SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_020173663.1 NCBI__GCF_000385335.1:WP_020173663.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

P07003 Pyruvate dehydrogenase [ubiquinone]; Pyruvate oxidase; POX; Pyruvate:ubiquinone-8 oxidoreductase; EC 1.2.5.1 from Escherichia coli (strain K12) (see 4 papers)
62% identity, 100% coverage: 2:576/576 of query aligns to 3:572/572 of P07003

query
sites
P07003

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R

E50 (= E49) binding thiamine diphosphate
183:334 (vs. 184:336, 58% identical) FAD-binding domain
S210 (= S211) binding FAD
LR 234:235 (≠ LK 235:236) binding FAD
TGLI 251:254 (= TGLI 252:255) binding FAD
TQFPY 274:278 (≠ TDFPY 275:279) binding FAD
D292 (= D294) binding FAD
S297 (≠ Q299) binding FAD
DI 311:312 (≠ EV 313:314) binding FAD
335:530 (vs. 337:534, 62% identical) PP-binding domain
T382 (≠ L386) binding thiamine diphosphate
FN 403:404 (≠ FW 407:408) binding FAD
GSM 406:408 (= GSM 410:412) binding thiamine diphosphate
D433 (= D437) binding Mg(2+)
DGG 433:435 (= DGG 437:439) binding thiamine diphosphate
N460 (= N464) binding Mg(2+)
460:466 (vs. 464:470, 71% identical) binding thiamine diphosphate
V462 (≠ T466) binding Mg(2+)
F465 (= F469) Moves into active site upon enzyme activation, plays a role in electron transfer
531:572 (vs. 535:576, 64% identical) Membrane-binding domain
A533 (= A537) mutation to T: In poxB11; poor activity in vivo, no longer activated by lipids.
YM 549:550 (≠ YT 553:554) In vitro cleavage to yield alpha-peptide
549:572 (vs. 553:576, 58% identical) mutation Missing: In poxB6. Inactive in vivo, does not complement inactive mutants. Active in vitro, no longer activated by nor binds to, detergents.
A553 (= A557) mutation to V: In poxB14; poor activity in vivo, no longer activated by lipids.
D560 (= D564) mutation to P: In poxB15; normal activity.
E564 (= E568) mutation to P: In poxB16; loss of activity, weakly activated by cleavage.
564:572 (vs. 568:576, 67% identical) mutation Missing: In poxB7 Inactive in vivo, reduced activity in vitro.
WLR 570:572 (≠ LWR 574:576) mutation Missing: In poxB8; reduced activity in vitro, not activated by lipids.
R572 (= R576) mutation to G: In poxB10; reduced activity in vivo and in vitro; may interact less with membranes.

Sites not aligning to the query:

1:182 Pyr domain

3ey9A Structural basis for membrane binding and catalytic activation of the peripheral membrane enzyme pyruvate oxidase from escherichia coli (see paper)
62% identity, 100% coverage: 2:576/576 of query aligns to 2:571/571 of 3ey9A

query
sites
3ey9A

K

Q

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T

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G

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G

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Y

V

L

A

A

K

Q

A

Q

I

I

S

S

D

H

F

F

A

A

S

A

V

D

D

D

A

A

I

I

F

F

T

T

C

C

D

D

V
|
V

G
|
G

L
x
T

P
|
P

T
|
T

V

V

W

W

A

A

R

R

Y

Y

L

L

A

K

M

M

N

N

G

G

A

K

R

R

L

L

I

L

G

G

S

S

F
|
F

W
x
N

H

H

G
|
G

S

S

M
|
M

A

A

N

N

A

A

M

M

A

P

Q

Q

A

A

I

L

G

G

A

A

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Q

A

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F

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P

P

N

E

R

R

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Q

V

V

I

V

S

A

L

M

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C

G
|
G

D
|
D

G
|
G

F

F

A

S

M

M

L

L

M

M

G

G

D

D

F

F

L

L

S

S

L

V

A

V

Q

Q

L

M

G

K

L

L

P

P

V

V

K

K

I

I

V

V

F

F

N

N

N
|
N

G

S

T
x
V

L
|
L

G
|
G

F
|
F

V
|
V

E

A

L

M

E
|
E

Q

M

K

K

S

A

T

G

G

G

F

Y

I

L

D

T

F

D

G

G

T

T

G

E

F

L

K

H

N

D

P

T

N

N

F

F

A

A

A

R

M

I

A

A

E

E

A

A

A

C

G

G

I

I

K

T

G

G

I

I

R

R

I

V

E

E

D

K

A

A

G

S

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V

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D

P

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G

A

I

L

K

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A

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A

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A

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I

N

D

G

G

P

P

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V

L

L

V

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D

D

A

V

V

V

N

A

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x
K

Q

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E

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L

A

A

I

I

P

P

K

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I

I

T

K

A

L

E

E

M

Q

A

A

K

K

G

G

F

F

T

S

L

L

Y
|
Y

T

M

L

L

K

R

A

A

V

I

I

I

G

S

G

G

K

R

V

G

D

D

E

E

V

V

L

I

E

E

L

L

A

A

R

K

T

T

N

N

L

W

W

L

R

R

active site: V23 (≠ I23), G25 (= G25), D26 (= D26), S27 (= S27), L28 (= L28), E49 (= E49), S72 (= S72), F111 (= F111), Q112 (= Q112), G160 (= G160), L252 (= L254), A279 (≠ Q281), V379 (= V384), G405 (= G410), M407 (= M412), D432 (= D437), N459 (= N464), V461 (≠ T466), L462 (= L467), F464 (= F469), V465 (= V470), E468 (= E473), K528 (≠ R533)
binding flavin-adenine dinucleotide: G208 (= G210), S209 (= S211), G210 (= G212), A232 (= A234), L233 (= L235), R234 (≠ K236), T250 (= T252), G251 (= G253), I253 (= I255), G272 (= G274), T273 (= T275), Q274 (≠ D276), F275 (= F277), Y277 (= Y279), D291 (= D294), I292 (= I295), S296 (≠ Q299), G309 (= G312), D310 (≠ E313), I311 (≠ V314), T383 (= T388), F402 (= F407), N403 (≠ W408), Y548 (= Y553)
binding magnesium ion: D432 (= D437), N459 (= N464)
binding thiamine diphosphate: T24 (≠ V24), E49 (= E49), S72 (= S72), G76 (= G76), H79 (= H79), G380 (= G385), T381 (≠ L386), P382 (= P387), M407 (= M412), G431 (= G436), D432 (= D437), G433 (= G438), G434 (= G439), N459 (= N464), V461 (≠ T466), L462 (= L467), G463 (= G468)

9ev3A Corynebacterium glutamicum pyruvate:quinone oxidoreductase (pqo) purified from bacteria grown in acetate minimal medium (see paper)
47% identity, 99% coverage: 3:574/576 of query aligns to 3:572/577 of 9ev3A

query
sites
9ev3A

T

S

V

Y

A

A

D

E

Q

Q

F

L

A

I

E

D

V

T

L

L

A

E

A

A

A

Q

G

G

V

V

Q

K

R

R

I

I

Y

Y

G

G

I

L

V

V

G

G

D

D

S

S

L

L

N

N

G

P

F

I

T

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D

D

A

A

I

V

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R

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-

Q

Q

G

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K

D

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W

W

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H

H

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V

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R

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N

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A

A

F

F

A

A

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G

A

A

E

E

A

S

H

L

L

I

T

T

G

G

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L

L

A

A

V

V

C

C

A

A

G

A

S

S

C

C

G

G

P

P

G

G

N

N

L

T

H

H

L

L

I

I

N

Q

G

G

L

L

F

Y

D

D

C

S

H

H

R

R

S

N

R

G

V

A

P

K

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V

L

L

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A

I

I

A

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H

H

I

I

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P

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A

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I

I

G

G

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G

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Y

F

F

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Q

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T

T

H

H

P

P

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N

I

L

L

F

F

K

K

E

E

C

C

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Y

Y

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C

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H

I

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N

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N

A

A

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T

L

L

L

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C

C

G
|
G

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A

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G

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A

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A

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x
G

G

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N

N

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V

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M

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G

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x
L

G

G

F

Y

S

G

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A

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C

Y

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D

A

A

M

S

N

N

D

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C

A

D

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A

L

L

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M

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Y

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A

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N

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I

G

G

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N

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M

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M

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K

Q

L

L

H

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L

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L

K

K

I

A

V

V

F

F

N

N

N
|
N

G

S

T
x
S

L
|
L

G
|
G

F
x
M

V
|
V

E

K

L

L

E

E

Q

M

K

L

S

V

T

E

G

G

F

Q

I

P

D

E

F

F

G

G

T

T

G

D

F

H

K

E

N

E

P

V

N

N

F

F

A

A

A

E

M

I

A

A

E

A

A

A

G

G

I

I

K

K

G

S

I

V

R

R

I

I

E

T

D

D

A

P

G

K

E

K

V

V

E

R

P

E

G

Q

I

L

K

A

A

E

A

A

L

L

A

A

H

Y

N

P

G

G

P

P

V

V

L

L

V

I

D

D

A

I

V

V

V

T

N

D

R

P

Q

N

E

A

L

L

A

S

I

I

P

P

K

T

I

I

T

T

A

W

E

E

M

Q

A

V

K

M

G

G

F

F

T

S

L

K

Y

A

T

A

L

T

K

R

A

T

V

V

I

F

G

G

K

G

V

V

D

G

E

A

V

M

L

I

E

D

L

L

A

A

R

R

T

S

N

N

L

I

binding flavin-adenine dinucleotide: G208 (= G210), G210 (= G212), A232 (= A234), L233 (= L235), G234 (≠ K236), G251 (= G253), L253 (≠ I255), G272 (= G274), T273 (= T275), D274 (= D276), F275 (= F277), P276 (= P278), Y277 (= Y279), D290 (= D294), I291 (= I295), H295 (≠ Q299), D309 (≠ E313), V310 (= V314), N385 (≠ T388), F405 (= F407), R406 (≠ W408)
binding magnesium ion: D435 (= D437), N462 (= N464), S464 (≠ T466)
binding thiamine diphosphate: G382 (= G385), M383 (≠ L386), M410 (= M412), G434 (= G436), D435 (= D437), G436 (= G438), G437 (= G439), M440 (= M442), S464 (≠ T466), L465 (= L467), G466 (= G468), M467 (≠ F469), V468 (= V470)

9ev4A Pyruvate:quinone oxidoreductase (pqo) from corynebacterium glutamicum cs176 (see paper)
45% identity, 99% coverage: 2:574/576 of query aligns to 1:549/553 of 9ev4A

query
sites
9ev4A

K

R

T

S

V

Y

A

A

D

E

Q

Q

F

L

A

I

E

D

V

T

L

L

A

E

A

A

A

Q

G

G

V

V

Q

K

R

R

I

I

Y

Y

G

G

I

L

V

V

G

G

D

D

S

S

L

L

N

N

G

P

F

I

T

V

D

D

A

A

I

V

R

R

R

Q

Q

S

G

G

K

-

I

I

Q

E

W

W

L

V

H

H

V

V

R

R

H

N

E

E

V

A

A

A

F

F

A

A

S

G

A

A

E

E

A

S

H

L

L

I

T

T

G

G

S

E

L

L

A

A

V

V

C

C

A

A

G

A

S

S

C

C

G

G

P

P

G

G

N

N

L

T

H

H

L

L

I

I

N

Q

G

G

L

L

F

Y

D

D

C

S

H

H

R

R

S

N

R

G

V

A

P

K

V

V

L

L

A

A

I

I

A

A

A

S

H

H

I

I

P

P

S

S

A

A

E

Q

I

I

G

G

S

S

G

T

Y

F

F

F

Q

Q

E

E

T

T

H

H

P

P

E

E

N

I

L

L

F

F

K

K

E

E

C

C

S

S

H

G

Y

Y

C

C

E

E

L

M

I

V

S

N

S

G

P

G

S

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Q

Q

M

G

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R

V

I

V

L

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H

I

H

A

A

I

I

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M

G

A

K

G

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K

G

G

A

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A

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N

N

G

N

A

A

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V

T

T

L

L

L

F

C

C

G
|
G

S
x
A

G
|
G

C

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A

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N

A

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L

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K

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M

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H

H

A
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A

L
|
L

K
x
G

G

G

K

K

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Y

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I

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N

N

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V

G

G

M

M

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G
|
G

L

L

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x
L

G

G

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Y

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N

D

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C

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A

L

L

L

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M

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G
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G

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T

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D

F
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F

P

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Y
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Y

