SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_020565375.1 NCBI__GCF_000372865.1:WP_020565375.1 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)
34% identity, 98% coverage: 1:576/588 of query aligns to 1:562/572 of P07003

query
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P07003

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1:182 (vs. 1:191, 38% identical) Pyr domain
E50 (= E51) binding thiamine diphosphate
183:334 (vs. 192:343, 38% identical) FAD-binding domain
S210 (≠ A217) binding FAD
LR 234:235 (≠ LL 241:242) binding FAD
TGLI 251:254 (≠ IGLL 258:261) binding FAD
TQFPY 274:278 (≠ SSFPY 281:285) binding FAD
D292 (= D301) binding FAD
S297 (≠ L306) binding FAD
DI 311:312 (≠ DS 320:321) binding FAD
335:530 (vs. 344:548, 28% identical) PP-binding domain
T382 (≠ S391) binding thiamine diphosphate
FN 403:404 (≠ LS 410:411) binding FAD
G--SM 406:408 (≠ GLATM 413:417) binding thiamine diphosphate
D433 (= D442) binding Mg(2+)
DGG 433:435 (≠ DGA 442:444) binding thiamine diphosphate
N460 (= N475) binding Mg(2+)
460:466 (vs. 475:481, 43% identical) binding thiamine diphosphate
V462 (≠ D477) binding Mg(2+)
F465 (≠ Q480) Moves into active site upon enzyme activation, plays a role in electron transfer
A533 (≠ P551) mutation to T: In poxB11; poor activity in vivo, no longer activated by lipids.
YM 549:550 (vs. gap) In vitro cleavage to yield alpha-peptide
A553 (= A567) mutation to V: In poxB14; poor activity in vivo, no longer activated by lipids.
D560 (= D574) mutation to P: In poxB15; normal activity.

Sites not aligning to the query:

531:572 Membrane-binding domain
549:572 mutation Missing: In poxB6. Inactive in vivo, does not complement inactive mutants. Active in vitro, no longer activated by nor binds to, detergents.
564 E→P: In poxB16; loss of activity, weakly activated by cleavage.
564:572 mutation Missing: In poxB7 Inactive in vivo, reduced activity in vitro.
570:572 mutation Missing: In poxB8; reduced activity in vitro, not activated by lipids.
572 R→G: In poxB10; reduced activity in vivo and in vitro; may interact less with membranes.

3ey9A Structural basis for membrane binding and catalytic activation of the peripheral membrane enzyme pyruvate oxidase from escherichia coli (see paper)
34% identity, 98% coverage: 2:576/588 of query aligns to 1:561/571 of 3ey9A

query
sites
3ey9A

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D

W

A

W

R

E

K

T

G

M

L

E

D

R

L

A

A

M

K

E

P

P

S

A

E

H

K

P

A

I

I

N

H

P

P

Q

Q

R

Y

V

L

F

A

W

Q

E

Q

L

I

S

S

P

H

R

F

L

A

P

A

D

D

N

D

C

A

I

I

L

F

T

T

C

C

D

D

S
x
V

G
|
G

S
x
T

A
x
P

A
x
T

N

V

W

W

Y

A

A

A

R

R

D

Y

L

L

K

K

I

M

-

N

-

G

R

K

Q

R

G

R

M

L

A

G

S

S

L
x
F

S
x
N

G

H

G
|
G

L

-

A

-

T

S

M
|
M

G

A

P

N

G

A

V

M

P

P

Y

Q

A

A

I

L

A

G

A

A

K

Q

F

A

A

T

H

E

P

P

E

E

R

R

V

Q

V

V

I

V

A

A

L

M

I

C

G
|
G

D
|
D

G
|
G

A
x
G

M

F

Q

S

M

M

N

L

G

-

M

M

N

G

E

D

L

F

I

L

T

S

I

V

G

-

K

-

Y

-

W

-

Q

V

R

Q

W

M

R

K

D

L

P

P

R

V

L

K

I

I

V

V

M

-

V

V

L

F

N

N

N
|
N

R

S

D
x
V

L
|
L

N
x
G

Q
x
F

V
|
V

T

A

W

M

E
|
E

Q

-

R

-

A

-

M

M

E

K

G

A

D

G

P

G

K

Y

F

L

N

T

A

D

S

G

Q

T

D

E

V

L

P

H

D

D

F

T

P

N

Y

F

A

A

R

R

M

I

A

A

E

E

L

A

I

C

G

G

L

I

L

T

G

G

I

I

R

R

V

V

D

E

Q

K

P

A

E

S

Q

E

I

V

T

D

D

E

A

A

W

L

E

Q

R

R

A

A

L

F

G

S

A

I

D

D

R

G

P

P

V

V

V

L

L

V

E

D

A

V

Y

V

A

V

D

A

P
x
K

D

E

V

E

P

L

P

A

L

I

P

P

H

Q

I

I

T

K

F

L

K

E

Q

Q

A

A

K

K

A

G

Y

F

A

S

-

L

-
x
Y

-

M

-

L

S

R

A

A

V

I

L

I

K

S

G

G

D

R

P

G

D

D

S

E

V

V

active site: V23 (≠ Y24), G25 (= G26), D26 (= D27), S27 (≠ G28), L28 (≠ I29), E49 (= E51), S72 (≠ T74), F111 (≠ Q113), Q112 (= Q114), G160 (≠ N163), L252 (= L260), A279 (≠ E287), V379 (≠ S389), G405 (= G413), M407 (= M417), D432 (= D442), N459 (= N475), V461 (≠ D477), L462 (= L478), F464 (≠ Q480), V465 (= V481), E468 (= E484), K528 (≠ P547)
binding flavin-adenine dinucleotide: G208 (= G216), S209 (≠ A217), G210 (= G218), A232 (= A240), L233 (= L241), R234 (≠ L242), T250 (≠ I258), G251 (= G259), I253 (≠ L261), G272 (= G280), T273 (≠ S281), Q274 (≠ S282), F275 (= F283), Y277 (= Y285), D291 (= D301), I292 (= I302), S296 (≠ L306), G309 (= G319), D310 (= D320), I311 (≠ S321), T383 (≠ A393), F402 (≠ L410), N403 (≠ S411), Y548 (vs. gap)
binding magnesium ion: D432 (= D442), N459 (= N475)
binding thiamine diphosphate: T24 (≠ P25), E49 (= E51), S72 (≠ T74), G76 (= G78), H79 (= H81), G380 (= G390), T381 (≠ S391), P382 (≠ A392), M407 (= M417), G431 (= G441), D432 (= D442), G433 (= G443), G434 (≠ A444), N459 (= N475), V461 (≠ D477), L462 (= L478), G463 (≠ N479)

9ev3A Corynebacterium glutamicum pyruvate:quinone oxidoreductase (pqo) purified from bacteria grown in acetate minimal medium (see paper)
31% identity, 98% coverage: 9:586/588 of query aligns to 8:575/577 of 9ev3A