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P

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G

G

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G

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F

W
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R

H

H

G

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M

A

A

N

N

A

A

M

L

A

P

Q

H

A

A

I

I

G

G

A

A

Q

Q

A

S

T

V

F

D

P

R

N

N

R

R

Q

Q

V

V

I

I

S

A

L

M

S

C

G

G

D

D

G

G

F

L

A

G

M

M

L

L

M

L

G

G

D

E

F

L

L

L

S

T

L

V

A

K

Q

L

L

H

G

K

L

L

P

P

V

L

K

K

I

A

V

V

F

F

N

N

G

S

T

E

L

V

G

-

F

-

V

-

E

-

L

-

E

-

Q

-

K

-

S

-

T

-

G

-

F

-

I

-

D

-

F

-

G

-

T

-

G

-

F

-

K

-

N

-

P

-

N

N

F

F

A

A

A

D

M

I

A

A

E

A

A

A

G

G

I

I

K

K

G

S

I

V

R

R

I

I

E

T

D

D

A

P

G

T

E

K

V

V

E

R

P

E

G

Q

I

L

K

A

A

D

A

A

L

L

A

A

H

Y

N

P

G

G

P

P

V

V

L

L

V

I

D

D

A

I

V

V

V

T

N

D

R

P

Q

N

E

A

L

L

A

S

I

I

P

P

K

T

I

I

T

T

A

W

E

E

M

Q

A

V

K

M

G

G

F

F

T

S

L

K

Y

A

T

A

L

T

K

R

A

T

V

V

I

F

G

G

K

G

V

V

D

G

E

A

V

M

L

I

E

D

L

L

A

A

R

R

T

S

N

N

L

I

binding flavin-adenine dinucleotide: G207 (= G210), A208 (≠ S211), G209 (= G212), A231 (= A234), L232 (= L235), G233 (≠ K236), G250 (= G253), L252 (≠ I255), G271 (= G274), T272 (= T275), D273 (= D276), F274 (= F277), Y276 (= Y279), D289 (= D294), I290 (= I295), H294 (≠ Q299), D308 (≠ E313), V309 (= V314), N384 (≠ T388), F404 (= F407), R405 (≠ W408)

1v5gA Crystal structure of the reaction intermediate between pyruvate oxidase containing fad and tpp, and substrate pyruvate (see paper)
31% identity, 95% coverage: 10:557/576 of query aligns to 11:561/589 of 1v5gA

query
sites
1v5gA

E

K

V

I

L

L

A

E

A

S

A

W

G

G

V

A

Q

D

R

T

I

I

Y

Y

G

G

I

I

V

P

G

S

D

G

S

T

L

L

N

S

G

S

F

L

T

M

D

D

A

A

I

M

-

G

R

E

Q

E

G

N

K

N

I

V

Q

K

W

F

L

L

H

Q

V

V

R

K

H

H

E

E

V

V

A

G

A

A

F

M

A

A

S

V

A

M

E

Q

A

S

H

K

L

F

T

G

G

G

S

N

L

L

A

G

V

V

C

T

A

V

G

G

S

S

C

G

G

G

P

P

G

G

N

A

L

S

H

H

L

L

I

I

N

N

G

G

L

L

F

Y

D

D

C

A

H

A

R

M

S

D

R

N

V

I

P

P

V

V

L

V

A

A

I

I

A

L

A

G

H

S

I

R

P

P

S

Q

A

R

E

E

I

L

G

N

S

M

G

D

Y

A

F

F

Q

Q

E

E

T

L

H

N

P

Q

E

N

N

P

L

M

F

Y

K

D

E

H

C

I

S

A

H

V

Y

Y

C

N

E

R

L

R

I

V

S

A

S

Y

P

A

S

E

Q

Q

M

L

P

P

R

K

V

L

V

V

E

D

I

E

A

A

I

A

R

R

E

M

A

A

V

I

G

A

K

K

R

R

G

G

A

V

A

A

V

V

I

L

V

E

I

V

P

P

G

G

D

D

V

F

A

A

L

K

H

V

E

E

A

I

V

D

E

N

A

D

P

Q

V

W

P

Y

T

S

F

S

A

A

S

N

L

S

I

L

P

R

S

K

E

Y

P

A

V

P

V

I

V

A

P

P

K

A

E

A

A

Q

D

D

L

I

K

D

A

A

L

A

A

V

N

E

L

L

N

N

G

N

A

S

G

K

R

R

V

P

T

V

L

I

L

Y

C

A

G
|
G

S
x
I

G
|
G

C

T

A

M

G

G

A

H

H

G

S

P

Q

A

L

V

L

Q

A

E

L

L

G

A

E

R

K

K

L

I

K

K

A

A

P

P

M

V

V

I

H

T

A
x
T

L
x
G

K
|
K

G

N

K

F

E

E

Y

T

V

F

E

E

W

W

D

D

N

F

P

E

Y

A

D

L

V

T

G

G

M

S

T
|
T

G
x
Y

L
x
R

I
x
V

G

G

F

W

S

K

S

P

G

A

Y

N

F

E

A

T

M

I

N

L

D

E

C

A

D

D

A

T

L

V

L

L

M

F

L

A

G
|
G

T
x
S

D
x
N

F
|
F

P

P

Y
x
F

R

S

Q

E

F

V

Y

-

P

-

Q

E

G

G

T

T

A

F

K

R

-

N

-

V

-

D

-

N

I

F

A

I

Q

Q

I

I

D
|
D

I
|
I

R

D

P

P

E

A

Q
x
M

L

L

G

G

K

K

R

R

A

H

P

H

I

A

D

D

L

V

G

A

L

I

V

L

G

G

E
x
D

V
x
A

G

A

A

L

T

A

L

I

D

D

A

E

L

I

L

L

P

N

L

K

L

V

T

D

E

A

K

V

K

E

E

E

R

S

K

A

H

W

L

W

D

T

Q

A

A

N

I

L

G

K

H

N

Y

I

K

A

K

N

A

W

R

R

E

E

G

Y

L

I

D

N

E

M

L

L

A

E

K

T

G

K

V

E

P

E

G

G

K

D

R

L

L

Q

V

F

H

Y

P

-

Q

-

Q

Q

V

V

A

Y

K

N

A

A

I

I

S

N

D

N

F

H

A

A

S

D

V

E

D

D

A

A

I

I

F

Y

T

S

C

I

D

D

V
|
V

G

G

L
x
N

P

S

T

T

V

Q

W

T

A

S

A

I

R

R

Y

H

L

L

A

H

M

M

N

T

G

P

A

K

R

N

R

M

L

W

I

R

G

T

S

S

F
x
P

W

L

H

F

G

A

S

T

M
|
M

A

G

N

I

A

A

M

I

A

P

Q

G

A

G

I

L

G

G

A

A

Q

K

A

N

T

T

F

Y

P

P

N

D

R

R

Q

Q

V

V

I

W

S

N

L

I

S

I

G
|
G

D
|
D

G
|
G

G
x
A

F

F

A

S

M

M

L

T

M

Y

G

P

D

D

F

V

L

V

S

T

L

N

A

V

Q

R

L

Y

G

N

L

M

P

P

V

V

K

I

I

N

V

V

F

F

N

S

N
|
N

G

T

T
x
E

L
x
Y

G
x
A

F
|
F

V
x
I

E

K

L

N

E

K

Q

Y

K

E

S

D

T

T

G

N

F

K

I

N

D

L

F

F

G

G

T

V

G

D

F

F

K

T

N

D

P

V

N

D

F

Y

A

A

A

K

M

I

A

A

E

E

A

A

A

Q

G

G

I

A

K

K

G

G

I

F

-

T

-

V

-

S

R

R

I

I

E

E

D

D

A

M

G

D

E

R

V

V

E

M

P

A

G

E

I

A

K

V

A

A

L

N

A

K

H

A

N

G

G

H

P

T

V

V

L

V

V

I

D

D

A

C

V

K

V

I

N

T

R

-

Q

Q

E

D

L

R

A

P

I

I

P

P

P

V

K

E

I

T

T

L

A

K

E

L

M

D

A

S

K

K

G

L

F

Y

T

S

L

E

Y

D

T

E

L

I

K

K

A

A

binding flavin-adenine dinucleotide: G212 (= G210), I213 (≠ S211), G214 (= G212), T236 (≠ A234), G237 (≠ L235), K238 (= K236), T254 (= T252), Y255 (≠ G253), R256 (≠ L254), V257 (≠ I255), G276 (= G274), S277 (≠ T275), N278 (≠ D276), F279 (= F277), F281 (≠ Y279), D298 (= D294), I299 (= I295), M303 (≠ Q299), D317 (≠ E313), A318 (≠ V314), P409 (≠ F407)
binding 2-acetyl-thiamine diphosphate: V386 (= V384), N388 (≠ L386), M414 (= M412), G438 (= G436), G440 (= G438), A441 (≠ G439), N466 (= N464), E468 (≠ T466), Y469 (≠ L467), A470 (≠ G468), F471 (= F469), I472 (≠ V470)
binding magnesium ion: D439 (= D437), N466 (= N464), E468 (≠ T466)

1v5fA Crystal structure of pyruvate oxidase complexed with fad and tpp, from aerococcus viridans (see paper)
31% identity, 95% coverage: 10:557/576 of query aligns to 11:561/589 of 1v5fA

query
sites
1v5fA

E

K

V

I

L

L

A

E

A

S

A

W

G

G

V

A

Q

D

R

T

I

I

Y

Y

G

G

I

I

V

P

G

S

D

G

S

T

L

L

N

S

G

S

F

L

T

M

D

D

A

A

I

M

-

G

R

E

Q

E

G

N

K

N

I

V

Q

K

W

F

L

L

H

Q

V

V

R

K

H

H

E

E

V

V

A

G

A

A

F

M

A

A

S

V

A

M

E

Q

A

S

H

K

L

F

T

G

G

G

S

N

L

L

A

G

V

V

C

T

A

V

G

G

S

S

C

G

G

G

P

P

G

G

N

A

L

S

H

H

L

L

I

I

N

N

G

G

L

L

F

Y

D

D

C

A

H

A

R

M

S

D

R

N

V

I

P

P

V

V

L

V

A

A

I

I

A

L

A

G

H

S

I

R

P

P

S

Q

A

R

E

E

I

L

G

N

S

M

G

D

Y

A

F

F

Q

Q

E

E

T

L

H

N

P

Q

E

N

N

P

L

M

F

Y

K

D

E

H

C

I

S

A

H

V

Y

Y

C

N

E

R

L

R

I

V

S

A

S

Y

P

A

S

E

Q

Q

M

L

P

P

R

K

V

L

V

V

E

D

I

E

A

A

I

A

R

R

E

M

A

A

V

I

G

A

K

K

R

R

G

G

A

V

A

A

V

V

I

L

V

E

I

V

P

P

G

G

D

D

V

F

A

A

L

K

H

V

E

E

A

I

V

D

E

N

A

D

P

Q

V

W

P

Y

T

S

F

S

A

A

S

N

L

S

I

L

P

R

S

K

E

Y

P

A

V

P

V

I

V

A

P

P

K

A

E

A

A

Q

D

D

L

I

K

D

A

A

L

A

A

V

N

E

L

L

N

N

G

N

A

S

G

K

R

R

V

P

T

V

L

I

L

Y

C

A

G
|
G

S
x
I

G
|
G

C

T

A

M

G

G

A

H

H

G

S

P

Q

A

L

V

L

Q

A

E

L

L

G

A

E

R

K

K

L

I

K

K

A

A

P

P

M

V

V

I

H

T

A
x
T

L
x
G

K
|
K

G

N

K

F

E

E

Y

T

V

F

E

E

W

W

D

D

N

F

P

E

Y

A

D

L

V

T

G

G

M

S

T
|
T

G
x
Y

L
x
R

I
x
V

G

G

F

W

S

K

S

P

G

A

Y

N

F

E

A

T

M

I

N

L

D

E

C

A

D

D

A

T

L

V

L

L

M

F

L

A

G
|
G

T
x
S

D
x
N

F
|
F

P
|
P

Y
x
F

R

S

Q

E

F

V

Y

-

P

-

Q

E

G

G

T

T

A

F

K

R

-

N

-

V

-

D

-

N

I

F

A

I

Q

Q

I

I

D
|
D

I
|
I

R

D

P

P

E

A

Q
x
M

L

L

G

G

K

K

R

R

A

H

P

H

I

A

D

D

L

V

G

A

L

I

V

L

G

G

E
x
D

V
x
A

G

A

A

L

T

A

L

I

D

D

A

E

L

I

L

L

P

N

L

K

L

V

T

D

E

A

K

V

K

E

E

E

R

S

K

A

H

W

L

W

D

T

Q

A

A

N

I

L

G

K

H

N

Y

I

K

A

K

N

A

W

R

R

E

E

G

Y

L

I

D

N

E

M

L

L

A

E

K

T

G

K

V

E

P

E

G

G

K

D

R

L

L

Q

V

F

H

Y

P

-

Q

-

Q

Q

V

V

A

Y

K

N

A

A

I

I

S

N

D

N

F

H

A

A

S

D

V

E

D

D

A

A

I

I

F

Y

T

S

C

I

D

D

V

V

G

G

L
x
N

P
x
S

T

T

V

Q

W

T

A

S

A

I

R

R

Y

H

L

L

A

H

M

M

N

T

G

P

A

K

R

N

R

M

L

W

I

R

G

T

S

S

F
x
P

W

L

H

F

G

A

S

T

M
|
M

A

G

N

I

A

A

M

I

A

P

Q

G

A

G

I

L

G

G

A

A

Q

K

A

N

T

T

F

Y

P

P

N

D

R

R

Q

Q

V

V

I

W

S

N

L

I

S

I

G
|
G

D
|
D

G
|
G

G

A

F

F

A

S

M

M

L

T

M

Y

G

P

D

D

F

V

L

V

S

T

L

N

A

V

Q

R

L

Y

G

N

L

M

P

P

V

V

K

I

I

N

V

V

F

F

N

S

N
|
N

G

T

T

E

L
x
Y

G
x
A

F
|
F

V
x
I

E

K

L

N

E

K

Q

Y

K

E

S

D

T

T

G

N

F

K

I

N

D

L

F

F

G

G

T

V

G

D

F

F

K

T

N

D

P

V

N

D

F

Y

A

A

A

K

M

I

A

A

E

E

A

A

A

Q

G

G

I

A

K

K

G

G

I

F

-

T

-

V

-

S

R

R

I

I

E

E

D

D

A

M

G

D

E

R

V

V

E

M

P

A

G

E

I

A

K

V

A

A

L

N

A

K

H

A

N

G

G

H

P

T

V

V

L

V

V

I

D

D

A

C

V

K

V

I

N

T

R

-

Q

Q

E

D

L

R

A

P

I

I

P

P

P

V

K

E

I

T

T

L

A

K

E

L

M

D

A

S

K

K

G

L

F

Y

T

S

L

E

Y

D

T

E

L

I

K

K

A

A

binding flavin-adenine dinucleotide: G212 (= G210), I213 (≠ S211), G214 (= G212), T236 (≠ A234), G237 (≠ L235), K238 (= K236), T254 (= T252), Y255 (≠ G253), R256 (≠ L254), V257 (≠ I255), G276 (= G274), S277 (≠ T275), N278 (≠ D276), F279 (= F277), P280 (= P278), F281 (≠ Y279), D298 (= D294), I299 (= I295), M303 (≠ Q299), D317 (≠ E313), A318 (≠ V314), P409 (≠ F407)
binding magnesium ion: D439 (= D437), N466 (= N464)
binding thiamine diphosphate: N388 (≠ L386), S389 (≠ P387), M414 (= M412), G438 (= G436), G440 (= G438), N466 (= N464), Y469 (≠ L467), A470 (≠ G468), F471 (= F469), I472 (≠ V470)

2djiA Crystal structure of pyruvate oxidase from aerococcus viridans containing fad (see paper)
31% identity, 95% coverage: 10:557/576 of query aligns to 12:562/590 of 2djiA

query
sites
2djiA

E

K

V

I

L

L

A

E

A

S

A

W

G

G

V

A

Q

D

R

T

I

I

Y

Y

G

G

I
|
I

V

P

G
x
S

D
x
G

S
x
T

L
|
L

N

S

G

S

F

L

T

M

D

D

A

A

I

M

-

G

R

E

Q

E

G

N

K

N

I

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K

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F

L

L

H

Q

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V

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H

H

E
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E

E

E

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V

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G

A

A

F

M

A

A

S

V

A

M

E

Q

A

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H

K

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F

T

G

G

G

S

N

L

L

A

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A

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S
|
S

C

G

G

G

P

P

G

G

N

A

L

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H

H

L

L

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I

N

N

G

G

L

L

F

Y

D

D

C

A

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A

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M

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N

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P

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A

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A

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A

R

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E

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|
F

Q
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Q

E

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E

N

N

P

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M

F

Y

K

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C

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A

H

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Y

Y

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A

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Y

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A

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I

E

A

A

I

A

R

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M

A

A

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A

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K

R

R

G

G

A

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A

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G
|
G

D

D

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F

A

A

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E

A

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D

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N

A

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A

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A

E

A

A

Q

D

D

L

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D

A

A

L

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E

L

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N

G

N

A

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G

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x
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G

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A

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A

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K

G

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T

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x
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x
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A

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D

A

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G

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x
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x
N

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P

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x
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Q
x
E

F

V

Y

-

P

-

Q

E

G

G

T

T

A

F

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R

-

N

-

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-

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F

A

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D

I
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I

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M

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A

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A

D

D

L

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x
A

G

A

A

L

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A

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D

A

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L

I

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N

L

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A

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W

D

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A

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Y

I

K

A

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N

A

W

R

R

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E

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Y

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M

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G

G

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L

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F

H

Y

P

-

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-

Q

Q

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A

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N

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H

A

A

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D

D

A

A

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V

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G

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x
P

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x
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M

A

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I

A

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A

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G

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M

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I

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x
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x
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G

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|
F

V
x
I

E

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E
x
K

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Y

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E

S

D

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G

N

F

K

I

N

D

L

F

F

G

G

T

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G

D

F

F

K

T

N

D

P

V

N

D

F

Y

A

A

A

K

M

I

A

A

E

E

A

A

A

Q

G

G

I

A

K

K

G

G

I

F

-

T

-

V

-

S

R

R

I

I

E

E

D

D

A

M

G

D

E

R

V

V

E

M

P

A

G

E

I

A

K

V

A

A

L

N

A

K

H

A

N

G

G

H

P

T

V

V

L

V

V

I

D

D

A

C

V

K

V

I

N

T

R

-

Q
|
Q

E

D

L

R

A

P

I

I

P

P

P

V

K

E

I

T

T

L

A

K

E

L

M

D

A

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K

G

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T

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A

A

active site: I25 (= I23), S27 (≠ G25), G28 (≠ D26), T29 (≠ S27), L30 (= L28), E52 (= E49), S75 (= S72), F114 (= F111), Q115 (= Q112), G163 (= G160), R257 (≠ L254), E284 (≠ Q281), V387 (= V384), A413 (≠ G410), M415 (= M412), D440 (= D437), N467 (= N464), E469 (≠ T466), Y470 (≠ L467), F472 (= F469), I473 (≠ V470), K476 (≠ E473), Q539 (= Q534)
binding flavin-adenine dinucleotide: G213 (= G210), I214 (≠ S211), G215 (= G212), T237 (≠ A234), G238 (≠ L235), K239 (= K236), T255 (= T252), Y256 (≠ G253), R257 (≠ L254), V258 (≠ I255), G277 (= G274), S278 (≠ T275), N279 (≠ D276), F280 (= F277), P281 (= P278), F282 (≠ Y279), D299 (= D294), I300 (= I295), M304 (≠ Q299), D318 (≠ E313), A319 (≠ V314), P410 (≠ F407)

4feeA High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal b (see paper)
32% identity, 91% coverage: 10:531/576 of query aligns to 11:536/586 of 4feeA

query
sites
4feeA

E

K

V

V

L

L

A

E

A

A

A

W

G

G

V

V

Q

D

R

H

I

L

Y

Y

G

G

I

I

V

P

G

G

D

G

S

S

L

I

N

N

G

S

F

I

T

M

D

D

A

A

I

L

R

S

-

A

R

E

Q

R

G

D

K

R

I

I

Q

H

W

Y

L

I

H

Q

V

V

R

R

H

H

E

E

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V

A

G

A

A

F

M

A

A

S

A

A

A

E

D

A

A

H

K

L

L

T

T

G

G

S

K

L

I

A

G

V

V

C

C

A

F

G

G

S

S

C

A

G

G

P

P

G

G

N

G

L

T

H

H

L

L

I

M

N

N

G

G

L

L

F

Y

D

D

C

A

H

R

R

E

S

D

R
x
H

V

V

P

P

V

V

L

L

A

A

I

L

A

I

A

G

H

Q

I

F

P

G

S

T

A

T

E

G

I

M

G

N

S

M

G

D

Y

T

F

F

Q

Q

E

E

T

M

H

N

P

E

E

N

N

P

L

I

F

Y

K

A

E

D

C

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S

A

H

D

Y

Y

C

N

E

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D

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A

A

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I

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A

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A

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I

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D

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-

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A

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-

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-

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L

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A

A

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C

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G

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G

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A

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G

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x
F

R

A

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E

F

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Y

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-

A

-

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K

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G

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D

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L

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G

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D

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A

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E

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A

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Q

Q

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V

A

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A

A

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A

A

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D

A

A

I

I

F

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V

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x
D

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x
N

V

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A

A

A

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G

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A

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L

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A

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Q

L

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L

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P

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I

I

N

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V

F

F

N

T

N
|
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G

C

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x
Q

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x
Y

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G

F
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F

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x
I

E

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L

D

E

E

Q

Q

K

E

S

D

T

T

G

N

F

Q

I

N

D

D

F

F

-

I

G

G

T

V

G

E

F

F

K

N

N

D

P

I

N

D

F

F

A

S

A

K

M

I

A

A

E

D

A

G

A

V

G

H

I

M

K

Q

G

A

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F

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R

I

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E

N

D

K

A

I

G

E

E

Q

V

L

E

-

P

P

G

D

I

V

-

F

-

E

-

Q

K

A

A

K

A

A

L

I

A

A

H

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H

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E

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P

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V

L

L

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D

A

A

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I

binding flavin-adenine dinucleotide: H93 (≠ R91), G212 (= G210), I213 (≠ S211), G214 (= G212), T236 (≠ A234), Y237 (≠ L235), P238 (≠ K236), A254 (≠ T252), N255 (≠ G253), V257 (≠ I255), G276 (= G274), N277 (≠ T275), N278 (≠ D276), P280 (= P278), F281 (≠ Y279), D298 (= D294), I299 (= I295), K303 (≠ Q299), D317 (≠ E313), A318 (≠ V314), N390 (≠ T388), N409 (≠ F407)
binding magnesium ion: D439 (= D437), N466 (= N464), Q468 (≠ T466)
binding pyruvic acid: N255 (≠ G253), R256 (≠ L254)
binding 2-[(2e)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyltrihydrogen diphosphate: V386 (= V384), D388 (≠ L386), A412 (≠ G410), M414 (= M412), G438 (= G436), G440 (= G438), N466 (= N464), Q468 (≠ T466), Y469 (≠ L467), G470 (= G468), F471 (= F469), I472 (≠ V470)

Sites not aligning to the query:

binding pyruvic acid: 547, 549, 550, 553, 554

1powA The refined structures of a stabilized mutant and of wild-type pyruvate oxidase from lactobacillus plantarum (see paper)
32% identity, 91% coverage: 10:531/576 of query aligns to 11:536/585 of 1powA