query
sites
9ev3A

L

L

V

I

R

D

R

T

L

L

S

E

E

A

W

Q

G

G

V

V

K

K

R

R

I

I

F

Y

G

G

Y

L

P

V

G

G

D

D

G

S

I

L

N

N

G

P

V

I

F

V

G

D

A

A

L

V

H

-

R

R

A

Q

S

S

D

D

N

-

M

I

D

E

F

W

I

V

Q

H

V

V

R

R

H

N

E

E

M

A

A

A

F

F

M

A

A

A

C

G

A

A

H

E

A

S

K

L

F

I

T

T

G

G

E

E

V

L

G

A

V

V

C

C

V

A

A

A

T

S

S

C

G

G

P

P

G

G

A

N

I

T

H

H

L

L

L

I

N

Q

G

G

L

L

Y

Y

D

D

A

S

K

H

L

R

D

N

H

G

Q

A

P

K

V

V

V

L

A

A

I

I

V

A

G

S

Q

H

Q

I

K

P

R

S

M

A

A

Q

L

I

G

G

G

S

N

T

F

F

Q

F

Q

Q

E

E

V

T

D

H

L

P

V

E

T

I

L

L

F

F

K

K

D

E

V

C

A

S

H

-

E

G

Y

Y

V

C

H

E

M

M

V

V

T

N

T

G

P

G

A

E

Q

Q

A

G

R

E

H

R

V

I

I

L

D

H

R

H

A

A

M

I

R

Q

I

S

A

T

Q

M

A

A

E

G

R

K

N

G

V

V

C

S

C

V

I

V

L

I

P

P

N

G

D

D

V

I

Q

A

E

K

M

E

D

D

A

A

E

G

K

D

P

G

P

T

R

Y

E

S

H

N

G

S

S

T

I

I

H

S

S

S

G

G

L

-

G

-

Y

-

V

-

A

T

P

P

R

V

T

V

V

F

P

P

H

D

A

P

E

T

E

E

L

A

Q

A

R

A

A

L

A

V

D

E

I

A

L

I

N

N

A

N

G

A

E

K

K

S

V

V

A

T

M

L

L

F

V

C

G
|
G

A

A

G
|
G

A

V

L

K

H

N

A

A

S

R

A

A

E

Q

I

V

L

L

E

E

V

L

A

A

D

E

L

K

L

I

G

K

A

S

G

P

I

I

A

G

K

H

A
|
A

L
|
L

L
x
G

G

G

K

K

A

Q

A

Y

V

I

P

Q

D

H

D

E

L

N

P

P

Y

F

V

E

T

V

G

G

S

M

I

S

G
|
G

L

L

L
|
L

G

G

T

Y

R

G

P

A

S

C

Y

V

D

D

M

A

M

S

T

N

D

E

C

A

D

D

T

L

L

L

L

I

M

L

V

L

G
|
G

S
x
T

S
x
D

F
|
F

P
|
P

Y
|
Y

S

S

E

D

F

F

L

L

P

P

E

K

E

D

G

N

Q

V

A

A

R

-

G

-

V

-

Q

Q

I

V

D
|
D

I
|
I

N

N

G

G

R

A

L
x
H

I

I

G

G

I

R

R

R

Y

T

P

T

M

V

E

K

V

Y

N

P

L

V

V

T

G

G

D
|
D

S
x
V

V

A

E

A

T

T

L

I

R

E

L

N

L

I

M

L

P

P

L

H

L

V

S

K

K

E

K

K

E

T

G

D

R

R

S

S

W

F

R

L

R

D

R

R

I

M

E

L

K

K

N

A

V

H

E

E

E

R

W

K

W

L

E

S

T

S

M

V

E

V

E

E

-

T

-

Y

-

T

R

H

A

N

M

V

E

E

P

K

A

H

H

V

P

P

I

I

N

H

P

P

Q

E

R

Y

V

V

F

A

W

S

E

I

L

L

S

N

P

E

R

L

L

A

P

D

D

K

N

D

C

A

I

V

L

F

T

T

C

V

D

D

S

T

G
|
G

S
x
M

A

C

A
x
N

N

V

W

W

Y

H

A

A

R

R

D

Y

L

I

K

E

I

N

R

P

Q

E

G

G

-

T

-

R

-

D

M

F

M

V

A

G

S

S

L
x
F

S
x
R

G

H

G

G

L

-

A

-

T

T

M
|
M

G

A

P

N

G

A

V

L

P

P

Y

H

A

A

I

I

A

G

A

A

K

Q

F

S

A

V

H

D

P

R

E

N

R

R

V

Q

V

V

I

I

A

A

L

M

I

C

G
|
G

D
|
D

G
|
G

A
x
G

M

L

Q

G

M
|
M

N

L

G

L

M

G

N

E

E

L

L

L

I

T

T

V

I

-

G

-

K

-

Y

-

W

-

Q

-

R

K

W

L

R

H

D

Q

P

L

R

P

L

L

I

K

V

A

M

V

V

V

L

F

N

N

N
|
N

R

S

D
x
S

L
|
L

N
x
G

Q
x
M

V
|
V

T

K

W

L

E

E

Q

M

R

-

A

L

M

V

E

E

G

G

D

Q

P

P

K

E

F

F

N

G

A

T

S

D

Q

H

D

E

V

E

P

V

D

N

F

F

P

-

Y

-

A

A

R

E

M

I

A

A

E

A

L

A

I

A

G

G

L

I

L

K

G

S

I

V

R

R

V

I

D

T

Q

D

P

P

E

K

Q

K

I

V

T

R

D

E

A

Q

W

L

E

A

R

E

A

A

L

L

G

A

A

Y

D

P

R

G

P

P

V

V

V

L

L

I

E

D

A

I

Y

V

A

T

D

D

P

P

D

N

V

A

P

L

P

S

L

I

P

P

H

T

I

I

T

T

F

W

K

E

Q

Q

A

V

K

M

A

G

Y

F

A

S

S

K

A

A

V

A

L

T

K

R

-

T

-

V

-

F

-

G

G

G

D

V

P

G

D

A

S

M

V

I

D

D

M

L

I

A

K

R

A

S

S

N

I

I

N

R

Q

N

I

I

binding flavin-adenine dinucleotide: G208 (= G216), G210 (= G218), A232 (= A240), L233 (= L241), G234 (≠ L242), G251 (= G259), L253 (= L261), G272 (= G280), T273 (≠ S281), D274 (≠ S282), F275 (= F283), P276 (= P284), Y277 (= Y285), D290 (= D301), I291 (= I302), H295 (≠ L306), D309 (= D320), V310 (≠ S321), N385 (≠ A393), F405 (≠ L410), R406 (≠ S411)
binding magnesium ion: D435 (= D442), N462 (= N475), S464 (≠ D477)
binding thiamine diphosphate: G382 (= G390), M383 (≠ S391), M410 (= M417), G434 (= G441), D435 (= D442), G436 (= G443), G437 (≠ A444), M440 (= M447), S464 (≠ D477), L465 (= L478), G466 (≠ N479), M467 (≠ Q480), V468 (= V481)

2ezuA Pyruvate oxidase variant f479w in complex with reaction intermediate 2-acetyl-thiamin diphosphate (see paper)
30% identity, 92% coverage: 9:550/588 of query aligns to 9:541/585 of 2ezuA