query
sites
1powA

E

K

V

V

L

L

A

E

A

A

A

W

G

G

V

V

Q

D

R

H

I

L

Y

Y

G

G

I
|
I

V

P

G
|
G

D
x
G

S
|
S

L
x
I

N

N

G

S

F

I

T

M

D

D

A

A

I

L

R

S

-

A

R

E

Q

R

G

D

K

R

I

I

Q

H

W

Y

L

I

H

Q

V

V

R

R

H

H

E
|
E

E

E

V

V

A

G

A

A

F

M

A

A

S

A

A

A

E

D

A

A

H

K

L

L

T

T

G

G

S

K

L

I

A

G

V

V

C

C

A

F

G

G

S
|
S

C

A

G

G

P

P

G

G

N

G

L

T

H

H

L

L

I

M

N

N

G

G

L

L

F

Y

D

D

C

A

H

R

R

E

S

D

R
x
H

V

V

P

P

V

V

L

L

A

A

I

L

A

I

A

G

H

Q

I

F

P

G

S

T

A

T

E

G

I

M

G

N

S

M

G

D

Y

T

F
|
F

Q
|
Q

E
|
E

T

M

H

N

P

E

E

N

N

P

L

I

F

Y

K

A

E

D

C

V

S

A

H

D

Y

Y

C

N

E

V

L

T

I

A

S

V

S

N

P

A

S

A

Q

T

M

L

P

P

R

H

V

V

V

I

E

D

I

E

A

A

I

I

R

R

E

R

A

A

V

Y

G

A

K

H

R

Q

G

G

A

V

A

A

V

V

I

V

V

Q

I

I

P

P

G
x
V

D

D

V

L

A

P

L

W

H

Q

E

Q

A

-

V

-

E

-

A

-

P

-

V

I

P

P

T

A

-

E

-

D

-

W

F

Y

A

A

S

S

L

A

I

N

P

S

S

Y

E

Q

P

T

V

P

V

L

P

P

K

-

E

E

A

P

D

D

L

V

K

Q

A

A

L

V

A

T

N

R

L

L

-

T

-

Q

-

T

L

L

N

L

G

A

A

A

G

E

R

R

V

P

T

L

L

I

L

Y

C

Y

G
|
G

S
x
I

G
|
G

C

A

A

R

G

K

A

A

H

G

S

K

Q

E

L

L

L

E

A

Q

L

L

G

S

E

K

K

T

L

L

K

K

A

I

P

P

M

L

V

M

H

S

A
x
T

L
x
Y

K

P

G

A

K

K

E

G

Y

I

V

V

E

A

W

D

D

R

N

Y

P

P

Y

A

D

Y

V

L

G

G

M

S

T
x
A

G

N

L
x
R

I
x
V

G

A

F

Q

S

K

S

P

G

A

Y

N

F

E

A

A

M

L

N

A

D

Q

C

A

D

D

A

V

L

V

L

L

M

F

L

V

G
|
G

T
x
N

D
x
N

F
x
Y

P
|
P

Y
x
F

R

A

Q
x
E

F

V

Y

S

P

K

-

A

-

F

Q

K

G

N

T

T

A

R

K

Y

I

F

A

L

Q

Q

I

I

D
|
D

I
|
I

R

D

P

P

E

A

Q
x
K

L

L

G

G

K

K

R

R

A

H

P

K

I

T

D

D

L

I

G

A

L

V

V

L

G

A

E
x
D

V
x
A

G

Q

A

K

T

T

L

L

D

A

A

A

L

I

L

L

P

A

L

Q

L

V

T

S

E

E

K

R

K

E

E

S

R

T

K

P

H

W

L

W

D

Q

Q

A

A

N

I

L

G

A

H

N

Y

V

K

K

K

N

A

W

R

R

E

A

G

Y

L

L

D

A

E

S

L

L

A

E

K

D

G

K

V

Q

P

E

G

G

K

P

R

-

L

-

V

L

H

Q

P

A

Q

Y

Q

Q

V

V

A

L

K

R

A

A

I

V

S

N

D

K

F

I

A

A

S

E

V

P

D

D

A

A

I

I

F

Y

T

S

C

I

D

D

V
|
V

G

G

L
x
D

P

I

T

N

V

L

W

N

A

A

A

N

R

R

Y

H

L

L

A

K

M

L

N

T

G

P

A

S

R

N

R

R

L

H

I

I

G

T

S

S

F
x
N

W

L

H

F

G
x
A

S

T

M
|
M

A

G

N

V

A

G

M

I

A

P

Q

G

A

A

I

I

G

A

A

A

Q

K

A

L

T

N

F

Y

P

P

N

E

R

R

Q

Q

V

V

I

F

S

N

L

L

S

A

G

G

D
|
D

G
|
G

G

G

F

A

A

S

M

M

L

T

M

M

G

Q

D

D

F

L

L

A

S

T

L

Q

A

V

Q

Q

L

Y

G

H

L

L

P

P

V

V

K

I

I

N

V

V

F

F

N

T

N
|
N

G

C

T
x
Q

L
x
Y

G
|
G

F
|
F

V
x
I

E

K

L

D

E
|
E

Q

Q

K

E

S

D

T

T

G

N

F

Q

I

N

D

D

F

F

-

I

G

G

T

V

G

E

F

F

K

N

N

D

P

I

N

D

F

F

A

S

A

K

M

I

A

A

E

D

A

G

A

V

G

H

I

M

K

Q

G

A

I

F

R

R

I

V

E

N

D

K

A

I

G

E

E

Q

V

L

E

-

P

P

G

D

I

V

-

F

-

E

-

Q

K

A

A

K

A

A

L

I

A

A

H

Q

N

H

G

E

P

P

V

V

L

L

V

I

D

D

A

A

V

V

V

I

active site: I24 (= I23), G26 (= G25), G27 (≠ D26), S28 (= S27), I29 (≠ L28), E51 (= E49), S74 (= S72), F113 (= F111), Q114 (= Q112), E115 (= E113), V162 (≠ G160), R256 (≠ L254), E283 (≠ Q281), V386 (= V384), A412 (≠ G410), M414 (= M412), D439 (= D437), N466 (= N464), Q468 (≠ T466), Y469 (≠ L467), F471 (= F469), I472 (≠ V470), E475 (= E473)
binding flavin-adenine dinucleotide: H93 (≠ R91), G212 (= G210), I213 (≠ S211), G214 (= G212), T236 (≠ A234), Y237 (≠ L235), A254 (≠ T252), V257 (≠ I255), G276 (= G274), N277 (≠ T275), N278 (≠ D276), Y279 (≠ F277), P280 (= P278), F281 (≠ Y279), D298 (= D294), I299 (= I295), K303 (≠ Q299), D317 (≠ E313), A318 (≠ V314), N409 (≠ F407)
binding magnesium ion: D439 (= D437), N466 (= N464), Q468 (≠ T466)
binding thiamine diphosphate: D388 (≠ L386), M414 (= M412), G440 (= G438), N466 (= N464), Q468 (≠ T466), Y469 (≠ L467), G470 (= G468), F471 (= F469), I472 (≠ V470)

Sites not aligning to the query:

active site: 538

2ezuA Pyruvate oxidase variant f479w in complex with reaction intermediate 2-acetyl-thiamin diphosphate (see paper)
32% identity, 91% coverage: 10:531/576 of query aligns to 11:536/585 of 2ezuA

query
sites
2ezuA

E

K

V

V

L

L

A

E

A

A

A

W

G

G

V

V

Q

D

R

H

I

L

Y

Y

G

G

I
|
I

V

P

G
|
G

D
x
G

S
|
S

L
x
I

N

N

G

S

F

I

T

M

D

D

A

A

I

L

R

S

-

A

R

E

Q

R

G

D

K

R

I

I

Q

H

W

Y

L

I

H

Q

V

V

R

R

H

H

E
|
E

E

E

V

V

A

G

A

A

F

M

A

A

S

A

A

A

E

D

A

A

H

K

L

L

T

T

G

G

S

K

L

I

A

G

V

V

C

C

A

F

G

G

S
|
S

C

A

G

G

P

P

G

G

N

G

L

T

H

H

L

L

I

M

N

N

G

G

L

L

F

Y

D

D

C

A

H

R

R

E

S

D

R
x
H

V

V

P

P

V

V

L

L

A

A

I

L

A

I

A

G

H

Q

I

F

P

G

S

T

A

T

E

G

I

M

G

N

S

M

G

D

Y

T

F
|
F

Q
|
Q

E
|
E

T

M

H

N

P

E

E

N

N

P

L

I

F

Y

K

A

E

D

C

V

S

A

H

D

Y

Y

C

N

E

V

L

T

I

A

S

V

S

N

P

A

S

A

Q

T

M

L

P

P

R

H

V

V

V

I

E

D

I

E

A

A

I

I

R

R

E

R

A

A

V

Y

G

A

K

H

R

Q

G

G

A

V

A

A

V

V

I

V

V

Q

I

I

P

P

G
x
V

D

D

V

L

A

P

L

W

H

Q

E

Q

A

-

V

-

E

-

A

-

P

-

V

I

P

P

T

A

-

E

-

D

-

W

F

Y

A

A

S

S

L

A

I

N

P

S

S

Y

E

Q

P

T

V

P

V

L

P

P

K

-

E

E

A

P

D

D

L

V

K

Q

A

A

L

V

A

T

N

R

L

L

-

T

-

Q

-

T

L

L

N

L

G

A

A

A

G

E

R

R

V

P

T

L

L

I

L

Y

C

Y

G
|
G

S
x
I

G
|
G

C

A

A

R

G

K

A

A

H

G

S

K

Q

E

L

L

L

E

A

Q

L

L

G

S

E

K

K

T

L

L

K

K

A

I

P

P

M

L

V

M

H

S

A
x
T

L
x
Y

K
x
P

G

A

K

K

E

G

Y

I

V

V

E

A

W

D

D

R

N

Y

P

P

Y

A

D

Y

V

L

G

G

M

S

T
x
A

G
x
N

L
x
R

I
x
V

G

A

F

Q

S

K

S

P

G

A

Y

N

F

E

A

A

M

L

N

A

D

Q

C

A

D

D

A

V

L

V

L

L

M

F

L

V

G
|
G

T
x
N

D
x
N

F

Y

P
|
P

Y
x
F

R

A

Q
x
E

F

V

Y

S

P

K

-

A

-

F

Q

K

G

N

T

T

A

R

K

Y

I

F

A

L

Q

Q

I

I

D
|
D

I
|
I

R

D

P

P

E

A

Q
x
K

L

L

G

G

K

K

R

R

A

H

P

K

I

T

D

D

L

I

G

A

L

V

V

L

G

A

E
x
D

V
x
A

G

Q

A

K

T

T

L

L

D

A

A

A

L

I

L

L

P

A

L

Q

L

V

T

S

E

E

K

R

K

E

E

S

R

T

K

P

H

W

L

W

D

Q

Q

A

A

N

I

L

G

A

H

N

Y

V

K

K

K

N

A

W

R

R

E

A

G

Y

L

L

D

A

E

S

L

L

A

E

K

D

G

K

V

Q

P

E

G

G

K

P

R

-

L

-

V

L

H

Q

P

A

Q

Y

Q

Q

V

V

A

L

K

R

A

A

I

V

S

N

D

K

F

I

A

A

S

E

V

P

D

D

A

A

I

I

F

Y

T

S

C

I

D

D

V
|
V

G

G

L
x
D

P

I

T

N

V

L

W

N

A

A

A

N

R

R

Y

H

L

L

A

K

M

L

N

T

G

P

A

S

R

N

R

R

L

H

I

I

G

T

S

S

F
x
N

W

L

H

F

G
x
A

S

T

M
|
M

A

G

N

V

A

G

M

I

A

P

Q

G

A

A

I

I

G

A

A

A

Q

K

A

L

T

N

F

Y

P

P

N

E

R

R

Q

Q

V

V

I

F

S

N

L

L

S

A

G
|
G

D
|
D

G
|
G

G

G

F

A

A

S

M

M

L

T

M

M

G

Q

D

D

F

L

L

A

S

T

L

Q

A

V

Q

Q

L

Y

G

H

L

L

P

P

V

V

K

I

I

N

V

V

F

F

N

T

N
|
N

G

C

T
x
Q

L
x
Y

G
|
G

F
x
W

V
x
I

E

K

L

D

E
|
E

Q

Q

K

E

S

D

T

T

G

N

F

Q

I

N

D

D

F

F

-

I

G

G

T

V

G

E

F

F

K

N

N

D

P

I

N

D

F

F

A

S

A

K

M

I

A

A

E

D

A

G

A

V

G

H

I

M

K

Q

G

A

I

F

R

R

I

V

E

N

D

K

A

I

G

E

E

Q

V

L

E

-

P

P

G

D

I

V

-

F

-

E

-

Q

K

A

A

K

A

A

L

I

A

A

H

Q

N

H

G

E

P

P

V

V

L

L

V

I

D

D

A

A

V

V

V

I

active site: I24 (= I23), G26 (= G25), G27 (≠ D26), S28 (= S27), I29 (≠ L28), E51 (= E49), S74 (= S72), F113 (= F111), Q114 (= Q112), E115 (= E113), V162 (≠ G160), R256 (≠ L254), E283 (≠ Q281), V386 (= V384), A412 (≠ G410), M414 (= M412), D439 (= D437), N466 (= N464), Q468 (≠ T466), Y469 (≠ L467), W471 (≠ F469), I472 (≠ V470), E475 (= E473)
binding flavin-adenine dinucleotide: H93 (≠ R91), G212 (= G210), I213 (≠ S211), G214 (= G212), T236 (≠ A234), Y237 (≠ L235), P238 (≠ K236), A254 (≠ T252), N255 (≠ G253), R256 (≠ L254), V257 (≠ I255), G276 (= G274), N277 (≠ T275), N278 (≠ D276), P280 (= P278), F281 (≠ Y279), D298 (= D294), I299 (= I295), K303 (≠ Q299), D317 (≠ E313), A318 (≠ V314), N409 (≠ F407)
binding 2-acetyl-thiamine diphosphate: V386 (= V384), D388 (≠ L386), M414 (= M412), G438 (= G436), G440 (= G438), N466 (= N464), Q468 (≠ T466), Y469 (≠ L467), G470 (= G468), W471 (≠ F469), I472 (≠ V470)
binding magnesium ion: D439 (= D437), N466 (= N464), Q468 (≠ T466)

Sites not aligning to the query:

active site: 538
binding pyruvic acid: 547, 549, 550, 554

2ez9A Pyruvate oxidase variant f479w in complex with reaction intermediate analogue 2-phosphonolactyl-thiamin diphosphate (see paper)
32% identity, 91% coverage: 10:531/576 of query aligns to 11:536/585 of 2ez9A

query
sites
2ez9A

E

K

V

V

L

L

A

E

A

A

A

W

G

G

V

V

Q

D

R

H

I

L

Y

Y

G

G

I
|
I

V

P

G
|
G

D
x
G

S
|
S

L
x
I

N

N

G

S

F

I

T

M

D

D

A

A

I

L

R

S

-

A

R

E

Q

R

G

D

K

R

I

I

Q

H

W

Y

L

I

H

Q

V

V

R

R

H

H

E
|
E

E

E

V

V

A

G

A

A

F

M

A

A

S

A

A

A

E

D

A

A

H

K

L

L

T

T

G

G

S

K

L

I

A

G

V

V

C

C

A

F

G

G

S
|
S

C

A

G

G

P

P

G

G

N

G

L

T

H

H

L

L

I

M

N

N

G

G

L

L

F

Y

D

D

C

A

H

R

R

E

S

D

R
x
H

V

V

P

P

V

V

L

L

A

A

I

L

A

I

A

G

H

Q

I

F

P

G

S

T

A

T

E

G

I

M

G

N

S

M

G

D

Y

T

F
|
F

Q
|
Q

E
|
E

T

M

H

N

P

E

E

N

N

P

L

I

F

Y

K

A

E

D

C

V

S

A

H

D

Y

Y

C

N

E

V

L

T

I

A

S

V

S

N

P

A

S

A

Q

T

M

L

P

P

R

H

V

V

V

I

E

D

I

E

A

A

I

I

R

R

E

R

A

A

V

Y

G

A

K

H

R

Q

G

G

A

V

A

A

V

V

I

V

V

Q

I

I

P

P

G
x
V

D

D

V

L

A

P

L

W

H

Q

E

Q

A

-

V

-

E

-

A

-

P

-

V

I

P

P

T

A

-

E

-

D

-

W

F

Y

A

A

S

S

L

A

I

N

P

S

S

Y

E

Q

P

T

V

P

V

L

P

P

K

-

E

E

A

P

D

D

L

V

K

Q

A

A

L

V

A

T

N

R

L

L

-

T

-

Q

-

T

L

L

N

L

G

A

A

A

G

E

R

R

V

P

T

L

L

I

L

Y

C

Y

G
|
G

S
x
I

G
|
G

C

A

A

R

G

K

A

A

H

G

S

K

Q

E

L

L

L

E

A

Q

L

L

G

S

E

K

K

T

L

L

K

K

A

I

P

P

M

L

V

M

H

S

A
x
T

L
x
Y

K
x
P

G

A

K

K

E

G

Y

I

V

V

E

A

W

D

D

R

N

Y

P

P

Y

A

D

Y

V

L

G

G

M

S

T
x
A

G
x
N

L
x
R

I
x
V

G

A

F

Q

S

K

S

P

G

A

Y

N

F

E

A

A

M

L

N

A

D

Q

C

A

D

D

A

V

L

V

L

L

M

F

L

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G
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G

T
x
N

D
x
N

F

Y

P
|
P

Y
x
F

R

A

Q
x
E

F

V

Y

S

P

K

-

A

-

F

Q

K

G

N

T

T

A

R

K

Y

I

F

A

L

Q

Q

I

I

D
|
D

I
|
I

R

D

P

P

E

A

Q
x
K

L

L

G

G

K

K

R

R

A

H

P

K

I

T

D

D

L

I

G

A

L

V

V

L

G

A

E
x
D

V
x
A

G

Q

A

K

T

T

L

L

D

A

A

A

L

I

L

L

P

A

L

Q

L

V

T

S

E

E

K

R

K

E

E

S

R

T

K

P

H

W

L

W

D

Q

Q

A

A

N

I

L

G

A

H

N

Y

V

K

K

K

N

A

W

R

R

E

A

G

Y

L

L

D

A

E

S

L

L

A

E

K

D

G

K

V

Q

P

E

G

G

K

P

R

-

L

-

V

L

H

Q

P

A

Q

Y

Q

Q

V

V

A

L

K

R

A

A

I

V

S

N

D

K

F

I

A

A

S

E

V

P

D

D

A

A

I

I

F

Y

T

S

C

I

D

D

V
|
V

G

G

L
x
D

P

I

T

N

V

L

W

N

A

A

A

N

R

R

Y

H

L

L

A

K

M

L

N

T

G

P

A

S

R

N

R

R

L

H

I

I

G

T

S

S

F
x
N

W

L

H

F

G
x
A

S

T

M
|
M

A

G

N

V

A

G

M

I

A

P

Q

G

A

A

I

I

G

A

A

A

Q

K

A

L

T

N

F

Y

P

P

N

E

R

R

Q

Q

V

V

I

F

S

N

L

L

S

A

G
|
G

D
|
D

G
|
G

G

G

F

A

A

S

M

M

L

T

M

M

G

Q

D

D

F

L

L

A

S

T

L

Q

A

V

Q

Q

L

Y

G

H

L

L

P

P

V

V

K

I

I

N

V

V

F

F

N

T

N
|
N

G

C

T
x
Q

L
x
Y

G
|
G

F
x
W

V
x
I

E

K

L

D

E
|
E

Q

Q

K

E

S

D

T

T

G

N

F

Q

I

N

D

D

F

F

-

I

G

G

T

V

G

E

F

F

K

N

N

D

P

I

N

D

F

F

A

S

A

K

M

I

A

A

E

D

A

G

A

V

G

H

I

M

K

Q

G

A

I

F

R

R

I

V

E

N

D

K

A

I

G

E

E

Q

V

L

E

-

P

P

G

D

I

V

-

F

-

E

-

Q

K

A

A

K

A

A

L

I

A

A

H

Q

N

H

G

E

P

P

V

V

L

L

V

I

D

D

A

A

V

V

V

I

active site: I24 (= I23), G26 (= G25), G27 (≠ D26), S28 (= S27), I29 (≠ L28), E51 (= E49), S74 (= S72), F113 (= F111), Q114 (= Q112), E115 (= E113), V162 (≠ G160), R256 (≠ L254), E283 (≠ Q281), V386 (= V384), A412 (≠ G410), M414 (= M412), D439 (= D437), N466 (= N464), Q468 (≠ T466), Y469 (≠ L467), W471 (≠ F469), I472 (≠ V470), E475 (= E473)
binding flavin-adenine dinucleotide: H93 (≠ R91), G212 (= G210), I213 (≠ S211), G214 (= G212), T236 (≠ A234), Y237 (≠ L235), P238 (≠ K236), A254 (≠ T252), N255 (≠ G253), R256 (≠ L254), V257 (≠ I255), G276 (= G274), N277 (≠ T275), N278 (≠ D276), P280 (= P278), F281 (≠ Y279), D298 (= D294), I299 (= I295), K303 (≠ Q299), D317 (≠ E313), A318 (≠ V314), N409 (≠ F407)
binding magnesium ion: D439 (= D437), N466 (= N464), Q468 (≠ T466)
binding 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1s)-1-hydroxy-1-[(r)-hydroxy(methoxy)phosphoryl]ethyl}-5-(2-{[(s)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium: V386 (= V384), D388 (≠ L386), M414 (= M412), G438 (= G436), G440 (= G438), N466 (= N464), Q468 (≠ T466), Y469 (≠ L467), G470 (= G468), W471 (≠ F469), I472 (≠ V470), E475 (= E473)

Sites not aligning to the query:

active site: 538

2ez8A Pyruvate oxidase variant f479w in complex with reaction intermediate 2-lactyl-thiamin diphosphate (see paper)
32% identity, 91% coverage: 10:531/576 of query aligns to 11:536/585 of 2ez8A

query
sites
2ez8A

E

K

V

V

L

L

A

E

A

A

A

W

G

G

V

V

Q

D

R

H

I

L

Y

Y

G

G

I
|
I

V

P

G
|
G

D
x
G

S
|
S

L
x
I

N

N

G

S

F

I

T

M

D

D

A

A

I

L

R

S

-

A

R

E

Q

R

G

D

K

R

I

I

Q

H

W

Y

L

I

H

Q

V

V

R

R

H

H

E
|
E

E

E

V

V

A

G

A

A

F

M

A

A

S

A

A

A

E

D

A

A

H

K

L

L

T

T

G

G

S

K

L

I

A

G

V

V

C

C

A

F

G

G

S
|
S

C

A

G

G

P

P

G

G

N

G

L

T

H

H

L

L

I

M

N

N

G

G

L

L

F

Y

D

D

C

A

H

R

R

E

S

D

R
x
H

V

V

P

P

V

V

L

L

A

A

I

L

A

I

A

G

H

Q

I

F

P

G

S

T

A

T

E

G

I

M

G

N

S

M

G

D

Y

T

F
|
F

Q
|
Q

E
|
E

T

M

H

N

P

E

E

N

N

P

L

I

F

Y

K

A

E

D

C

V

S

A

H

D

Y

Y

C

N

E

V

L

T

I

A

S

V

S

N

P

A

S

A

Q

T

M

L

P

P

R

H

V

V

V

I

E

D

I

E

A

A

I

I

R

R

E

R

A

A

V

Y

G

A

K

H

R

Q

G

G

A

V

A

A

V

V

I

V

V

Q

I

I

P

P

G
x
V

D

D

V

L

A

P

L

W

H

Q

E

Q

A

-

V

-

E

-

A

-

P

-

V

I

P

P

T

A

-

E

-

D

-

W

F

Y

A

A

S

S

L

A

I

N

P

S

S

Y

E

Q

P

T

V

P

V

L

P

P

K

-

E

E

A

P

D

D

L

V

K

Q

A

A

L

V

A

T

N

R

L

L

-

T

-

Q

-

T

L

L

N

L

G

A

A

A

G

E

R

R

V

P

T

L

L

I

L

Y

C

Y

G
|
G

S
x
I

G
|
G

C

A

A

R

G

K

A

A

H

G

S

K

Q

E

L

L

L

E

A

Q

L

L

G

S

E

K

K

T

L

L

K

K

A

I

P

P

M

L

V

M

H

S

A
x
T

L
x
Y

K
x
P

G

A

K

K

E

G

Y

I

V

V

E

A

W

D

D

R

N

Y

P

P

Y

A

D

Y

V

L

G

G

M

S

T
x
A

G
x
N

L
x
R

I
x
V

G

A

F

Q

S

K

S

P

G

A

Y

N

F

E

A

A

M

L

N

A

D

Q

C

A

D

D

A

V

L

V

L

L

M

F

L

V

G
|
G

T
x
N

D
x
N

F

Y

P
|
P

Y
x
F

R

A

Q
x
E

F

V

Y

S

P

K

-

A

-

F

Q

K

G

N

T

T

A

R

K

Y

I

F

A

L

Q

Q

I

I

D
|
D

I
|
I

R

D

P

P

E

A

Q
x
K

L

L

G

G

K

K

R

R

A

H

P

K

I

T

D

D

L

I

G

A

L

V

V

L

G

A

E
x
D

V
x
A

G

Q

A

K

T

T

L

L

D

A

A

A

L

I

L

L

P

A

L

Q

L

V

T

S

E

E

K

R

K

E

E

S

R

T

K

P

H

W

L

W

D

Q

Q

A

A

N

I

L

G

A

H

N

Y

V

K

K

K

N

A

W

R

R

E

A

G

Y

L

L

D

A

E

S

L

L

A

E

K

D

G

K

V

Q

P

E

G

G

K

P

R

-

L

-

V

L

H

Q

P

A

Q

Y

Q

Q

V

V

A

L

K

R

A

A

I

V

S

N

D

K

F

I

A

A

S

E

V

P

D

D

A

A

I

I

F

Y

T

S

C

I

D

D

V
|
V

G

G

L
x
D

P

I

T
x
N

V

L

W

N

A

A

A

N

R

R

Y

H

L

L

A

K

M

L

N

T

G

P

A

S

R

N

R

R

L

H

I

I

G

T

S

S

F
x
N

W

L

H

F

G
x
A

S

T

M
|
M

A

G

N

V

A

G

M

I

A

P

Q

G

A

A

I

I

G

A

A

A

Q

K

A

L

T

N

F

Y

P

P

N

E

R

R

Q

Q

V

V

I

F

S

N

L

L

S

A

G
|
G

D
|
D

G
|
G

G

G

F

A

A

S

M

M

L

T

M

M

G

Q

D

D

F

L

L

A

S

T

L

Q

A

V

Q

Q

L

Y

G

H

L

L

P

P

V

V

K

I

I

N

V

V

F

F

N

T

N
|
N

G

C

T
x
Q

L
x
Y

G
|
G

F
x
W

V
x
I

E

K

L

D

E
|
E

Q

Q

K

E

S

D

T

T

G

N

F

Q

I

N

D

D

F

F

-

I

G

G

T

V

G

E

F

F

K

N

N

D

P

I

N

D

F

F

A

S

A

K

M

I

A

A

E

D

A

G

A

V

G

H

I

M

K

Q

G

A

I

F

R

R

I

V

E

N

D

K

A

I

G

E

E

Q

V

L

E

-

P

P

G

D

I

V

-

F

-

E

-

Q

K

A

A

K

A

A

L

I

A

A

H

Q

N

H

G

E

P

P

V

V

L

L

V

I

D

D

A

A

V

V

V

I

active site: I24 (= I23), G26 (= G25), G27 (≠ D26), S28 (= S27), I29 (≠ L28), E51 (= E49), S74 (= S72), F113 (= F111), Q114 (= Q112), E115 (= E113), V162 (≠ G160), R256 (≠ L254), E283 (≠ Q281), V386 (= V384), A412 (≠ G410), M414 (= M412), D439 (= D437), N466 (= N464), Q468 (≠ T466), Y469 (≠ L467), W471 (≠ F469), I472 (≠ V470), E475 (= E473)
binding flavin-adenine dinucleotide: H93 (≠ R91), G212 (= G210), I213 (≠ S211), G214 (= G212), T236 (≠ A234), Y237 (≠ L235), P238 (≠ K236), A254 (≠ T252), N255 (≠ G253), R256 (≠ L254), V257 (≠ I255), G276 (= G274), N277 (≠ T275), N278 (≠ D276), P280 (= P278), F281 (≠ Y279), D298 (= D294), I299 (= I295), K303 (≠ Q299), D317 (≠ E313), A318 (≠ V314), N390 (≠ T388), N409 (≠ F407)
binding magnesium ion: D439 (= D437), N466 (= N464), Q468 (≠ T466)
binding 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-carboxy-1-hydroxyethyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium: D388 (≠ L386), M414 (= M412), G438 (= G436), G440 (= G438), N466 (= N464), Q468 (≠ T466), Y469 (≠ L467), G470 (= G468), W471 (≠ F469), I472 (≠ V470)