query
sites
2ezuA

L

V

V

I

R

K

R

V

L

L

S

E

E

A

W

W

G

G

V

V

K

D

R

H

I

L

F

Y

G

G

Y
x
I

P

P

G
|
G

D
x
G

G
x
S

I
|
I

N

N

G

S

V

I

F

M

G

D

A

A

L

L

H

S

R

A

A

E

S

R

D

D

N

R

M

I

D

H

F

Y

I

I

Q

Q

V

V

R

R

H

H

E
|
E

E

E

M

V

A

G

A

A

F

M

M

A

A

A

C

A

A

A

H

D

A

A

K

K

F

L

T

T

G

G

E

K

V

I

G

G

V

V

C

C

V

F

A

G

T
x
S

S

A

G

G

P

P

G

G

A

G

I

T

H

H

L

L

L

M

N

N

G

G

L

L

Y

Y

D

D

A

A

K

R

L

E

D

D

H
|
H

Q

V

P

P

V

V

V

L

A

A

I

L

V

I

G

G

Q

Q

Q

F

K

G

R

T

M

T

A

G

L

M

G

N

G

M

N

D

F

T

Q
x
F

Q
|
Q

E
|
E

V

M

D

N

L

E

V

N

T

P

L

I

F

Y

K

A

D

D

V

V

A

A

H

-

E

D

Y

Y

V

N

H

V

M

T

V

A

T

V

T

N

P

A

A

A

Q

T

A

L

R

P

H

H

V

V

I

I

D

D

R

E

A

A

M

I

R

R

I

R

A

A

Q

Y

A

A

E

H

R

Q

N

G

V

V

C

A

C

V

I

V

I

Q

L

I

P

P

N
x
V

D

D

V

L

-

P

-

W

Q

Q

E

Q

M

I

D

P

A

A

E

E

K

D

P

-

R

-

E

W

H

Y

G

A

S

S

I

A

H

N

S

S

G

Y

L

Q

G

T

Y

P

V

L

A

L

P

P

R

E

T

-

V

-

P

P

H

D

A

V

E

Q

E

A

L

V

Q

T

R

R

A

L

A

T

D

Q

I

T

L

L

N

L

A

A

G

A

E

E

K

R

V

P

A

L

M

I

L

Y

V

Y

G
|
G

A
x
I

G
|
G

A

A

L

R

H

K

A

A

S

G

A

K

E

E

I

L

L

E

E

Q

V

L

A

S

D

K

L

T

L

L

G

K

A

I

G

P

I

L

A

M

K

S

A
x
T

L
x
Y

L
x
P

G

A

K

K

A

G

A

I

V

V

P

A

D

D

D

R

L

Y

P

P

Y

A

V

Y

T

L

G

G

S

S

I
x
A

G
x
N

L
x
R

L
x
V

G

A

T

Q

R

K

P

P

S

A

Y

N

D

E

M

A

M

L

T

A

D

Q

C

A

D

D

T

V

L

V

L

L

M

F

V

V

G
|
G

S
x
N

F

Y

P
|
P

Y
x
F

S

A

E
|
E

F

V

L

S

P

K

E

A

E

F

G

K

Q

N

A

T

R

R

-

Y

G

F

V

L

Q

Q

I

I

D
|
D

I
|
I

N

D

G

P

R

A

L
x
K

I

L

G

G

I

K

R

R

Y

H

P

K

M

T

E

D

V

I

N

A

L

V

V

L

G

A

D
|
D

S
x
A

V

Q

E

K

T

T

L

L

R

A

L

A

L

I

M

L

P

A

L

Q

L

V

S

S

K

E

K

R

E

E

G

S

R

T

S

P

W

W

R

W

R

Q

R

A

I

N

E

L

K

A

N

N

V

V

E

K

E

N

W

W

W

R

E

A

T

Y

M

L

E

A

E

S

R

L

A

E

M

D

E

K

P

Q

A

E

H

G

P

P

I

L

N

Q

P

A

Q

Y

R

Q

V

V

F

L

W

R

E

A

L

V

S

N

P

K

R

I

L

A

P

E

D

P

N

D

C

A

I

I

L

Y

T

S

C

I

D

D

S
x
V

G

G

S
x
D

A

I

A

N

N

L

W

N

Y

A

A

N

R

R

D

H

L

L

K

K

I

L

R

T

Q

P

G

S

M

N

M

R

A

H

S

I

L

T

S

S

G
x
N

G

L

L

F

A
|
A

T

T

M
|
M

G

G

P

V

G

G

V

I

P

P

Y

G

A

A

I

I

A

A

K

K

F

L

A

N

H

Y

P

P

E

E

R

R

V

Q

V

V

I

F

A

N

L

L

I

A

G
|
G

D
|
D

G
|
G

A

G

M

A

Q

S

M

M

N

T

G

-

M

M

N

Q

E

D

L

L

I

A

T

T

I

Q

G

V

K

Q

Y

Y

W

-

Q

-

R

-

W

-

R

-

D

H

P

L

R

P

L

V

I

I

V

N

M

V

V

V

L

F

N

T

N
|
N

R

C

D
x
Q

L
x
Y

N
x
G

Q
x
W

V
x
I

T

K

W

D

E
|
E

Q

Q

R

E

A

D

M

T

E

N

G

Q

D

N

P

D

-

F

-

I

-

G

-

V

K

E

F

F

N

N

A

-

S

-

Q

-

D

-

V

-

P

-

D

D

F

I

P

D

Y

F

A

S

R

K

M

I

A

A

E

D

L

G

I

V

G

H

L

M

L

Q

G

A

I

F

R

R

V

V

D

N

Q

K

P

I

E

E

Q

Q

I

L

T

P

D

D

A

V

W

F

E

E

-

Q

-

A

R

K

A

A

L

I

G

A

A

Q

D

H

R

E

P

P

V

V

V

L

L

I

E

D

A

A

Y

V

A

I

D

T

P
x
G

D

D

V

R

P

P

active site: I24 (≠ Y24), G26 (= G26), G27 (≠ D27), S28 (≠ G28), I29 (= I29), E51 (= E51), S74 (≠ T74), F113 (≠ Q113), Q114 (= Q114), E115 (= E115), V162 (≠ N163), R256 (≠ L260), E283 (= E287), V386 (≠ S389), A412 (= A415), M414 (= M417), D439 (= D442), N466 (= N475), Q468 (≠ D477), Y469 (≠ L478), W471 (≠ Q480), I472 (≠ V481), E475 (= E484), G538 (≠ P547)
binding flavin-adenine dinucleotide: H93 (= H93), G212 (= G216), I213 (≠ A217), G214 (= G218), T236 (≠ A240), Y237 (≠ L241), P238 (≠ L242), A254 (≠ I258), N255 (≠ G259), R256 (≠ L260), V257 (≠ L261), G276 (= G280), N277 (≠ S281), N278 (≠ S282), P280 (= P284), F281 (≠ Y285), D298 (= D301), I299 (= I302), K303 (≠ L306), D317 (= D320), A318 (≠ S321), N409 (≠ G412)
binding 2-acetyl-thiamine diphosphate: V386 (≠ S389), D388 (≠ S391), M414 (= M417), G438 (= G441), G440 (= G443), N466 (= N475), Q468 (≠ D477), Y469 (≠ L478), G470 (≠ N479), W471 (≠ Q480), I472 (≠ V481)
binding magnesium ion: D439 (= D442), N466 (= N475), Q468 (≠ D477)

Sites not aligning to the query:

binding pyruvic acid: 547, 549, 550, 554

2ez9A Pyruvate oxidase variant f479w in complex with reaction intermediate analogue 2-phosphonolactyl-thiamin diphosphate (see paper)
30% identity, 92% coverage: 9:550/588 of query aligns to 9:541/585 of 2ez9A

query
sites
2ez9A

L

V

V

I

R

K

R

V

L

L

S

E

E

A

W

W

G

G

V

V

K

D

R

H

I

L

F

Y

G

G

Y
x
I

P

P

G
|
G

D
x
G

G
x
S

I
|
I

N

N

G

S

V

I

F

M

G

D

A

A

L

L

H

S

R

A

A

E

S

R

D

D

N

R

M

I

D

H

F

Y

I

I

Q

Q

V

V

R

R

H

H

E
|
E

E

E

M

V

A

G

A

A

F

M

M

A

A

A

C

A

A

A

H

D

A

A

K

K

F

L

T

T

G

G

E

K

V

I

G

G

V

V

C

C

V

F

A

G

T
x
S

S

A

G

G

P

P

G

G

A

G

I

T

H

H

L

L

L

M

N

N

G

G

L

L

Y

Y

D

D

A

A

K

R

L

E

D

D

H
|
H

Q

V

P

P

V

V

V

L

A

A

I

L

V

I

G

G

Q

Q

Q

F

K

G

R

T

M

T

A

G

L

M

G

N

G

M

N

D

F

T

Q
x
F

Q
|
Q

E
|
E

V

M

D

N

L

E

V

N

T

P

L

I

F

Y

K

A

D

D

V

V

A

A

H

-

E

D

Y

Y

V

N

H

V

M

T

V

A

T

V

T

N

P

A

A

A

Q

T

A

L

R

P

H

H

V

V

I

I

D

D

R

E

A

A

M

I

R

R

I

R

A

A

Q

Y

A

A

E

H

R

Q

N

G

V

V

C

A

C

V

I

V

I

Q

L

I

P

P

N
x
V

D

D

V

L

-

P

-

W

Q

Q

E

Q

M

I

D

P

A

A

E

E

K

D

P

-

R

-

E

W

H

Y

G

A

S

S

I

A

H

N

S

S

G

Y

L

Q

G

T

Y

P

V

L

A

L

P

P

R

E

T

-

V

-

P

P

H

D

A

V

E

Q

E

A

L

V

Q

T

R

R

A

L

A

T

D

Q

I

T

L

L

N

L

A

A

G

A

E

E

K

R

V

P

A

L

M

I

L

Y

V

Y

G
|
G

A
x
I

G
|
G

A

A

L

R

H

K

A

A

S

G

A

K

E

E

I

L

L

E

E

Q

V

L

A

S

D

K

L

T

L

L

G

K

A

I

G

P

I

L

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A
x
T

L
x
Y

L
x
P

G

A

K

K

A

G

A

I

V

V

P

A

D

D

D

R

L

Y

P

P

Y

A

V

Y

T

L

G

G

S

S

I
x
A

G
x
N

L
x
R

L
x
V

G

A

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Q

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K

P

P

S

A

Y

N

D

E

M

A

M

L

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D

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C

A

D

D

T

V

L

V

L

L

M

F

V

V

G
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G

S
x
N

F

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P
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P

Y
x
F

S

A

E
|
E

F

V

L

S

P

K

E

A

E

F

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Q

N

A

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R

-

Y

G

F

V

L

Q

Q

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I

D
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D

I
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I

N

D

G

P

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A

L
x
K

I

L

G

G

I

K

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R

Y

H

P

K

M

T

E

D

V

I

N

A

L

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D

S
x
A

V

Q

E

K

T

T

L

L

R

A

L

A

L

I

M

L

P

A

L

Q

L

V

S

S

K

E

K

R

E

E

G

S

R

T

S

P

W

W

R

W

R

Q

R

A

I

N

E

L

K

A

N

N

V

V

E

K

E

N

W

W

W

R

E

A

T

Y

M

L

E

A

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L

A

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M

D

E

K

P

Q

A

E

H

G

P

P

I

L

N

Q

P

A

Q

Y

R

Q

V

V

F

L

W

R

E

A

L

V

S

N

P

K

R

I

L

A

P

E

D

P

N

D

C

A

I

I

L

Y

T

S

C

I

D

D

S
x
V

G

G

S
x
D

A

I

A

N

N

L

W

N

Y

A

A

N

R

R

D

H

L

L

K

K

I

L

R

T

Q

P

G

S

M

N

M

R

A

H

S

I

L

T

S

S

G
x
N

G

L

L

F

A
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A

T

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M
|
M

G

G

P

V

G

G

V

I

P

P

Y

G

A

A

I

I

A

A

K

K

F

L

A

N

H

Y

P

P

E

E

R

R

V

Q

V

V

I

F

A

N

L

L

I

A

G
|
G

D
|
D

G
|
G

A

G

M

A

Q

S

M

M

N

T

G

-

M

M

N

Q

E

D

L

L

I

A

T

T

I

Q

G

V

K

Q

Y

Y

W

-

Q

-

R

-

W

-

R

-

D

H

P

L

R

P

L

V

I

I

V

N

M

V

V

V

L

F

N

T

N
|
N

R

C

D
x
Q

L
x
Y

N
x
G

Q
x
W

V
x
I

T

K

W

D

E
|
E

Q

Q

R

E

A

D

M

T

E

N

G

Q

D

N

P

D

-

F

-

I

-

G

-

V

K

E

F

F

N

N

A

-

S

-

Q

-

D

-

V

-

P

-

D

D

F

I

P

D

Y

F

A

S

R

K

M

I

A

A

E

D

L

G

I

V

G

H

L

M

L

Q

G

A

I

F

R

R

V

V

D

N

Q

K

P

I

E

E

Q

Q

I

L

T

P

D

D

A

V

W

F

E

E

-

Q

-

A

R

K

A

A

L

I

G

A

A

Q

D

H

R

E

P

P

V

V

V

L

L

I

E

D

A

A

Y

V

A

I

D

T

P
x
G

D

D

V

R

P

P

active site: I24 (≠ Y24), G26 (= G26), G27 (≠ D27), S28 (≠ G28), I29 (= I29), E51 (= E51), S74 (≠ T74), F113 (≠ Q113), Q114 (= Q114), E115 (= E115), V162 (≠ N163), R256 (≠ L260), E283 (= E287), V386 (≠ S389), A412 (= A415), M414 (= M417), D439 (= D442), N466 (= N475), Q468 (≠ D477), Y469 (≠ L478), W471 (≠ Q480), I472 (≠ V481), E475 (= E484), G538 (≠ P547)
binding flavin-adenine dinucleotide: H93 (= H93), G212 (= G216), I213 (≠ A217), G214 (= G218), T236 (≠ A240), Y237 (≠ L241), P238 (≠ L242), A254 (≠ I258), N255 (≠ G259), R256 (≠ L260), V257 (≠ L261), G276 (= G280), N277 (≠ S281), N278 (≠ S282), P280 (= P284), F281 (≠ Y285), D298 (= D301), I299 (= I302), K303 (≠ L306), D317 (= D320), A318 (≠ S321), N409 (≠ G412)
binding magnesium ion: D439 (= D442), N466 (= N475), Q468 (≠ D477)
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 (≠ S389), D388 (≠ S391), M414 (= M417), G438 (= G441), G440 (= G443), N466 (= N475), Q468 (≠ D477), Y469 (≠ L478), G470 (≠ N479), W471 (≠ Q480), I472 (≠ V481), E475 (= E484)