Sites not aligning to the query:

active site: 538
binding pyruvic acid: 547, 549, 550, 553, 554

2ez4B Pyruvate oxidase variant f479w (see paper)
32% identity, 91% coverage: 10:531/576 of query aligns to 11:536/585 of 2ez4B

query
sites
2ez4B

E

K

V

V

L

L

A

E

A

A

A

W

G

G

V

V

Q

D

R

H

I

L

Y

Y

G

G

I
|
I

V

P

G
|
G

D
x
G

S
|
S

L
x
I

N

N

G

S

F

I

T

M

D

D

A

A

I

L

R

S

-

A

R

E

Q

R

G

D

K

R

I

I

Q

H

W

Y

L

I

H

Q

V

V

R

R

H

H

E
|
E

E

E

V

V

A

G

A

A

F

M

A

A

S

A

A

A

E

D

A

A

H

K

L

L

T

T

G

G

S

K

L

I

A

G

V

V

C

C

A

F

G

G

S
|
S

C

A

G

G

P

P

G

G

N

G

L

T

H

H

L

L

I

M

N

N

G

G

L

L

F

Y

D

D

C

A

H

R

R

E

S

D

R
x
H

V

V

P

P

V

V

L

L

A

A

I

L

A

I

A

G

H

Q

I

F

P

G

S

T

A

T

E

G

I

M

G

N

S

M

G

D

Y

T

F
|
F

Q
|
Q

E
|
E

T

M

H

N

P

E

E

N

N

P

L

I

F

Y

K

A

E

D

C

V

S

A

H

D

Y

Y

C

N

E

V

L

T

I

A

S

V

S

N

P

A

S

A

Q

T

M

L

P

P

R

H

V

V

V

I

E

D

I

E

A

A

I

I

R

R

E

R

A

A

V

Y

G

A

K

H

R

Q

G

G

A

V

A

A

V

V

I

V

V

Q

I

I

P

P

G
x
V

D

D

V

L

A

P

L

W

H

Q

E

Q

A

-

V

-

E

-

A

-

P

-

V

I

P

P

T

A

-

E

-

D

-

W

F

Y

A

A

S

S

L

A

I

N

P

S

S

Y

E

Q

P

T

V

P

V

L

P

P

K

-

E

E

A

P

D

D

L

V

K

Q

A

A

L

V

A

T

N

R

L

L

-

T

-

Q

-

T

L

L

N

L

G

A

A

A

G

E

R

R

V

P

T

L

L

I

L

Y

C

Y

G
|
G

S
x
I

G
|
G

C

A

A

R

G

K

A

A

H

G

S

K

Q

E

L

L

L

E

A

Q

L

L

G

S

E

K

K

T

L

L

K

K

A

I

P

P

M

L

V

M

H

S

A
x
T

L
x
Y

K
x
P

G

A

K

K

E

G

Y

I

V

V

E

A

W

D

D

R

N

Y

P

P

Y

A

D

Y

V

L

G

G

M

S

T
x
A

G
x
N

L
x
R

I
x
V

G

A

F

Q

S

K

S

P

G

A

Y

N

F

E

A

A

M

L

N

A

D

Q

C

A

D

D

A

V

L

V

L

L

M

F

L

V

G
|
G

T
x
N

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x
N

F

Y

P
|
P

Y
x
F

R

A

Q
x
E

F

V

Y

S

P

K

-

A

-

F

Q

K

G

N

T

T

A

R

K

Y

I

F

A

L

Q

Q

I

I

D
|
D

I
|
I

R

D

P

P

E

A

Q
x
K

L

L

G

G

K

K

R

R

A

H

P

K

I

T

D

D

L

I

G

A

L

V

V

L

G

A

E
x
D

V
x
A

G

Q

A

K

T

T

L

L

D

A

A

A

L

I

L

L

P

A

L

Q

L

V

T

S

E

E

K

R

K

E

E

S

R

T

K

P

H

W

L

W

D

Q

Q

A

A

N

I

L

G

A

H

N

Y

V

K

K

K

N

A

W

R

R

E

A

G

Y

L

L

D

A

E

S

L

L

A

E

K

D

G

K

V

Q

P

E

G

G

K

P

R

-

L

-

V

L

H

Q

P

A

Q

Y

Q

Q

V

V

A

L

K

R

A

A

I

V

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N

D

K

F

I

A

A

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P

D

D

A

A

I

I

F

Y

T

S

C

I

D

D

V
|
V

G

G

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x
D

P

I

T

N

V

L

W

N

A

A

A

N

R

R

Y

H

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L

A

K

M

L

N

T

G

P

A

S

R

N

R

R

L

H

I

I

G

T

S

S

F
x
N

W

L

H

F

G
x
A

S

T

M
|
M

A

G

N

V

A

G

M

I

A

P

Q

G

A

A

I

I

G

A

A

A

Q

K

A

L

T

N

F

Y

P

P

N

E

R

R

Q

Q

V

V

I

F

S

N

L

L

S

A

G
|
G

D
|
D

G
|
G

F

A

A

S

M

M

L

T

M

M

G

Q

D

D

F

L

L

A

S

T

L

Q

A

V

Q

Q

L

Y

G

H

L

L

P

P

V

V

K

I

I

N

V

V

F

F

N

T

N
|
N

G

C

T
x
Q

L
x
Y

G
|
G

F
x
W

V
x
I

E

K

L

D

E
|
E

Q

Q

K

E

S

D

T

T

G

N

F

Q

I

N

D

D

F

F

-

I

G

G

T

V

G

E

F

F

K

N

N

D

P

I

N

D

F

F

A

S

A

K

M

I

A

A

E

D

A

G

A

V

G

H

I

M

K

Q

G

A

I

F

R

R

I

V

E

N

D

K

A

I

G

E

E

Q

V

L

E

-

P

P

G

D

I

V

-

F

-

E

-

Q

K

A

A

K

A

A

L

I

A

A

H

Q

N

H

G

E

P

P

V

V

L

L

V

I

D

D

A

A

V

V

V

I

active site: I24 (= I23), G26 (= G25), G27 (≠ D26), S28 (= S27), I29 (≠ L28), E51 (= E49), S74 (= S72), F113 (= F111), Q114 (= Q112), E115 (= E113), V162 (≠ G160), R256 (≠ L254), E283 (≠ Q281), V386 (= V384), A412 (≠ G410), M414 (= M412), D439 (= D437), N466 (= N464), Q468 (≠ T466), Y469 (≠ L467), W471 (≠ F469), I472 (≠ V470), E475 (= E473)
binding flavin-adenine dinucleotide: H93 (≠ R91), G212 (= G210), I213 (≠ S211), G214 (= G212), T236 (≠ A234), Y237 (≠ L235), P238 (≠ K236), A254 (≠ T252), N255 (≠ G253), R256 (≠ L254), V257 (≠ I255), G276 (= G274), N277 (≠ T275), N278 (≠ D276), P280 (= P278), F281 (≠ Y279), D298 (= D294), I299 (= I295), K303 (≠ Q299), D317 (≠ E313), A318 (≠ V314), N409 (≠ F407)
binding magnesium ion: D439 (= D437), N466 (= N464), Q468 (≠ T466)
binding phosphate ion: W471 (≠ F469), E475 (= E473)
binding thiamine diphosphate: D388 (≠ L386), A412 (≠ G410), M414 (= M412), G438 (= G436), D439 (= D437), G440 (= G438), G441 (= G439), N466 (= N464), Q468 (≠ T466), Y469 (≠ L467), G470 (= G468), W471 (≠ F469), I472 (≠ V470)

Sites not aligning to the query:

active site: 538

1y9dD Pyruvate oxidase variant v265a from lactobacillus plantarum (see paper)
32% identity, 91% coverage: 10:531/576 of query aligns to 11:511/560 of 1y9dD

query
sites
1y9dD

E

K

V

V

L

L

A

E

A

A

A

W

G

G

V

V

Q

D

R

H

I

L

Y

Y

G

G

I
|
I

V

P

G
|
G

D
x
G

S
|
S

L
x
I

N

N

G

S

F

I

T

M

D

D

A

A

I

L

R

S

-

A

R

E

Q

R

G

D

K

R

I

I

Q

H

W

Y

L

I

H

Q

V

V

R

R

H

H

E
|
E

E

E

V

V

A

G

A

A

F

M

A

A

S

A

A

A

E

D

A

A

H

K

L

L

T

T

G

G

S

K

L

I

A

G

V

V

C

C

A

F

G

G

S
|
S

C

A

G

G

P
|
P

G

G

N

G

L

T

H
|
H

L

L

I

M

N

N

G

G

L

L

F

Y

D

D

C

A

H

R

R

E

S

D

R

H

V

V

P

P

V

V

L

L

A

A

I

L

A

I

A

G

H

Q

I

F

P

-

S

-

A

-

E

-

I

-

G

-

S

-

G

G

Y

T

F

T

Q

G

E
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E

T

M

H

N

P

E

E

N

N

P

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I

F

Y

K

A

E

D

C

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S

A

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D

Y

Y

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A

I

I

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R

A

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Y

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A

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Q

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G

A

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A

A

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I

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P

G
x
V

D

D

V

L

A

P

L

W

H

Q

E

Q

A

-

V

-

E

-

A

-

P

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-

P

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F

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S

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-

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E

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D

D

L

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A

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A

A

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A

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A

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L

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K

A

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x
T

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P

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A

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I

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Y

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P

Y

A

D

Y

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G

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R

I

A

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S

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G

A

Y

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A

D

D

A

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L

V

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G

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x
N

D
x
N

F

Y

P

N

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T

R

R

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Y

F

F

Y

L

P

-

Q

-

G

-

T

-

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-

Q

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D

I
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I

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x
K

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L

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K

R

R

A

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P

K

I

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D

D

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L

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G

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E
x
D

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G

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T

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A

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I

L

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A

L

Q

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E

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E

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L

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D

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A

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D

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-

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P

A

Q

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Q

Q

V

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A

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A

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V

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x
D

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N

A

A

A

N

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H

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x
A

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|
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A

G

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M

I

A

P

Q

G

A

A

I

I

G

A

A

A

Q

K

A

L

T

N

F

Y

P

P

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E

R

R

Q

Q

V

V

I

F

S

N

L

L

S

A

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|
G

D
|
D

G
|
G

G

G

F

A

A

S

M

M

L

T

M

M

G

Q

D

D

F

L

L

A

S

T

L

Q

A

V

Q

Q

L

Y

G

H

L

L

P

P

V

V

K

I

I

N

V

V

F

F

N

T

N
|
N

G

C

T
x
Q

L
x
Y

G
|
G

F
|
F

V
x
I

E

K

L

D

E
|
E

Q

Q

K

E

S

D

T

T

G

N

F

Q

I

N

D

D

F

F

-

I

G

G

T

V

G

E

F

F

K

N

N

D

P

I

N

D

F

F

A

S

A

K

M

I

A

A

E

D

A

G

A

V

G

H

I

M

K

Q

G

A

I

F

R

R

I

V

E

N

D

K

A

I

G

E

E

Q

V

L

E

-

P

P

G

D

I

V

-

F

-

E

-

Q

K

A

A

K

A

A

L

I

A

A

H

Q

N

H

G

E

P

P

V

V

L

L

V

I

D

D

A

A

V

V

V

I

active site: I24 (= I23), G26 (= G25), G27 (≠ D26), S28 (= S27), I29 (≠ L28), E51 (= E49), S74 (= S72), E108 (= E113), V155 (≠ G160), R241 (≠ L254), V361 (= V384), A387 (≠ G410), M389 (= M412), D414 (= D437), N441 (= N464), Q443 (≠ T466), Y444 (≠ L467), F446 (= F469), I447 (≠ V470), E450 (= E473)
binding flavin-adenine dinucleotide: I198 (≠ S211), G199 (= G212), T221 (≠ A234), P223 (≠ K236), G261 (= G274), N262 (≠ T275), N263 (≠ D276), D273 (= D294), I274 (= I295), K278 (≠ Q299), D292 (≠ E313), A293 (≠ V314)
binding magnesium ion: D414 (= D437), N441 (= N464), Q443 (≠ T466)
binding thiamine diphosphate: E51 (= E49), S74 (= S72), P77 (= P75), H81 (= H79), D363 (≠ L386), M389 (= M412), G413 (= G436), G415 (= G438), N441 (= N464), Q443 (≠ T466), Y444 (≠ L467), G445 (= G468), F446 (= F469), I447 (≠ V470)

Sites not aligning to the query:

active site: 513

6deqA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide penoxsulam (see paper)
28% identity, 92% coverage: 8:539/576 of query aligns to 20:567/601 of 6deqA

query
sites
6deqA

F

F

A

H

E

E

V

M

L

M

A

L

A

R

A

H

G

K

V

V

Q

D

R

T

I

V

Y

F

G

G

I
x
Y

V

A

G
|
G

D
x
G

S
x
A

L
x
I

N

L

G

P

F

V

T

F

D

D

A

A

I

I

R

Y

R

N

Q

S

G

D

K

K

I

F

Q

K

W

F

L

V

H

L

V

P

R

R

H

H

E
|
E

E

Q

V

G

A

A

A

G

F

H

A

M

A

A

S

E

A

G

E

Y

A

A

H

R

L

A

T

S

G

G

S

K

L

P

A

G

V

V

C

V

A

L

G

V

S
x
T

C

S

G

G

P

P

G

G

N

A

L

T

H

N

L

V

I

I

N

T

G

P

L

M

F

A

D

D

C

A

H

L

R

M

S

D

R

G

V

V

P

P

V

L

L

V

A

V

I

F

A

S

A

G

H

Q

I

V

P

P

S

T

A

T

E

A

I

I

G

G

S

T

G

D

Y

A

F
|
F

Q
|
Q

E
|
E

T

A

H

D

P

I

E

V

N

G

L

I

F

S

K

R

E

S

C

C

S

T

H

K

Y

W

C

N

E

V

L

M

I

V

S

K

S

N

P

V

S

A

Q

E

M

L

P

P

R

R

V

R

V

I

E

N

I

E

A

A

I

F

R

E

E

I

A

A

-

T

V

T

G

G

K
x
R

R

P

G

G

A

P

A

V

V

L

I

V

V

D

I

L

P

P

G
x
K

D

D

V

V

A

T

-

A

-

S

-

I

L

L

H

R

E

E

A

S

V

I

E

-

A

-

P

P

V

I

P

N

T

T

F

-

A

-

S

-

L

T

I

L

P

P

S

S

E

N

P

A

V

V

V

S

V

E

P

F

K

T

E

S

A

E

D

A

L

I

K

K

A

R

L

A

A

A

N

N

L

I

L

L

N

N

G

K

A

A

G

K

R

K

V

P

T

I

L

I

L

Y

C

A

G
|
G

S
x
A

G
|
G

C

I

A

L

G
x
N

A

N

H

E

S

Q

-

G

-

P

-
x
K

Q

L

L

L

L

K

A

E

L

L

G

A

E

D

K

K

L

A

K

N

A

I

P

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V

V

T

H

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x
T

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|
L

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x
Q

G

G

K

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G

Y

A

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D

W

Q

D

R

N

D

P

P

Y

K

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V

L

G

D

M

M

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x
L

G

G

L
x
M

I

H

G

G

F

S

S

A

G

A

Y

N

F

T

A

A

M

I

N

Q

D

N

C

A

D

D

A

C

L

I

M

A

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G
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G

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x
A

D
x
R

F

F

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x
D

Y

D

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R

-
x
V

-

T

-

G

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N

-

I

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F

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Y

A

P

P

-

E

-

A

-

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-

L

-

A

-

S

Q

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G

G

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R

A

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I

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x
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I

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A

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I

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E

G

A

L

I

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x
D

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V

G

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A

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N

L

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L

I

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L

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D

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S

K

I

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E

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N

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P

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E

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D

F

Q

N

A

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I

I

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N

H

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Y

W

K

K

A

K

R

Y

E

P

G

Y

L

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D

Y

E

Q

L

L

A

E

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-

G

-

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T

P

P

G

G

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S

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-

L

L

V

I

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K

P

P

Q

Q

Q

T

V

L

A

I

K

K

A

E

I

I

S

S

D

D

F

Q

A

A

S

Q

V

T

-

Y

-

N

-

K

D

E

A

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I

I

F

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T

C

T

D

G

V
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V

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G

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x
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x
H

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x
M

W

W

A

A

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Y

H

L

F

A

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M

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N

T

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A

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I

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x
G

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x
L

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G

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M

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Y

A

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M

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A

A

A

I

I

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G

A

A

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Q

A

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T

A

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K

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P

N

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A

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D

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G

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D

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x
A

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x
S

F

F

A

N

M

M

L

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M

L

G

T

D

E

F

L

L

S

S

S

L

A

A

V

Q

Q

L

A

G

G

L

A

P

P

V

I

K

K

I

V

V

C

V

V

F

L

N

N

N
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N

G

E

T
x
E

L
x
Q

G
|
G

F
x
M

V
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V

E

-

L

-

E

T

Q

Q

K
x
W

S

Q

T

S

G

L

F

F

I

Y

D

E

F

H

-

R

-

Y

-

S

G

H

T

T

G

H

F

Q

K

S

N

N

P

P

N

D

F

F

A

M

A

K

M
x
L

A

A

E

E

A

S

A

M

G
x
N

I
x
V

K

K

G

G

I

I

R

R

I

I

E

T

D

N

A

Q

G

Q

E

E

V

L

E

K

P

S

G

G

I

V

K

K

A

E

A

F

L

L

A

D

H

A

N

T

G

E

P

P

V

V

L

L

V

L

D

E

A

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I

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E

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A

V

I

L

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P

active site: Y35 (≠ I23), G37 (= G25), G38 (≠ D26), A39 (≠ S27), I40 (≠ L28), E61 (= E49), T84 (≠ S72), F123 (= F111), Q124 (= Q112), E125 (= E113), K173 (≠ G160), K232 (vs. gap), M268 (≠ L254), V295 (vs. gap), V411 (= V384), L436 (≠ H409), G437 (= G410), M439 (= M412), D464 (= D437), N491 (= N464), E493 (≠ T466), Q494 (≠ L467), M496 (≠ F469), V497 (= V470), W500 (≠ K475), L522 (≠ M494), N527 (≠ G499), V528 (≠ I500)
binding flavin-adenine dinucleotide: R163 (≠ K150), G221 (= G210), A222 (≠ S211), G223 (= G212), N226 (≠ G215), T248 (≠ A234), L249 (= L235), Q250 (≠ K236), L266 (≠ T252), G288 (= G274), A289 (≠ T275), R290 (≠ D276), D292 (≠ P278), R294 (= R280), V295 (vs. gap), E321 (≠ D294), I322 (= I295), D340 (≠ E313), V341 (= V314), M416 (≠ V389), G434 (≠ F407)
binding magnesium ion: D464 (= D437), N491 (= N464), E493 (≠ T466)
binding 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide: M268 (≠ L254), R294 (= R280), M496 (≠ F469), V497 (= V470), W500 (≠ K475)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V411 (= V384), G412 (= G385), Q413 (≠ L386), H414 (≠ P387), M439 (= M412), G463 (= G436), D464 (= D437), A465 (≠ G438), S466 (≠ G439), N491 (= N464), E493 (≠ T466), Q494 (≠ L467), G495 (= G468), M496 (≠ F469), V497 (= V470)

Sites not aligning to the query:

binding 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide: 571

6desA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide propoxycarbazone (see paper)
28% identity, 92% coverage: 8:539/576 of query aligns to 18:564/598 of 6desA

query
sites
6desA

F

F

A

H

E

E

V

M

L

M

A

L

A

R

A

H

G

K

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R

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Y

F

G

G

I
x
Y

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A

G
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G

D
x
G

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x
A

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x
I

N

L

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E

E

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A

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A

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A

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A

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A

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S

G

G

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P

A

G

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V

C

V

A

L

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x
T

C

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G

G

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P

G

G

N

A

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N

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F

A

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C

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A

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x
R

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x
K

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-

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I

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-

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K

S

E

E

A

A

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-

L

I

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A

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N

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N

G

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C

A

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G

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A

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G

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x
N

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x
K

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L

L

L

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A

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M

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x
L

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M

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G

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F

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A

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A

C

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G

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x
D

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x
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R

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x
V

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I

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x
G

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A

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V

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I

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D

L

I

S

D

G
|
G

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|
D

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A

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x
S

F

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A

N

M

M

L

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M

L

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F

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S

L

A

A

V

Q

Q

L

A

G

G

L

A

P

P

V

I

K

K

I

V

V

C

V

V

F

L

N

N

N
|
N

G

E

T
x
E

L
x
Q

G
|
G

F
x
M

V
|
V

E

-

L

-

E

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Q

Q

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x
W

S

Q

T

S

G

L

F

F

I

Y

D

E

F

H

-

R

-

Y

-

S

G

H

T

T

G

H

F

Q

K

S

N

N

P

P

N

D

F

F

A

M

A

K

M
x
L

A

A

E

E

A

S

A

M

G
x
N

I
x
V

K

K

G

G

I

I

R

R

I

I

E

T

D

N

A

Q

G

Q

E

E

V

L

E

K

P

S

G

G

I

V

K

K

A

E

A

F

L

L

A

D

H

A

N

T

G

E

P

P

V

V

L

L

V

L

D

E

A

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I

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N

E

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K

Q

K

E

V

L

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A

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P

active site: Y33 (≠ I23), G35 (= G25), G36 (≠ D26), A37 (≠ S27), I38 (≠ L28), E59 (= E49), T82 (≠ S72), F121 (= F111), Q122 (= Q112), E123 (= E113), K171 (≠ G160), K229 (vs. gap), M265 (≠ L254), V292 (vs. gap), V408 (= V384), L433 (≠ H409), G434 (= G410), M436 (= M412), D461 (= D437), N488 (= N464), E490 (≠ T466), Q491 (≠ L467), M493 (≠ F469), V494 (= V470), W497 (≠ K475), L519 (≠ M494), N524 (≠ G499), V525 (≠ I500)
binding methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate: M265 (≠ L254), D290 (≠ Y279), R291 (= R280), W497 (≠ K475)
binding flavin-adenine dinucleotide: R161 (≠ K150), G218 (= G210), A219 (≠ S211), G220 (= G212), N223 (≠ G215), T245 (≠ A234), L246 (= L235), Q247 (≠ K236), L263 (≠ T252), G285 (= G274), A286 (≠ T275), R287 (≠ D276), D289 (≠ P278), R291 (= R280), V292 (vs. gap), E318 (≠ D294), I319 (= I295), N323 (≠ Q299), D337 (≠ E313), V338 (= V314), Q412 (≠ T388), M413 (≠ V389), G431 (≠ F407)
binding magnesium ion: D461 (= D437), N488 (= N464), E490 (≠ T466)
binding 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogendiphosphate: V408 (= V384), G409 (= G385), Q410 (≠ L386), H411 (≠ P387), G434 (= G410), M436 (= M412), G460 (= G436), D461 (= D437), A462 (≠ G438), S463 (≠ G439), N488 (= N464), E490 (≠ T466), Q491 (≠ L467), G492 (= G468), M493 (≠ F469), V494 (= V470)

6depA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide sulfometuron methyl (see paper)
28% identity, 92% coverage: 8:539/576 of query aligns to 18:564/598 of 6depA

query
sites
6depA

F

F

A

H

E

E

V

M

L

M

A

L

A

R

A

H

G

K

V

V

Q

D

R

T

I

V

Y

F

G

G

I
x
Y

V

A

G
|
G

D
x
G

S
x
A

L
x
I

N

L

G

P

F

V

T

F

D

D

A

A

I

I

R

Y

R

N

Q

S

G

D

K

K

I

F

Q

K

W

F

L

V

H

L

V

P

R

R

H

H

E
|
E

E

Q

V

G

A

A

A

G

F

H

A

M

A

A

S

E

A

G

E

Y

A

A

H

R

L

A

T

S

G

G

S

K

L

P

A

G

V

V

C

V

A

L

G

V

S
x
T

C

S

G

G

P

P

G

G

N

A

L

T

H

N

L

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I

I

N

T

G

P

L

M

F

A

D

D

C

A

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A

T

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A

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F

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E

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V

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N

I

E

A

A

I

F

R

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E

I

A

A

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T

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x
R

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G

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A

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I

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I

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x
K

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E

-

A

-

P

P

V

I

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N

T

T

F

-

A

-

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-

L

T

I

L

P

P

S

S

E

A

P

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V

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V

E

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P

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K

S

E

E

A

A

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-

L

I

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A

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A

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N

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N

G

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A

A

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I

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C

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G

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x
A

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G

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N

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x
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x
Q

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x
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-

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K

A

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I

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-

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x
M

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x
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M

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A

A

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I

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G

A

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N

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I

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I

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D

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G

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D

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x
A

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x
S

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M
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M

L

T

M

L

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T

D

E

F

L

L

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S

S

L

A

A

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Q

L

A

G

G

L

A

P

P

V

I

K

K

I

V

V

C

V

V

F

L

N

N

N
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N

G

E

T
x
E

L
x
Q

G
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G

F
x
M

V
|
V

E

-

L

-

E

T

Q

Q

K
x
W

S

Q

T

S

G

L

F

F

I

Y

D

E

F

H

-

R

-

Y

-

S

G

H

T

T

G

H

F

Q

K

S

N

N

P

P

N

D

F

F

A

M

A

K

M
x
L

A

A

E

E

A

S

A

M

G
x
N

I
x
V

K

K

G

G

I

I

R

R

I

I

E

T

D

N

A

Q

G

Q

E

E

V

L

E

K

P

S

G

G

I

V

K

K

A

E

A

F

L

L

A

D

H

A

N

T

G

E

P

P

V

V

L

L

V

L

D

E

A

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V

I

V

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E

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Q

K

E

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L

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A

V

I

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P

P

active site: Y33 (≠ I23), G35 (= G25), G36 (≠ D26), A37 (≠ S27), I38 (≠ L28), E59 (= E49), T82 (≠ S72), F121 (= F111), Q122 (= Q112), E123 (= E113), K171 (≠ G160), K229 (vs. gap), M265 (≠ L254), V292 (vs. gap), V408 (= V384), L433 (≠ H409), G434 (= G410), M436 (= M412), D461 (= D437), N488 (= N464), E490 (≠ T466), Q491 (≠ L467), M493 (≠ F469), V494 (= V470), W497 (≠ K475), L519 (≠ M494), N524 (≠ G499), V525 (≠ I500)
binding methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D290 (≠ Y279), R291 (= R280), M493 (≠ F469), W497 (≠ K475)
binding flavin-adenine dinucleotide: R161 (≠ K150), G218 (= G210), A219 (≠ S211), G220 (= G212), N223 (≠ G215), T245 (≠ A234), L246 (= L235), Q247 (≠ K236), L263 (≠ T252), G264 (= G253), G285 (= G274), A286 (≠ T275), R287 (≠ D276), D289 (≠ P278), R291 (= R280), V292 (vs. gap), E318 (≠ D294), I319 (= I295), N323 (≠ Q299), D337 (≠ E313), V338 (= V314), M413 (≠ V389), G431 (≠ F407)
binding magnesium ion: D461 (= D437), N488 (= N464), E490 (≠ T466)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V408 (= V384), G409 (= G385), Q410 (≠ L386), H411 (≠ P387), G434 (= G410), M436 (= M412), G460 (= G436), D461 (= D437), A462 (≠ G438), S463 (≠ G439), M466 (= M442), N488 (= N464), E490 (≠ T466), Q491 (≠ L467), G492 (= G468), M493 (≠ F469), V494 (= V470)
binding 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogendiphosphate: V408 (= V384), G409 (= G385), Q410 (≠ L386), H411 (≠ P387), G434 (= G410), M436 (= M412), G460 (= G436), D461 (= D437), A462 (≠ G438), S463 (≠ G439), M466 (= M442), N488 (= N464), E490 (≠ T466), Q491 (≠ L467), G492 (= G468), M493 (≠ F469), V494 (= V470)