2ez8A Pyruvate oxidase variant f479w in complex with reaction intermediate 2-lactyl-thiamin diphosphate (see paper)
30% identity, 92% coverage: 9:550/588 of query aligns to 9:541/585 of 2ez8A

query
sites
2ez8A

L

V

V

I

R

K

R

V

L

L

S

E

E

A

W

W

G

G

V

V

K

D

R

H

I

L

F

Y

G

G

Y
x
I

P

P

G
|
G

D
x
G

G
x
S

I
|
I

N

N

G

S

V

I

F

M

G

D

A

A

L

L

H

S

R

A

A

E

S

R

D

D

N

R

M

I

D

H

F

Y

I

I

Q

Q

V

V

R

R

H

H

E
|
E

E

E

M

V

A

G

A

A

F

M

M

A

A

A

C

A

A

A

H

D

A

A

K

K

F

L

T

T

G

G

E

K

V

I

G

G

V

V

C

C

V

F

A

G

T
x
S

S

A

G

G

P

P

G

G

A

G

I

T

H

H

L

L

L

M

N

N

G

G

L

L

Y

Y

D

D

A

A

K

R

L

E

D

D

H
|
H

Q

V

P

P

V

V

V

L

A

A

I

L

V

I

G

G

Q

Q

Q

F

K

G

R

T

M

T

A

G

L

M

G

N

G

M

N

D

F

T

Q
x
F

Q
|
Q

E
|
E

V

M

D

N

L

E

V

N

T

P

L

I

F

Y

K

A

D

D

V

V

A

A

H

-

E

D

Y

Y

V

N

H

V

M

T

V

A

T

V

T

N

P

A

A

A

Q

T

A

L

R

P

H

H

V

V

I

I

D

D

R

E

A

A

M

I

R

R

I

R

A

A

Q

Y

A

A

E

H

R

Q

N

G

V

V

C

A

C

V

I

V

I

Q

L

I

P

P

N
x
V

D

D

V

L

-

P

-

W

Q

Q

E

Q

M

I

D

P

A

A

E

E

K

D

P

-

R

-

E

W

H

Y

G

A

S

S

I

A

H

N

S

S

G

Y

L

Q

G

T

Y

P

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L

A

L

P

P

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E

T

-

V

-

P

P

H

D

A

V

E

Q

E

A

L

V

Q

T

R

R

A

L

A

T

D

Q

I

T

L

L

N

L

A

A

G

A

E

E

K

R

V

P

A

L

M

I

L

Y

V

Y

G
|
G

A
x
I

G
|
G

A

A

L

R

H

K

A

A

S

G

A

K

E

E

I

L

L

E

E

Q

V

L

A

S

D

K

L

T

L

L

G

K

A

I

G

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I

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A

M

K

S

A
x
T

L
x
Y

L
x
P

G

A

K

K

A

G

A

I

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A

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D

R

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Y

P

P

Y

A

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G

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S

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x
A

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x
N

L
x
R

L
x
V

G

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C

A

D

D

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L

L

M

F

V

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G
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G

S
x
N

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x
F

S

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E
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E

F

V

L

S

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E

A

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G

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I

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E

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A

I

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A

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A

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D

P

N

D

C

A

I

I

L

Y

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C

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x
V

G

G

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x
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N

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L

L

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K

I

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M

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I

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K

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D

-

F

-

I

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active site: I24 (≠ Y24), G26 (= G26), G27 (≠ D27), S28 (≠ G28), I29 (= I29), E51 (= E51), S74 (≠ T74), F113 (≠ Q113), Q114 (= Q114), E115 (= E115), V162 (≠ N163), R256 (≠ L260), E283 (= E287), V386 (≠ S389), A412 (= A415), M414 (= M417), D439 (= D442), N466 (= N475), Q468 (≠ D477), Y469 (≠ L478), W471 (≠ Q480), I472 (≠ V481), E475 (= E484), G538 (≠ P547)
binding flavin-adenine dinucleotide: H93 (= H93), G212 (= G216), I213 (≠ A217), G214 (= G218), T236 (≠ A240), Y237 (≠ L241), P238 (≠ L242), A254 (≠ I258), N255 (≠ G259), R256 (≠ L260), V257 (≠ L261), G276 (= G280), N277 (≠ S281), N278 (≠ S282), P280 (= P284), F281 (≠ Y285), D298 (= D301), I299 (= I302), K303 (≠ L306), D317 (= D320), A318 (≠ S321), N390 (≠ A393), N409 (≠ G412)
binding magnesium ion: D439 (= D442), N466 (= N475), Q468 (≠ D477)
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 (≠ S391), M414 (= M417), G438 (= G441), G440 (= G443), N466 (= N475), Q468 (≠ D477), Y469 (≠ L478), G470 (≠ N479), W471 (≠ Q480), I472 (≠ V481)

Sites not aligning to the query:

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

2ez4B Pyruvate oxidase variant f479w (see paper)
30% identity, 92% coverage: 9:550/588 of query aligns to 9:541/585 of 2ez4B

query
sites
2ez4B

L

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active site: I24 (≠ Y24), G26 (= G26), G27 (≠ D27), S28 (≠ G28), I29 (= I29), E51 (= E51), S74 (≠ T74), F113 (≠ Q113), Q114 (= Q114), E115 (= E115), V162 (≠ N163), R256 (≠ L260), E283 (= E287), V386 (≠ S389), A412 (= A415), M414 (= M417), D439 (= D442), N466 (= N475), Q468 (≠ D477), Y469 (≠ L478), W471 (≠ Q480), I472 (≠ V481), E475 (= E484), G538 (≠ P547)
binding flavin-adenine dinucleotide: H93 (= H93), G212 (= G216), I213 (≠ A217), G214 (= G218), T236 (≠ A240), Y237 (≠ L241), P238 (≠ L242), A254 (≠ I258), N255 (≠ G259), R256 (≠ L260), V257 (≠ L261), G276 (= G280), N277 (≠ S281), N278 (≠ S282), P280 (= P284), F281 (≠ Y285), D298 (= D301), I299 (= I302), K303 (≠ L306), D317 (= D320), A318 (≠ S321), N409 (≠ G412)
binding magnesium ion: D439 (= D442), N466 (= N475), Q468 (≠ D477)
binding phosphate ion: W471 (≠ Q480), E475 (= E484)
binding thiamine diphosphate: D388 (≠ S391), A412 (= A415), M414 (= M417), G438 (= G441), D439 (= D442), G440 (= G443), G441 (≠ A444), N466 (= N475), Q468 (≠ D477), Y469 (≠ L478), G470 (≠ N479), W471 (≠ Q480), I472 (≠ V481)

1powA The refined structures of a stabilized mutant and of wild-type pyruvate oxidase from lactobacillus plantarum (see paper)
30% identity, 92% coverage: 9:550/588 of query aligns to 9:541/585 of 1powA

query
sites
1powA

L

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active site: I24 (≠ Y24), G26 (= G26), G27 (≠ D27), S28 (≠ G28), I29 (= I29), E51 (= E51), S74 (≠ T74), F113 (≠ Q113), Q114 (= Q114), E115 (= E115), V162 (≠ N163), R256 (≠ L260), E283 (= E287), V386 (≠ S389), A412 (= A415), M414 (= M417), D439 (= D442), N466 (= N475), Q468 (≠ D477), Y469 (≠ L478), F471 (≠ Q480), I472 (≠ V481), E475 (= E484), G538 (≠ P547)
binding flavin-adenine dinucleotide: H93 (= H93), G212 (= G216), I213 (≠ A217), G214 (= G218), T236 (≠ A240), Y237 (≠ L241), A254 (≠ I258), V257 (≠ L261), G276 (= G280), N277 (≠ S281), N278 (≠ S282), Y279 (≠ F283), P280 (= P284), F281 (≠ Y285), D298 (= D301), I299 (= I302), K303 (≠ L306), D317 (= D320), A318 (≠ S321), N409 (≠ G412)
binding magnesium ion: D439 (= D442), N466 (= N475), Q468 (≠ D477)
binding thiamine diphosphate: D388 (≠ S391), M414 (= M417), G440 (= G443), N466 (= N475), Q468 (≠ D477), Y469 (≠ L478), G470 (≠ N479), F471 (≠ Q480), I472 (≠ V481)

4feeA High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal b (see paper)
30% identity, 92% coverage: 9:550/588 of query aligns to 9:541/586 of 4feeA

query
sites
4feeA

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binding flavin-adenine dinucleotide: H93 (= H93), G212 (= G216), I213 (≠ A217), G214 (= G218), T236 (≠ A240), Y237 (≠ L241), P238 (≠ L242), A254 (≠ I258), N255 (≠ G259), V257 (≠ L261), G276 (= G280), N277 (≠ S281), N278 (≠ S282), P280 (= P284), F281 (≠ Y285), D298 (= D301), I299 (= I302), K303 (≠ L306), D317 (= D320), A318 (≠ S321), N390 (≠ A393), N409 (≠ G412)
binding magnesium ion: D439 (= D442), N466 (= N475), Q468 (≠ D477)
binding pyruvic acid: N255 (≠ G259), R256 (≠ L260)
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 (≠ S389), D388 (≠ S391), A412 (= A415), M414 (= M417), G438 (= G441), G440 (= G443), N466 (= N475), Q468 (≠ D477), Y469 (≠ L478), G470 (≠ N479), F471 (≠ Q480), I472 (≠ V481)

Sites not aligning to the query:

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

9ev4A Pyruvate:quinone oxidoreductase (pqo) from corynebacterium glutamicum cs176 (see paper)
29% identity, 98% coverage: 9:586/588 of query aligns to 7:552/553 of 9ev4A

query
sites
9ev4A

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A

M

V

V

V

L

F

N

N

R

S

D

E

L

V

N

N

Q

-

V

-

T

-

W

-

E

-

Q

-

R

-

A

-

M

-

E

-

G

-

D

-

P

-

K

-

F

-

N

-

A

-

S

-

Q

-

D

-

V

-

P

-

D

-

F

-

P

-

Y

F

A

A

R

D

M

I

A

A

E

A

L

A

I

A

G

G

L

I

L

K

G

S

I

V

R

R

V

I

D

T

Q

D

P

P

E

T

Q

K

I

V

T

R

D

E

A

Q

W

L

E

A

R

D

A

A

L

L

G

A

A

Y

D

P

R

G

P

P

V

V

V

L

L

I

E

D

A

I

Y

V

A

T

D

D

P

P

D

N

V

A

P

L

P

S

L

I

P

P

H

T

I

I

T

T

F

W

K

E

Q

Q

A

V

K

M

A

G

Y

F

A

S

S

K

A

A

V

A

L

T

K

R

-

T

-

V

-

F

-

G

G

G

D

V

P

G

D

A

S

M

V

I

D

D

M

L

I

A

K

R

A

S

S

N

I

I

N

R

Q

N

I

I

binding flavin-adenine dinucleotide: G207 (= G216), A208 (= A217), G209 (= G218), A231 (= A240), L232 (= L241), G233 (≠ L242), G250 (= G259), L252 (= L261), G271 (= G280), T272 (≠ S281), D273 (≠ S282), F274 (= F283), Y276 (= Y285), D289 (= D301), I290 (= I302), H294 (≠ L306), D308 (= D320), V309 (≠ S321), N384 (≠ A393), F404 (≠ L410), R405 (≠ S411)

1y9dD Pyruvate oxidase variant v265a from lactobacillus plantarum (see paper)
29% identity, 92% coverage: 9:550/588 of query aligns to 9:516/560 of 1y9dD

query
sites
1y9dD

L

V

V

I

R

K

R

V

L

L

S

E

E

A

W

W

G

G

V

V

K

D

R

H

I

L

F

Y

G

G

Y
x
I

P

P

G
|
G

D
x
G

G
x
S

I
|
I

N

N

G

S

V

I

F

M

G

D

A

A

L

L

H

S

R

A

A

E

S

R

D

D

N

R

M

I

D

H

F

Y

I

I

Q

Q

V

V

R

R

H

H

E
|
E

E

E

M

V

A

G

A

A

F

M

M

A

A

A

C

A

A

A

H

D

A

A

K

K

F

L

T

T

G

G

E

K

V

I

G

G

V

V

C

C

V

F

A

G

T
x
S

S

A

G

G

P
|
P

G

G

A

G

I

T

H
|
H

L

L

L

M

N

N

G

G

L

L

Y

Y

D

D

A

A

K

R

L

E

D

D

H

H

Q

V

P

P

V

V

V

L

A

A

I

L

V

I

G

G

Q

Q

Q

F

K

G

R

T

M

T

A

G

L

-

G

-

N

-

F

-

Q

-

E
|
E

V

M

D

N

L

E

V

N

T

P

L

I

F

Y

K

A

D

D

V

V

A

A

H

-

E

D

Y

Y

V

N

H

V

M

T

V

A

T

V

T

N

P

A

A

A

Q

T

A

L

R

P

H

H

V

V

I

I

D

D

R

E

A

A

M

I

R

R

I

R

A

A

Q

Y

A

A

E

H

R

Q

N

G

V

V

C

A

C

V

I

V

I

Q

L

I

P

P

N
x
V

D

D

V

L

-

P

-

W

Q

Q

E

Q

M

I

D

P

A

A

E

E

K

D

P

-

R

-

E

-

H

-

G

-

S

-

I

-

H

-

S

-

G

-

L

-

G

-

Y

W

V

Y

A

A

P

S

R

A

T

P

V

E

P

P

H

D

A

V

E

Q

E

A

L

V

Q

T

R

R

A

L

A

T

D

Q

I

T

L

L

N

L

A

A

G

A

E

E

K

R

V

P

A

L

M

I

L

Y

V

Y

G

G

A
x
I

G
|
G

A

A

L

R

H

K

A

A

S

G

A

K

E

E

I

L

L

E

E

Q

V

L

A

S

D

K

L

T

L

L

G

K

A

I

G

P

I

L

A

M

K

S

A
x
T

L

Y

L
x
P

G

A

K

K

A

G

A

I

V

V

P

A

D

D

D

R

L

Y

P

P

Y

A

V

Y

T

L

G

G

S

S

I

A

G

N

L
x
R

L

A

G

A

T

Q

R

K

P

P

S

A

Y

N

D

E

M

A

M

L

T

A

D

Q

C

A

D

D

T

V

L

V

L

L

M

F

V

V

G
|
G

S
x
N

F

Y

P

N

Y

T

S

R

E

Y

F

F

L

L

P

-

E

-

G

-

Q

-

A

-

R

-

G

-

V

-

Q

Q

I

I

D
|
D

I
|
I

N

D

G

P

R

A

L
x
K

I

L

G

G

I

K

R

R

Y

H

P

K

M

T

E

D

V

I

N

A

L

V

V

L

G

A

D
|
D

S
x
A

V

Q

E

K

T

T

L

L

R

A

L

A

L

I

M

L

P

A

L

Q

L

V

S

S

K

E

K

R

E

E

G

S

R

T

S

P

W

W

R

W

R

Q

R

A

I

N

E

L

K

A

N

N

V

V

E

K

E

N

W

W

W

R

E

A

T

Y

M

L

E

A

E

S

R

L

A

E

M

D

E

K

P

Q

A

E

H

G

P

P

I

L

N

Q

P

A

Q

Y

R

Q

V

V

F

L

W

R

E

A

L

V

S

N

P

K

R

I

L

A

P

E

D

P

N

D

C

A

I

I

L

Y

T

S

C

I

D

D

S
x
V

G

G

S
x
D

A

I

A

N

N

L

W

N

Y

A

A

N

R

R

D

H

L

L

K

K

I

L

R

T

Q

P

G

S

M

N

M

R

A

H

S

I

L

T

S

S

G

N

G

L

L

F

A
|
A

T

T

M
|
M

G

G

P

V

G

G

V

I

P

P

Y

G

A

A

I

I

A

A

K

K

F

L

A

N

H

Y

P

P

E

E

R

R

V

Q

V

V

I

F

A

N

L

L

I

A

G
|
G

D
|
D

G
|
G

A

G

M

A

Q

S

M

M

N

T

G

-

M

M

N

Q

E

D

L

L

I

A

T

T

I

Q

G

V

K

Q

Y

Y

W

-

Q

-

R

-

W

-

R

-

D

H

P

L

R

P

L

V

I

I

V

N

M

V

V

V

L

F

N

T

N
|
N

R

C

D
x
Q

L
x
Y

N
x
G

Q
x
F

V
x
I

T

K

W

D

E
|
E

Q

Q

R

E

A

D

M

T

E

N

G

Q

D

N

P

D

K

F

F

I

N

G

A

V

S

-

Q

-

D

E

V

F

P

N

D

D

F

I

P

D

Y

F

A

S

R

K

M

I

A

A

E

D

L

G

I

V

G

H

L

M

L

Q

G

A

I

F

R

R

V

V

D

N

Q

K

P

I

E

E

Q

Q

I

L

T

P

D

D

A

V

W

F

E

E

-

Q

-

A

R

K

A

A

L

I

G

A

A

Q

D

H

R

E

P

P

V

V

V

L

L

I

E

D

A

A

Y

V

A

I

D

T

P
x
G

D

D

V

R

P

P

active site: I24 (≠ Y24), G26 (= G26), G27 (≠ D27), S28 (≠ G28), I29 (= I29), E51 (= E51), S74 (≠ T74), E108 (= E115), V155 (≠ N163), R241 (≠ L260), V361 (≠ S389), A387 (= A415), M389 (= M417), D414 (= D442), N441 (= N475), Q443 (≠ D477), Y444 (≠ L478), F446 (≠ Q480), I447 (≠ V481), E450 (= E484), G513 (≠ P547)
binding flavin-adenine dinucleotide: I198 (≠ A217), G199 (= G218), T221 (≠ A240), P223 (≠ L242), G261 (= G280), N262 (≠ S281), N263 (≠ S282), D273 (= D301), I274 (= I302), K278 (≠ L306), D292 (= D320), A293 (≠ S321)
binding magnesium ion: D414 (= D442), N441 (= N475), Q443 (≠ D477)
binding thiamine diphosphate: E51 (= E51), S74 (≠ T74), P77 (= P77), H81 (= H81), D363 (≠ S391), M389 (= M417), G413 (= G441), G415 (= G443), N441 (= N475), Q443 (≠ D477), Y444 (≠ L478), G445 (≠ N479), F446 (≠ Q480), I447 (≠ V481)

2djiA Crystal structure of pyruvate oxidase from aerococcus viridans containing fad (see paper)
27% identity, 97% coverage: 2:571/588 of query aligns to 3:562/590 of 2djiA

query
sites
2djiA

K

K

E

I

N

N

V

I

S

G

D

L

F

A

L

V

V

M

R

K

R

I

L

L

S

E

E

S

W

W

G

G

V

A

K

D

R

T

I

I

F

Y

G

G

Y
x
I

P

P

G
x
S

D
x
G

G
x
T

I
x
L

N

S

G

S

V

L

F

M

G

D

A

A

L

M

H

G

R

E

A

E

S

E

D

N

N

N

M

V

D

K

F

F

I

L

Q

Q

V

V

R

K

H

H

E
|
E

E

E

M

V

A

G

A

A

F

M

M

A

A

A

C

V

A

M

H

Q

A

S

K

K

F

F

T

G

G

G

E

N

V

L

G

G

V

V

C

T

V

V

A

G

T
x
S

S

G

G

G

P

P

G

G

A

A

I

S

H

H

L

L

L

I

N

N

G

G

L

L

Y

Y

D

D

A

A

K

A

L

M

D

D

H

N

Q

I

P

P

V

V

A

A

I

I

V

L

G

G

Q

S

Q

R

K

P

R

Q

M

R

A

E

L

L

G

N

G

M

N

D

F

A

Q
x
F

Q
|
Q

E

E

V

L

D

N

L

Q

V

N

T

P

L

M

F

Y

K

D

D

H

V

I

A

A

H

-

E

V

Y

Y

V

N

H

R

M

R

V

V

T

A

T

Y

P

A

A

E

Q

Q

A

L

R

P

H

K

V

L

I

V

D

D

R

E

A

A

M

A

R

R

I

M

A

A

Q

I

A

A

E

K

R

R

N

G

V

V

C

A

C

V

I

L

I

E

L

V

P

P

N
x
G

D

D

V

F

Q

A

E

K

M

V

D

E

A

I

E

D

K

N

P

-

P

D

R

Q

E

W

H

Y

G

S

S

S

I

A

H

N

S

S

G

L

L

R

G

K

Y

Y

V

-

A

A

P

P

R

-

T

I

V

A

P

P

H

A

A

A

E

Q

E

D

L

I

Q

D

R

A

A

A

A

V

D

E

I

L

L

L

N

N

A

N

G

S

E

K

K

R

V

P

A

V

M

I

L

Y

V

A

G
|
G

A
x
I

G
|
G

A

T

L

M

H

G

A

H

S

G

A

P

E

A

I

V

L

Q

E

E

V

L

A

A

D

R

L

K

L

I

G

K

A

A

G

P

I

V

A

I

K

T

A
x
T

L
x
G

L
x
K

G

N

K

F

A

E

A

T

V

F

P

E

D

W

D

D

L

F

P

E

Y

A

V

L

T

T

G

G

S

S

I
x
T

G
x
Y

L
x
R

L
x
V

G

G

T

W

R

K

P

P

S

A

Y

N

D

E

M

T

M

I

T

L

D

E

C

A

D

D

T

T

L

V

L

L

M

F

V

A

G
|
G

S
|
S

S
x
N

F
|
F

P
|
P

Y
x
F

S

S

E
|
E

F

V

L

-

P

-

E

-

E

E

G

G

Q

T

A

F

R

R

G

N

V

V

-

D

-

N

-

F

-

I

Q

Q

I

I

D
|
D

I
|
I

N

D

G

P

R

A

L
x
M

I

L

G

G

I

K

R

R

Y

H

P

H

M

A

E

D

V

V

N

A

L

I

V

L

G

G

D
|
D

S
x
A

V

A

E

L

T

A

L

I

R

D

L

E

L

I

M

L

P

N

L

K

L

V

S

D

K

A

K

V

E

E

G

E

R

S

S

A

W

W

R

W

R

T

R

A

I

N

E

L

K

K

N

N

V

I

E

A

E

N

W

W

W

R

E

E

T

Y

M

I

E

N

E

M

R

L

A

E

M

T

E

K

P

E

A

E

H

G

P

D

I

L

N

Q

P

F

Q

Y

R

Q

V

V

F

Y

W

N

E

A

L

I

S

N

P

N

R

H

L

A

P

D

D

E

N

D

C

A

I

I

L

Y

T

S

C

I

D

D

S
x
V

G

G

S

N

A

S

A

T

N

Q

W

T

Y

S

A

I

R

R

D

H

L

L

K

H

I

M

R

T

Q

P

G

K

M

N

M

M

A

W

S

R

L

T

S

S

G
x
P

G

L

L

F

A
|
A

T

T

M
|
M

G

G

P

I

G

A

V

I

P

P

Y

G

A

G

I

L

A

G

A

A

K

K

F

N

A

T

H

Y

P

P

E

D

R

R

V

Q

V

V

I

W

A

N

L

I

I

I

G

G

D
|
D

G

G

A

A

M

F

Q

S

M

M

N

T

G

Y

M

P

N

D

E

V

L

V

I

T

T

N

I

V

G

-

K

-

Y

-

W

-

Q

-

R

R

W

Y

R

N

D

M

P

P

R

V

L

I

I

N

V

V

M

V

V

F

L

S

N
|
N

N

-

R

-

D

-

L

-

N

T

Q
x
E

V
x
Y

T

A

W
x
F

E
x
I

Q

K

R

N

A
x
K

M

Y

E

E

G

D

D

T

P

N

K

K

F

N

N

L

A

F

S

G

Q

V

D

D

V

F

P

T

D

D

F

V

P

D

Y

Y

A

A

R

K

M

I

A

A

E

E

L

A

I

Q

G

G

L

A

L

K

G

G

I

F

R

T

V

V

D

S

Q

R

P

I

E

E

Q

D

I

M

T

D

D

R

A

V

W

M

E

A

R

E

A

A

L

V

G

A

A

A

D

N

R

K

-

A

-

G

-

H

P

T

V

V

L

I

E

D

A

C

Y

K

A

I

D

T

P
x
Q

D

D

V

-

P

R

P

P

L

I

P

P

P

V

H

E

I

T

T

L

F

K

K

L

Q

D

A

S

K

K

A

L

Y

Y

A

S

S

E

A

D

V

E

L

I

K

K

G

A

active site: I25 (≠ Y24), S27 (≠ G26), G28 (≠ D27), T29 (≠ G28), L30 (≠ I29), E52 (= E51), S75 (≠ T74), F114 (≠ Q113), Q115 (= Q114), G163 (≠ N163), R257 (≠ L260), E284 (= E287), V387 (≠ S389), A413 (= A415), M415 (= M417), D440 (= D442), N467 (= N474), E469 (≠ Q480), Y470 (≠ V481), F472 (≠ W483), I473 (≠ E484), K476 (≠ A487), Q539 (≠ P547)
binding flavin-adenine dinucleotide: G213 (= G216), I214 (≠ A217), G215 (= G218), T237 (≠ A240), G238 (≠ L241), K239 (≠ L242), T255 (≠ I258), Y256 (≠ G259), R257 (≠ L260), V258 (≠ L261), G277 (= G280), S278 (= S281), N279 (≠ S282), F280 (= F283), P281 (= P284), F282 (≠ Y285), D299 (= D301), I300 (= I302), M304 (≠ L306), D318 (= D320), A319 (≠ S321), P410 (≠ G412)

1v5gA Crystal structure of the reaction intermediate between pyruvate oxidase containing fad and tpp, and substrate pyruvate (see paper)
27% identity, 97% coverage: 2:571/588 of query aligns to 2:561/589 of 1v5gA

query
sites
1v5gA

K

K

E

I

N

N

V

I

S

G

D

L

F

A

L

V

V

M

R

K

R

I

L

L

S

E

E

S

W

W

G

G

V

A

K

D

R

T

I

I

F

Y

G

G

Y

I

P

P

G

S

D

G

G

T

I

L

N

S

G

S

V

L

F

M

G

D

A

A

L

M

H

G

R

E

A

E

S

E

D

N

N

N

M

V

D

K

F

F

I

L

Q

Q

V

V

R

K

H

H

E

E

M

V

A

G

A

A

F

M

M

A

A

A

C

V

A

M

H

Q

A

S

K

K

F

F

T

G

G

G

E

N

V

L

G

G

V

V

C

T

V

V

A

G

T

S

S

G

G

G

P

P

G

G

A

A

I

S

H

H

L

L

L

I

N

N

G

G

L

L

Y

Y

D

D

A

A

K

A

L

M

D

D

H

N

Q

I

P

P

V

V

A

A

I

I

V

L

G

G

Q

S

Q

R

K

P

R

Q

M

R

A

E

L

L

G

N

G

M

N

D

F

A

Q

F

Q

Q

E

E

V

L

D

N

L

Q

V

N

T

P

L

M

F

Y

K

D

D

H

V

I

A

A

H

-

E

V

Y

Y

V

N

H

R

M

R

V

V

T

A

T

Y

P

A

A

E

Q

Q

A

L

R

P

H

K

V

L

I

V

D

D

R

E

A

A

M

A

R

R

I

M

A

A

Q

I

A

A

E

K

R

R

N

G

V

V

C

A

C

V

I

L

I

E

L

V

P

P

N

G

D

D

V

F

Q

A

E

K

M

V

D

E

A

I

E

D

K

N

P

-

P

D

R

Q

E

W

H

Y

G

S

S

S

I

A

H

N

S

S

G

L

L

R

G

K

Y

Y

V

-

A

A

P

P

R

-

T

I

V

A

P

P

H

A

A

A

E

Q

E

D

L

I

Q

D

R

A

A

A

A

V

D

E

I

L

L

L

N

N

A

N

G

S

E

K

K

R

V

P

A

V

M

I

L

Y

V

A

G
|
G

A
x
I

G
|
G

A

T

L

M

H

G

A

H

S

G

A

P

E

A

I

V

L

Q

E

E

V

L

A

A

D

R

L

K

L

I

G

K

A

A

G

P

I

V

A

I

K

T

A
x
T

L
x
G

L
x
K

G

N

K

F

A

E

A

T

V

F

P

E

D

W

D

D

L

F

P

E

Y

A

V

L

T

T

G

G

S

S

I
x
T

G
x
Y

L
x
R

L
x
V

G

G

T

W

R

K

P

P

S

A

Y

N

D

E

M

T

M

I

T

L

D

E

C

A

D

D

T

T

L

V

L

L

M

F

V

A

G
|
G

S
|
S

S
x
N

F
|
F

P

P

Y
x
F

S

S

E

E

F

V

L

-

P

-

E

-

E

E

G

G

Q

T

A

F

R

R

G

N

V

V

-

D

-

N

-

F

-

I

Q

Q

I

I

D
|
D

I
|
I

N

D

G

P

R

A

L
x
M

I

L

G

G

I

K

R

R

Y

H

P

H

M

A

E

D

V

V

N

A

L

I

V

L

G

G

D
|
D

S
x
A

V

A

E

L

T

A

L

I

R

D

L

E

L

I

M

L

P

N

L

K

L

V

S

D

K

A

K

V

E

E

G

E

R

S

S

A

W

W

R

W

R

T

R

A

I

N

E

L

K

K

N

N

V

I

E

A

E

N

W

W

W

R

E

E

T

Y

M

I

E

N

E

M

R

L

A

E

M

T

E

K

P

E

A

E

H

G

P

D

I

L

N

Q

P

F

Q

Y

R

Q

V

V

F

Y

W

N

E

A

L

I

S

N

P

N

R

H

L

A

P

D

D

E

N

D

C

A

I

I

L

Y

T

S

C

I

D

D

S
x
V

G

G

S
x
N

A

S

A

T

N

Q

W

T

Y

S

A

I

R

R

D

H

L

L

K

H

I

M

R

T

Q

P

G

K

M

N

M

M

A

W

S

R

L

T

S

S

G
x
P

G

L

L

F

A

A

T

T

M
|
M

G

G

P

I

G

A

V

I

P

P

Y

G

A

G

I

L

A

G

A

A

K

K

F

N

A

T

H

Y

P

P

E

D

R

R

V

Q

V

V

I

W

A

N

L

I

I

I

G
|
G

D
|
D

G
|
G

A
|
A

M

F

Q

S

M

M

N

T

G

Y

M

P

N

D

E

V

L

V

I

T

T

N

I

V

G

-

K

-

Y

-

W

-

Q

-

R

R

W

Y

R

N

D

M

P

P

R

V

L

I

I

N

V

V

M

V

V

F

L

S

N
|
N

N

-

R

-

D

-

L

-

N

T

Q
x
E

V
x
Y

T
x
A

W
x
F

E
x
I

Q

K

R

N

A

K

M

Y

E

E

G

D

D

T

P

N

K

K

F

N

N

L

A

F

S

G

Q

V

D

D

V

F

P

T

D

D

F

V

P

D

Y

Y

A

A

R

K

M

I

A

A

E

E

L

A

I

Q

G

G

L

A

L

K

G

G

I

F

R

T

V

V

D

S

Q

R

P

I

E

E

Q

D

I

M

T

D

D

R

A

V

W

M

E

A

R

E

A

A

L

V

G

A

A

A

D

N

R

K

-

A

-

G

-

H

P

T

V

V

L

I

E

D

A

C

Y

K

A

I

D

T

P

Q

D

D

V

-

P

R

P

P

L

I

P

P

P

V

H

E

I

T

T

L

F

K

K

L

Q

D

A

S

K

K

A

L

Y

Y

A

S

S

E

A

D

V

E

L

I

K

K

G

A

binding flavin-adenine dinucleotide: G212 (= G216), I213 (≠ A217), G214 (= G218), T236 (≠ A240), G237 (≠ L241), K238 (≠ L242), T254 (≠ I258), Y255 (≠ G259), R256 (≠ L260), V257 (≠ L261), G276 (= G280), S277 (= S281), N278 (≠ S282), F279 (= F283), F281 (≠ Y285), D298 (= D301), I299 (= I302), M303 (≠ L306), D317 (= D320), A318 (≠ S321), P409 (≠ G412)
binding 2-acetyl-thiamine diphosphate: V386 (≠ S389), N388 (≠ S391), M414 (= M417), G438 (= G441), G440 (= G443), A441 (= A444), N466 (= N474), E468 (≠ Q480), Y469 (≠ V481), A470 (≠ T482), F471 (≠ W483), I472 (≠ E484)
binding magnesium ion: D439 (= D442), N466 (= N474), E468 (≠ Q480)

1v5fA Crystal structure of pyruvate oxidase complexed with fad and tpp, from aerococcus viridans (see paper)
27% identity, 97% coverage: 2:571/588 of query aligns to 2:561/589 of 1v5fA

query
sites
1v5fA

K

K

E

I

N

N

V

I

S

G

D

L

F

A

L

V

V

M

R

K

R

I

L

L

S

E

E

S

W

W

G

G

V

A

K

D

R

T

I

I

F

Y

G

G

Y

I

P

P

G

S

D

G

G

T

I

L

N

S

G

S

V

L

F

M

G

D

A

A

L

M

H

G

R

E

A

E

S

E

D

N

N

N

M

V

D

K

F

F

I

L

Q

Q

V

V

R

K

H

H

E

E

M

V

A

G

A

A

F

M

M

A

A

A

C

V

A

M

H

Q

A

S

K

K

F

F

T

G

G

G

E

N

V

L

G

G

V

V

C

T

V

V

A

G

T

S

S

G

G

G

P

P

G

G

A

A

I

S

H

H

L

L

L

I

N

N

G

G

L

L

Y

Y

D

D

A

A

K

A

L

M

D

D

H

N

Q

I

P

P

V

V

A

A

I

I

V

L

G

G

Q

S

Q

R

K

P

R

Q

M

R

A

E

L

L

G

N

G

M

N

D

F

A

Q

F

Q

Q

E

E

V

L

D

N

L

Q

V

N

T

P

L

M

F

Y

K

D

D

H

V

I

A

A

H

-

E

V

Y

Y

V

N

H

R

M

R

V

V

T

A

T

Y

P

A

A

E

Q

Q

A

L

R

P

H

K

V

L

I

V

D

D

R

E

A

A

M

A

R

R

I

M

A

A

Q

I

A

A

E

K

R

R

N

G

V

V

C

A

C

V

I

L

I

E

L

V

P

P

N

G

D

D

V

F

Q

A

E

K

M

V

D

E

A

I

E

D

K

N

P

-

P

D

R

Q

E

W

H

Y

G

S

S

S

I

A

H

N

S

S

G

L

L

R

G

K

Y

Y

V

-

A

A

P

P

R

-

T

I

V

A

P

P

H

A

A

A

E

Q

E

D

L

I

Q

D

R

A

A

A

A

V

D

E

I

L

L

L

N

N

A

N

G

S

E

K

K

R

V

P

A

V

M

I

L

Y

V

A

G
|
G

A
x
I

G
|
G

A

T

L

M

H

G

A

H

S

G

A

P

E

A

I

V

L

Q

E

E

V

L

A

A

D

R

L

K

L

I

G

K

A

A

G

P

I

V

A

I

K

T

A
x
T

L
x
G

L
x
K

G

N

K

F

A

E

A

T

V

F

P

E

D

W

D

D

L

F

P

E

Y

A

V

L

T

T

G

G

S

S

I
x
T

G
x
Y

L
x
R

L
x
V

G

G

T

W

R

K

P

P

S

A

Y

N

D

E

M

T

M

I

T

L

D

E

C

A

D

D

T

T

L

V

L

L

M

F

V

A

G
|
G

S
|
S

S
x
N

F
|
F

P
|
P

Y
x
F

S

S

E

E

F

V

L

-

P

-

E

-

E

E

G

G

Q

T

A

F

R

R

G

N

V

V

-

D

-

N

-

F

-

I

Q

Q

I

I

D
|
D

I
|
I

N

D

G

P

R

A

L
x
M

I

L

G

G

I

K

R

R

Y

H

P

H

M

A

E

D

V

V

N

A

L

I

V

L

G

G

D
|
D

S
x
A

V

A

E

L

T

A

L

I

R

D

L

E

L

I

M

L

P

N

L

K

L

V

S

D

K

A

K

V

E

E

G

E

R

S

S

A

W

W

R

W

R

T

R

A

I

N

E

L

K

K

N

N

V

I

E

A

E

N

W

W

W

R

E

E

T

Y

M

I

E

N

E

M

R

L

A

E

M

T

E

K

P

E

A

E

H

G

P

D

I

L

N

Q

P

F

Q

Y

R

Q

V

V

F

Y

W

N

E

A

L

I

S

N

P

N

R

H

L

A

P

D

D

E

N

D

C

A

I

I

L

Y

T

S

C

I

D

D

S

V

G

G

S
x
N

A
x
S

A

T

N

Q

W

T

Y

S

A

I

R

R

D

H

L

L

K

H

I

M

R

T

Q

P

G

K

M

N

M

M

A

W

S

R

L

T

S

S

G
x
P

G

L

L

F

A

A

T

T

M
|
M

G

G

P

I

G

A

V

I

P

P

Y

G

A

G

I

L

A

G

A

A

K

K

F

N

A

T

H

Y

P

P

E

D

R

R

V

Q

V

V

I

W

A

N

L

I

I

I

G
|
G

D
|
D

G
|
G

A

A

M

F

Q

S

M

M

N

T

G

Y

M

P

N

D

E

V

L

V

I

T

T

N

I

V

G

-

K

-

Y

-

W

-

Q

-

R

R

W

Y

R

N

D

M

P

P

R

V

L

I

I

N

V

V

M

V

V

F

L

S

N
|
N

N

-

R

-

D

-

L

-

N

T

Q

E

V
x
Y

T
x
A

W
x
F

E
x
I

Q

K

R

N

A

K

M

Y

E

E

G

D

D

T

P

N

K

K

F

N

N

L

A

F

S

G

Q

V

D

D

V

F

P

T

D

D

F

V

P

D

Y

Y

A

A

R

K

M

I

A

A

E

E

L

A

I

Q

G

G

L

A

L

K

G

G

I

F

R

T

V

V

D

S

Q

R

P

I

E

E

Q

D

I

M

T

D

D

R

A

V

W

M

E

A

R

E

A

A

L

V

G

A

A

A

D

N

R

K

-

A

-

G

-

H

P

T

V

V

L

I

E

D

A

C

Y

K

A

I

D

T

P

Q

D

D

V

-

P

R

P

P

L

I

P

P

P

V

H

E

I

T

T

L

F

K

K

L

Q

D

A

S

K

K

A

L

Y

Y

A

S

S

E

A

D

V

E

L

I

K

K

G

A

binding flavin-adenine dinucleotide: G212 (= G216), I213 (≠ A217), G214 (= G218), T236 (≠ A240), G237 (≠ L241), K238 (≠ L242), T254 (≠ I258), Y255 (≠ G259), R256 (≠ L260), V257 (≠ L261), G276 (= G280), S277 (= S281), N278 (≠ S282), F279 (= F283), P280 (= P284), F281 (≠ Y285), D298 (= D301), I299 (= I302), M303 (≠ L306), D317 (= D320), A318 (≠ S321), P409 (≠ G412)
binding magnesium ion: D439 (= D442), N466 (= N474)
binding thiamine diphosphate: N388 (≠ S391), S389 (≠ A392), M414 (= M417), G438 (= G441), G440 (= G443), N466 (= N474), Y469 (≠ V481), A470 (≠ T482), F471 (≠ W483), I472 (≠ E484)

8xodA BbmA-G484F complex with CBOA
31% identity, 93% coverage: 7:554/588 of query aligns to 8:525/532 of 8xodA

query
sites
8xodA

D

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L

L

L

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L

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D

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K

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A

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P

binding 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(~{R})-cyclobutyl(oxidanyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate: G28 (≠ D27), E51 (= E51), P77 (= P77), S371 (= S391), M397 (= M417), G421 (= G441), D422 (= D442), A423 (≠ G443), A424 (= A444), N449 (= N475), H452 (≠ L478), G453 (≠ N479), L454 (≠ Q480)
binding adenosine-5'-diphosphate: R158 (= R154), G215 (= G216), H216 (≠ A217), G217 (= G218), A221 (= A222), T241 (≠ A240), G283 (= G280), S284 (= S281), S285 (= S282), Q290 (≠ P284), D308 (= D301), I309 (= I302), E313 (≠ L306), A328 (≠ S321)
binding magnesium ion: D422 (= D442), N449 (= N475)

8x3xB Thdp-dependent hka synthase
30% identity, 93% coverage: 7:554/588 of query aligns to 7:524/537 of 8x3xB

query
sites
8x3xB

D

E

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x
Q

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K

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A

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A

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A

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A

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L

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L

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P

binding adenosine-5'-diphosphate: R157 (= R154), G214 (= G216), H215 (≠ A217), C219 (≠ H221), A220 (= A222), T240 (≠ A240), K242 (≠ L242), G282 (= G280), S283 (= S281), S284 (= S282), Q289 (≠ P284), D307 (= D301), I308 (= I302), D326 (= D320), A327 (≠ S321)
binding 3-(4-hydroxy-phenyl)pyruvic acid: G27 (≠ D27), M30 (≠ N30), V454 (= V481), G457 (≠ E484), Q461 (≠ E489)
binding magnesium ion: D421 (= D442), N448 (= N475), G450 (≠ D477)
binding thiamine diphosphate: E50 (= E51), T73 (= T74), S370 (= S391), M396 (= M417), G420 (= G441), D421 (= D442), A422 (≠ G443), A423 (= A444), N448 (= N475), G450 (≠ D477), H451 (≠ L478), G452 (≠ N479), L453 (≠ Q480)

Sites not aligning to the query:

binding 3-(4-hydroxy-phenyl)pyruvic acid: 529, 533

P09342 Acetolactate synthase 1, chloroplastic; ALS I; Acetohydroxy-acid synthase I; Acetolactate synthase I; EC 2.2.1.6 from Nicotiana tabacum (Common tobacco) (see 2 papers)
29% identity, 91% coverage: 6:542/588 of query aligns to 97:635/667 of P09342

query
sites
P09342

S

S

D

D

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L

L

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A

L

L

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E

E

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E

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G

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A

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C161 (= C71) modified: Disulfide link with 307
P194 (≠ K104) mutation to Q: In C3; highly resistant to sulfonylurea herbicides.
C307 (≠ A219) modified: Disulfide link with 161

P09114 Acetolactate synthase 2, chloroplastic; ALS II; Acetohydroxy-acid synthase II; Acetolactate synthase II; EC 2.2.1.6 from Nicotiana tabacum (Common tobacco) (see paper)
30% identity, 91% coverage: 6:542/588 of query aligns to 94:632/664 of P09114

query
sites
P09114

S

S

D

D

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|
W

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P191 (≠ K104) mutation to A: In S4-Hra; highly resistant to sulfonylurea herbicides; when associated with L-568.
W568 (= W483) mutation to L: In S4-Hra; highly resistant to sulfonylurea herbicides; when associated with A-191.

7egvA Acetolactate synthase from trichoderma harzianum with inhibitor harzianic acid (see paper)
29% identity, 91% coverage: 17:553/588 of query aligns to 21:556/590 of 7egvA

query
sites
7egvA

G

G

V

V

K

K

R

H

I

I

F

F

G

G

Y
|
Y

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|
P

G
|
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G

G
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|
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|
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|
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active site: Y28 (= Y24), G30 (= G26), G31 (≠ D27), A32 (≠ G28), I33 (= I29), E54 (= E51), T77 (= T74), F116 (≠ Q113), Q117 (= Q114), K166 (≠ N163), E220 (= E225), M256 (≠ L260), V283 (vs. gap), V400 (≠ S389), L425 (= L414), G426 (≠ A415), M428 (= M417), Q483 (≠ L478), M485 (≠ Q480), V486 (= V481), W489 (≠ E484), L511 (≠ M508), G516 (= G513), I517 (≠ L514)
binding flavin-adenine dinucleotide: R156 (= R154), G209 (= G216), Q210 (≠ A217), G211 (= G218), T236 (≠ A240), L237 (= L241), H238 (≠ L242), G276 (= G280), S277 (= S281), R278 (≠ S282), D280 (≠ P284), R282 (vs. gap), V283 (vs. gap), E309 (≠ D301), I310 (= I302), D328 (= D320), V329 (≠ S321), M405 (≠ N394), G423 (= G412), G424 (= G413)
binding (2S)-3-methyl-2-[[(2S,4R)-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid: F493 (≠ M488), Y494 (≠ E489)
binding magnesium ion: D453 (= D442), N480 (= N475), E482 (≠ D477)
binding 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogendiphosphate: P29 (= P25), E54 (= E51), Q117 (= Q114), V400 (≠ S389), G401 (= G390), Q402 (≠ S391), H403 (≠ A392), G426 (≠ A415), M428 (= M417), D453 (= D442), A454 (≠ G443), S455 (≠ A444), E482 (≠ D477), Q483 (≠ L478), G484 (≠ N479), M485 (≠ Q480), V486 (= V481)

6denA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide iodomuron ethyl (see paper)
29% identity, 91% coverage: 18:553/588 of query aligns to 29:565/599 of 6denA

query
sites
6denA

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active site: Y35 (= Y24), G37 (= G26), G38 (≠ D27), A39 (≠ G28), I40 (= I29), E61 (= E51), T84 (= T74), F123 (≠ Q113), Q124 (= Q114), E125 (= E115), K173 (≠ N163), K230 (vs. gap), M266 (≠ L260), V293 (vs. gap), V409 (≠ S389), L434 (= L414), G435 (≠ A415), M437 (= M417), D462 (= D442), N489 (= N475), E491 (≠ D477), Q492 (≠ L478), M494 (≠ Q480), V495 (= V481), W498 (≠ E484), L520 (≠ M508), N525 (≠ G513), V526 (≠ L514)
binding flavin-adenine dinucleotide: R163 (= R154), G219 (= G216), A220 (= A217), G221 (= G218), N224 (≠ H221), T246 (≠ A240), L247 (= L241), Q248 (≠ L242), L264 (≠ I258), G286 (= G280), A287 (≠ S281), R288 (≠ S282), D290 (≠ P284), R292 (vs. gap), V293 (vs. gap), E319 (≠ D301), I320 (= I302), N324 (≠ L306), D338 (= D320), V339 (≠ S321), M414 (≠ N394), G432 (= G412)
binding ethyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate: M266 (≠ L260), D291 (vs. gap), R292 (vs. gap), W498 (≠ E484)
binding magnesium ion: D462 (= D442), N489 (= N475), E491 (≠ D477)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V409 (≠ S389), G410 (= G390), Q411 (≠ S391), H412 (≠ A392), G435 (≠ A415), M437 (= M417), G461 (= G441), D462 (= D442), A463 (≠ G443), S464 (≠ A444), N489 (= N475), E491 (≠ D477), Q492 (≠ L478), G493 (≠ N479), M494 (≠ Q480), V495 (= V481)

Query Sequence

>WP_020565375.1 NCBI__GCF_000372865.1:WP_020565375.1
MKENVSDFLVRRLSEWGVKRIFGYPGDGINGVFGALHRASDNMDFIQVRHEEMAAFMACA
HAKFTGEVGVCVATSGPGAIHLLNGLYDAKLDHQPVVAIVGQQKRMALGGNFQQEVDLVT
LFKDVAHEYVHMVTTPAQARHVIDRAMRIAQAERNVCCIILPNDVQEMDAEKPPREHGSI
HSGLGYVAPRTVPHAEELQRAADILNAGEKVAMLVGAGALHASAEILEVADLLGAGIAKA
LLGKAAVPDDLPYVTGSIGLLGTRPSYDMMTDCDTLLMVGSSFPYSEFLPEEGQARGVQI
DINGRLIGIRYPMEVNLVGDSVETLRLLMPLLSKKEGRSWRRRIEKNVEEWWETMEERAM
EPAHPINPQRVFWELSPRLPDNCILTCDSGSAANWYARDLKIRQGMMASLSGGLATMGPG
VPYAIAAKFAHPERVVIALIGDGAMQMNGMNELITIGKYWQRWRDPRLIVMVLNNRDLNQ
VTWEQRAMEGDPKFNASQDVPDFPYARMAELIGLLGIRVDQPEQITDAWERALGADRPVV
LEAYADPDVPPLPPHITFKQAKAYASAVLKGDPDSVDMIKASINQIFP

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