6derA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide metosulam (see paper)
28% identity, 92% coverage: 8:539/576 of query aligns to 20:566/600 of 6derA

query
sites
6derA

F

F

A

H

E

E

V

M

L

M

A

L

A

R

A

H

G

K

V

V

Q

D

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I

V

Y

F

G

G

I
x
Y

V

A

G
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G

D
x
G

S
x
A

L
x
I

N

L

G

P

F

V

T

F

D

D

A

A

I

I

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Y

R

N

Q

S

G

D

K

K

I

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K

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F

L

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H

L

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R

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H

H

E
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E

E

Q

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G

A

A

A

G

F

H

A

M

A

A

S

E

A

G

E

Y

A

A

H

R

L

A

T

S

G

G

S

K

L

P

A

G

V

V

C

V

A

L

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x
T

C

S

G

G

P

P

G

G

N

A

L

T

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N

L

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I

I

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F

A

D

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C

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A

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F

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A

A

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R

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E

I

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A

-

T

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x
R

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G

G

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A

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I

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x
K

D

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-

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I

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R

E

E

A

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-

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-

L

I

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A

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N

G

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A

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I

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Y

C

A

G
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G

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x
A

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G

C

I

A

L

G
x
N

A

N

H

E

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Q

-

G

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P

-
x
K

Q

L

L

L

L

K

A

E

L

L

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A

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D

K

K

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A

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N

A

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T

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L

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x
Q

G

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x
L

G

G

L
x
M

I
x
H

G

G

F

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S

A

G

A

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N

F

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Q

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N

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D

D

A

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G

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x
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R

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F

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x
D

Y

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R

-
x
V

-

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N

-

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I

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-

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K

A

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I

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I

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C

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G

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x
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x
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x
Q

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x
M

W

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A

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F
x
G

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x
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M

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G

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Y

A

G

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L

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A

A

A

I

I

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G

A

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Q

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A

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F

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R

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V

I

I

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D

L

I

S

D

G
|
G

D
|
D

G
x
A

G
x
S

F

F

A

N

M
|
M

L

T

M

L

G

T

D

E

F

L

L

S

S

S

L

A

A

V

Q

Q

L

A

G

G

L

A

P

P

V

I

K

K

I

V

V

C

V

V

F

L

N

N

N
|
N

G

E

T
x
E

L
x
Q

G
|
G

F
x
M

V
|
V

E

-

L

-

E

T

Q

Q

K
x
W

S

Q

T

S

G

L

F

F

I

Y

D

E

F

H

-

R

-

Y

-

S

G

H

T

T

G

H

F

Q

K

S

N

N

P

P

N

D

F

F

A

M

A

K

M
x
L

A

A

E

E

A

S

A

M

G
x
N

I
x
V

K

K

G

G

I

I

R

R

I

I

E

T

D

N

A

Q

G

Q

E

E

V

L

E

K

P

S

G

G

I

V

K

K

A

E

A

F

L

L

A

D

H

A

N

T

G

E

P

P

V

V

L

L

V

L

D

E

A

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P

active site: Y35 (≠ I23), G37 (= G25), G38 (≠ D26), A39 (≠ S27), I40 (≠ L28), E61 (= E49), T84 (≠ S72), F123 (= F111), Q124 (= Q112), E125 (= E113), K173 (≠ G160), K231 (vs. gap), M267 (≠ L254), V294 (vs. gap), V410 (= V384), L435 (≠ H409), G436 (= G410), M438 (= M412), D463 (= D437), N490 (= N464), E492 (≠ T466), Q493 (≠ L467), M495 (≠ F469), V496 (= V470), W499 (≠ K475), L521 (≠ M494), N526 (≠ G499), V527 (≠ I500)
binding flavin-adenine dinucleotide: R163 (≠ K150), G220 (= G210), A221 (≠ S211), G222 (= G212), N225 (≠ G215), T247 (≠ A234), L248 (= L235), Q249 (≠ K236), L265 (≠ T252), H268 (≠ I255), G287 (= G274), A288 (≠ T275), R289 (≠ D276), D291 (≠ P278), R293 (= R280), V294 (vs. gap), E320 (≠ D294), I321 (= I295), N325 (≠ Q299), G338 (= G312), D339 (≠ E313), V340 (= V314), Q414 (≠ T388), M415 (≠ V389), G433 (≠ F407)
binding Metosulam: R293 (= R280), M495 (≠ F469), W499 (≠ K475)
binding magnesium ion: D463 (= D437), N490 (= N464), E492 (≠ T466)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V410 (= V384), G411 (= G385), Q412 (≠ L386), H413 (≠ P387), G436 (= G410), M438 (= M412), G462 (= G436), D463 (= D437), A464 (≠ G438), S465 (≠ G439), N490 (= N464), E492 (≠ T466), Q493 (≠ L467), G494 (= G468), M495 (≠ F469), V496 (= V470)
binding 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogendiphosphate: V410 (= V384), G411 (= G385), Q412 (≠ L386), H413 (≠ P387), G436 (= G410), M438 (= M412), G462 (= G436), D463 (= D437), A464 (≠ G438), S465 (≠ G439), M468 (= M442), N490 (= N464), E492 (≠ T466), Q493 (≠ L467), G494 (= G468), V496 (= V470)

Sites not aligning to the query:

binding Metosulam: 570

6deoA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide iodomuron methyl (see paper)
28% identity, 92% coverage: 8:539/576 of query aligns to 16:559/593 of 6deoA

query
sites
6deoA

F

F

A

H

E

E

V

M

L

M

A

L

A

R

A

H

G

K

V

V

Q

D

R

T

I

V

Y

F

G

G

I
x
Y

V

A

G
|
G

D
x
G

S
x
A

L
x
I

N

L

G

P

F

V

T

F

D

D

A

A

I

I

R

Y

R

N

Q

S

G

D

K

K

I

F

Q

K

W

F

L

V

H

L

V

P

R

R

H

H

E
|
E

E

Q

V

G

A

A

A

G

F

H

A

M

A

A

S

E

A

G

E

Y

A

A

H

R

L

A

T

S

G

G

S

K

L

P

A

G

V

V

C

V

A

L

G

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S
x
T

C

S

G

G

P

P

G

G

N

A

L

T

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Q

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A

G

G

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A

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N

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M

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x
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Y

D

E

F

H

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-

Y

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H

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T

G

H

F

Q

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S

N

N

P

P

N

D

F

F

A

M

A

K

M
x
L

A

A

E

E

A

S

A

M

G
x
N

I
x
V

K

K

G

G

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I

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R

I

I

E

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N

A

Q

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Q

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K

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G

G

I

V

K

K

A

E

A

F

L

L

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A

N

T

G

E

P

P

V

V

L

L

V

L

D

E

A

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active site: Y31 (≠ I23), G33 (= G25), G34 (≠ D26), A35 (≠ S27), I36 (≠ L28), E57 (= E49), T80 (≠ S72), F119 (= F111), Q120 (= Q112), E121 (= E113), K169 (≠ G160), K224 (vs. gap), M260 (≠ L254), V287 (vs. gap), V403 (= V384), L428 (≠ H409), G429 (= G410), M431 (= M412), D456 (= D437), N483 (= N464), E485 (≠ T466), Q486 (≠ L467), M488 (≠ F469), V489 (= V470), W492 (≠ K475), L514 (≠ M494), N519 (≠ G499), V520 (≠ I500)
binding flavin-adenine dinucleotide: R159 (≠ K150), G213 (= G210), A214 (≠ S211), G215 (= G212), N218 (≠ G215), T240 (≠ A234), L241 (= L235), Q242 (≠ K236), L258 (≠ T252), G280 (= G274), A281 (≠ T275), R282 (≠ D276), D284 (≠ P278), R286 (= R280), V287 (vs. gap), E313 (≠ D294), I314 (= I295), N318 (≠ Q299), D332 (≠ E313), V333 (= V314), M408 (≠ V389), G426 (≠ F407)
binding methyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate: M260 (≠ L254), D285 (≠ Y279), R286 (= R280), M488 (≠ F469), W492 (≠ K475)
binding magnesium ion: D456 (= D437), N483 (= N464), E485 (≠ T466)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V403 (= V384), G404 (= G385), Q405 (≠ L386), H406 (≠ P387), G429 (= G410), M431 (= M412), G455 (= G436), D456 (= D437), A457 (≠ G438), S458 (≠ G439), M461 (= M442), N483 (= N464), E485 (≠ T466), Q486 (≠ L467), G487 (= G468), M488 (≠ F469), V489 (= V470)

6demA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide bensulfuron methyl (see paper)
28% identity, 92% coverage: 8:539/576 of query aligns to 18:563/597 of 6demA

query
sites
6demA

F

F

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x
L

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M

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A

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G

L

A

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N

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E

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x
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x
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V

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D

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F

H

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R

-

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G

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T

G

H

F

Q

K

S

N

N

P

P

N

D

F

F

A

M

A

K

M
x
L

A

A

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A

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K

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G

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active site: Y33 (≠ I23), G35 (= G25), G36 (≠ D26), A37 (≠ S27), I38 (≠ L28), E59 (= E49), T82 (≠ S72), F121 (= F111), Q122 (= Q112), E123 (= E113), K171 (≠ G160), K228 (vs. gap), M264 (≠ L254), V291 (vs. gap), V407 (= V384), L432 (≠ H409), G433 (= G410), M435 (= M412), D460 (= D437), N487 (= N464), E489 (≠ T466), Q490 (≠ L467), M492 (≠ F469), V493 (= V470), W496 (≠ K475), L518 (≠ M494), N523 (≠ G499), V524 (≠ I500)
binding methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate: M264 (≠ L254), D289 (≠ Y279), R290 (= R280), M492 (≠ F469), W496 (≠ K475)
binding flavin-adenine dinucleotide: R161 (≠ K150), G217 (= G210), A218 (≠ S211), G219 (= G212), N222 (≠ G215), T244 (≠ A234), L245 (= L235), Q246 (≠ K236), L262 (≠ T252), G284 (= G274), A285 (≠ T275), R286 (≠ D276), D288 (≠ P278), R290 (= R280), V291 (vs. gap), E317 (≠ D294), I318 (= I295), N322 (≠ Q299), D336 (≠ E313), V337 (= V314), M412 (≠ V389), G430 (≠ F407)
binding magnesium ion: D460 (= D437), N487 (= N464), E489 (≠ T466)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V407 (= V384), G408 (= G385), Q409 (≠ L386), H410 (≠ P387), M435 (= M412), G459 (= G436), D460 (= D437), A461 (≠ G438), S462 (≠ G439), M465 (= M442), N487 (= N464), E489 (≠ T466), Q490 (≠ L467), G491 (= G468), M492 (≠ F469), V493 (= V470)

Sites not aligning to the query:

binding methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate: 567

Query Sequence

>WP_020173663.1 NCBI__GCF_000385335.1:WP_020173663.1
MKTVADQFAEVLAAAGVQRIYGIVGDSLNGFTDAIRRQGKIQWLHVRHEEVAAFAASAEA
HLTGSLAVCAGSCGPGNLHLINGLFDCHRSRVPVLAIAAHIPSAEIGSGYFQETHPENLF
KECSHYCELISSPSQMPRVVEIAIREAVGKRGAAVIVIPGDVALHEAVEAPVPTFASLIP
SEPVVVPKEADLKALANLLNGAGRVTLLCGSGCAGAHSQLLALGEKLKAPMVHALKGKEY
VEWDNPYDVGMTGLIGFSSGYFAMNDCDALLMLGTDFPYRQFYPQGTAKIAQIDIRPEQL
GKRAPIDLGLVGEVGATLDALLPLLTEKKERKHLDQAIGHYKKAREGLDELAKGVPGKRL
VHPQQVAKAISDFASVDAIFTCDVGLPTVWAARYLAMNGARRLIGSFWHGSMANAMAQAI
GAQATFPNRQVISLSGDGGFAMLMGDFLSLAQLGLPVKIVVFNNGTLGFVELEQKSTGFI
DFGTGFKNPNFAAMAEAAGIKGIRIEDAGEVEPGIKAALAHNGPVLVDAVVNRQELAIPP
KITAEMAKGFTLYTLKAVIGGKVDEVLELARTNLWR

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory