SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_029911903.1 NCBI__GCF_000711315.1:WP_029911903.1 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)

5d6rB Acetolactate synthase from klebsiella pneumoniae in complex with mechanism-based inhibitor
32% identity, 97% coverage: 4:537/550 of query aligns to 8:544/548 of 5d6rB

query
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5d6rB

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active site: I26 (= I22), G28 (= G24), A29 (≠ E25), K30 (≠ E26), I31 (≠ N27), E51 (= E47), T74 (= T70), H113 (≠ F109), Q114 (= Q110), S115 (≠ I111), Q163 (≠ E159), L254 (= L250), E281 (≠ P277), M386 (≠ N379), Q412 (≠ A405), M414 (= M407), D439 (= D432), D466 (= D459), G468 (≠ A461), Y469 (≠ F462), M471 (= M464), V472 (≠ I465), Q475 (≠ K468), Y535 (= Y528)
binding 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(Z)-2-fluoro-1-hydroxy-2-phosphonoethenyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium: M386 (≠ N379), G387 (= G380), S388 (≠ I381), Q412 (≠ A405), M414 (= M407), D439 (= D432), G440 (= G433), G468 (≠ A461), Y469 (≠ F462), N470 (≠ G463), M471 (= M464), Y535 (= Y528)
binding magnesium ion: R63 (= R59), Q212 (≠ R209), D439 (= D432), D466 (= D459), G468 (≠ A461)

1ozgA The crystal structure of klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactor and with an unusual intermediate (see paper)
32% identity, 97% coverage: 4:537/550 of query aligns to 9:547/549 of 1ozgA

query
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1ozgA

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active site: I27 (= I22), G29 (= G24), A30 (≠ E25), K31 (≠ E26), I32 (≠ N27), E52 (= E47), T75 (= T70), H114 (≠ F109), Q115 (= Q110), S116 (≠ I111), Q164 (≠ E159), L257 (= L250), E284 (≠ P277), M389 (≠ N379), Q415 (≠ A405), M417 (= M407), D442 (= D432), D469 (= D459), G471 (≠ A461), Y472 (≠ F462), M474 (= M464), V475 (≠ I465), Q478 (≠ K468), Y538 (= Y528)
binding 2-hydroxyethyl dihydrothiachrome diphosphate: M389 (≠ N379), G390 (= G380), S391 (≠ I381), F392 (≠ Y382), Q415 (≠ A405), M417 (= M407), G441 (= G431), D442 (= D432), G443 (= G433), D469 (= D459), G471 (≠ A461), Y472 (≠ F462), N473 (≠ G463), M474 (= M464), V475 (≠ I465), Y538 (= Y528)
binding magnesium ion: D442 (= D432), D469 (= D459), G471 (≠ A461)
binding phosphate ion: G253 (= G246), R254 (≠ C247), Q261 (≠ D254), R347 (≠ F334), R398 (= R388), Y401 (≠ L391)

1ozfA The crystal structure of klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactors (see paper)
32% identity, 97% coverage: 4:537/550 of query aligns to 8:543/545 of 1ozfA

query
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1ozfA

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G

P

P

G

G

A

C

T

S

N

N

L

L

V

I

T

T

A

G

A

M

A

A

Y

T

A

A

N

N

L

S

G

E

A

G

M

D

P

P

M

V

V

V

M

A

I

L

T

G

G

G

Q

A

K

V

P

K

I

R

K

A

S

D

S

K

K

A

Q

K

G

Q

R

V

F
x
H

Q
|
Q

I
x
S

I

M

D

D

V

T

V

V

N

A

L

M

M

F

E

S

P

P

I

V

T

T

K

K

Y

Y

S

A

C

I

Q

E

I

V

T

T

S

A

G

P

Q

D

V

A

I

L

P

A

A

E

R

V

I

V

R

S

E

N

A

A

F

F

D

R

V

A

A

A

Q

E

T

Q

E

G

R

R

P

P

G

G

A

S

T

A

H

F

L

V

E

S

L

L

P

P

E
x
Q

D

D

I

V

A

V

I

D

E

G

E

P

T

V

G

S

A

G

Q

K

I

V

I

L

E

-

H

-

S

P

T

A

H

P

R

Q

R

M

P

G

L

A

A

A

E

P

N

D

K

D

A

A

V

I

E

D

K

Q

A

V

V

A

E

K

M

L

I

I

Q

A

K

Q

A

A

K

K

S

N

P

P

L

I

I

F

L

L

V

L

G

G

A

L

G

M

A

A

N

S

R

Q

K

P

T

E

S

N

G

S

K

K

M

A

L

L

R

R

Q

R

F

L

I

L

D

E

K

T

T

S

G

H

I

I

P

P

F

V

F

T

T

S

T

T

Q

Y

M

Q

G

A

K

A

G

G

V

A

I

V

D

N

E

Q

R

D

H

N

-

F

H

S

L

R

Y

F

L

A

G
|
G

C
x
R

A

V

A

G

L
|
L

S

F

D

N

N

N

D
x
Q

F

A

V

G

H

D

A

R

A

L

I

L

R

Q

S

L

T

A

D

D

L

L

I

V

I

I

N

C

V

I

G

G

H

Y

D

S

V

P

V

V

E

E

K

Y

P
x
E

P

P

F

A

F

M

M

W

K

N

P

S

D

G

G

N

F

A

K

T

V

L

I

V

H

H

I

I

N

D

Y

V

T

L

N

P

A

A

S

Y

V

E

D

E

P

R

V

N

Y

Y

F

T

P

P

Q

D

A

V

E

E

V

L

T

V

G

G

D

D

I

I

A

A

N

G

A

T

I

L

Y

N

Q

K

I

L

K

A

E

Q

K

N

I

I

E

D

R

H

Q

R

I

L

H

V

W

L

D

S

-

P

-

Q

-

A

-

E

-

I

F

L

K

R

N

D

F
x
R

F

Q

E

H

E

Q

K

R

I

E

L

L

I

L

D

D

E

-

N

-

L

-

Q

R

E

R

G

G

A

A

T

Q

D

L

D

N

R

Q

F

F

P

A

I

L

Y

H

P

P

Q

L

R

R

L

I

V

V

H

R

D

A

V

M

R

Q

S

D

V

I

L

V

P

N

D

S

N

D

G

V

I

T

I

L

A

T

L

V

D

D

N
x
M

G
|
G

I
x
S

Y
x
F

K

H

I

I

W

W

F

I

A

A

R
|
R

N

Y

Y
x
L

L
x
Y

A

T

Y

F

R

R

H

A

N

R

T

Q

V

V

L

M

L

I

D

S

N

N

A

G

L

Q

A
x
Q

T

T

M
|
M

G

G

A

V

G

A

L

L

P

P

S

W

A

A

I

I

A

G

A

A

K

W

L

L

V

V

N

N

P

P

D

E

E

R

R

K

V

V

I

V

A

S

I

V

C

S

G
|
G

D
|
D

G
|
G

G

G

F

F

M

L

M

Q

N

S

S

S

A

M

E

E

L

L

E

E

T

T

A

A

V

V

R

R

L

L

K

K

L

A

D

N

L

V

V

L

V

H

L

L

I

I

L

W

N

V

D
|
D

N

N

A
x
G

F
x
Y

G
x
N

M
|
M

I
x
V

K

A

W

I

K
x
Q

Q

E

A

E

N

K

L

K

G

Y

F

Q

E

R

D

L

F

S

G

G

L

V

D

E

L

F

N

G

N

P

P

M

D

D

F

F

V

K

L

A

Y

Y

A

A

Q

E

S

S

Y

F

G

G

A

A

I

K

G

G

H

F

R

A

I

V

H

E

K

S

A

A

E

E

E

A

L

L

I

E

P

P

K

T

L

L

E

R

N

A

C

A

F

M

E

D

D

V

G

D

G

G

I

P

H

A

V

V

I

V

E

A

V

I

P

P

M

V

D

D

Y
|
Y

S

R

E

D

N

N

D

P

R

L

I

L

L

M

N

G

H

Q

active site: I26 (= I22), G28 (= G24), A29 (≠ E25), K30 (≠ E26), I31 (≠ N27), E51 (= E47), T74 (= T70), H113 (≠ F109), Q114 (= Q110), S115 (≠ I111), Q163 (≠ E159), L253 (= L250), E280 (≠ P277), M385 (≠ N379), Q411 (≠ A405), M413 (= M407), D438 (= D432), D465 (= D459), G467 (≠ A461), Y468 (≠ F462), M470 (= M464), V471 (≠ I465), Q474 (≠ K468), Y534 (= Y528)
binding magnesium ion: D438 (= D432), D465 (= D459), G467 (≠ A461)
binding phosphate ion: G249 (= G246), R250 (≠ C247), Q257 (≠ D254), R343 (≠ F334), R394 (= R388), L396 (≠ Y390), Y397 (≠ L391)
binding thiamine diphosphate: G386 (= G380), S387 (≠ I381), F388 (≠ Y382), Q411 (≠ A405), M413 (= M407), G437 (= G431), D438 (= D432), G439 (= G433), D465 (= D459), G467 (≠ A461), Y468 (≠ F462), N469 (≠ G463), M470 (= M464), V471 (≠ I465), Y534 (= Y528)

5dx6B Acetolactate synthase from klebsiella pneumoniae soaked with beta- fluoropyruvate
32% identity, 97% coverage: 4:537/550 of query aligns to 20:550/557 of 5dx6B

query
sites
5dx6B

S

A

D

D

L

L

F

V

V

V

K

S

A

Q

L

L

E

E

A

A

E

Q

G

G

V

V

E

R

Y

Q

I

V

F

F

G

G

I
|
I

P

P

G
|
G

E
x
A

E
x
K

N
x
I

L

D

D

K

V

V

L

F

N

D

S

S

L

L

K

L

H

D

S

S

P

S

I

I

Q

R

L

I

I

I

I

P

T

V

R

R

H

H

E
|
E

Q

A

A

N

A

A

G

A

F

F

M

M

A

A

T

A

Y

V

G

G

R

R

L

I

T

T

G

G

K

K

A

A

G

G

V

V

C

A

M

L

S

V

T
|
T

L

S

G

G

P

P

G

G

A

C

T

S

N

N

L

L

V

I

T

T

A

G

A

M

A

A

Y

T

A

A

N

N

L

S

G

E

A

G

M

D

P

P

M

V

V

V

M

A

I

L

T

G

G

G

Q

A

K

V

P

K

I

R

K

A

S

D

S

K

K

A

Q

K

G

Q

R

V

F
x
H

Q
|
Q

I
x
S

I

M

D

D

V

T

V

V

N

A

L

M

M

F

E
x
S

P

P

I

V

T
|
T

K

K

Y

Y

S

A

C

I

Q

E

I

V

T

T

S

A

G

P

Q

D

V

A

I

L

P

A

A

E

R

V

I

V

R

S

E

N

A

A

F

F

D

R

V

A

A

A

Q

E

T

Q

E

G

R

R

P

P

G

G

A

S

T

A

H

F

L

V

E

S

L

L

P

P

E
x
Q

D

D

I

V

A

V

I

D

E

G

E

P

T

V

G

S

A

G

Q

K

I

V

I

L

E

P

H

A

S

S

-

G

T

A

H

P

R

Q

R

M

P

G

L

A

A

A

E

P

N

D

K

D

A

A

V

I

E

D

K

Q

A

V

V

A

E

K

M

L

I

I

Q

A

K

Q

A

A

K

K

S

N

P

P

L

I

I

F

L

L

V

L

G

G

A

L

G

M

A

A

N

S

R

Q

K

P

T

E

S

N

G

S

K

K

M

A

L

L

R

R

Q

R

F

L

I

L

D

E

K

T

T

S

G

H

I

I

P

P

F

V

F

T

T

S

T

T

Q

Y

M

Q

G

A

K

A

G

G

V

A

I

V

D

N

E

Q

R

D

H

N

-

F

H

S

L

R

Y

F

L

A

G
|
G

C
x
R

A

V

A

G

L
|
L

S

F

D

N

N

N

D
x
Q

F

A

V

G

H

D

A

R

A

L

I

L

R

Q

S

L

T

A

D

D

L

L

I

V

I

I

N

C

V

I

G

G

H

Y

D

S

V

P

V

V

E

E

K

Y

P
x
E

P

P

F

A

F

M

M

W

K

N

P

S

D

G

G

N

F

A

K

T

V

L

I

V

H

H

I

I

N

D

Y

V

T

L

N

P

A

A

S

Y

V

E

D

E

P

R

V

N

Y

Y

F

T

P

P

Q

D

A

V

E

E

V

L

T

V

G

G

D

D

I

I

A

A

N

G

A

T

I

L

Y

N

Q

K

I

L

K

A

E

Q

K

N

I

I

E

D

R

H

Q

R

I

L

H

V

W

L

D

S

F

P

K

Q

N

-

F

-

E

A

K

E

I

I

L

L

I

R

D

D

E

R

N

Q

L

H

Q

Q

E

R

G

E

A

L

T

-

D

-

D

N

R

Q

F

F

P

A

I

L

Y

H

P

P

Q

L

R

R

L

I

V

V

H

R

D

A

V

M

R

Q

S

D

V

I

L

V

P

N

D

S

N

D

G

V

I

T

I

L

A

T

L

V

D

D

N
x
M

G
|
G

I
x
S

Y
x
F

K

H

I

I

W

W

F

I

A
|
A

R
|
R

N

Y

Y

L

L
x
Y

A

S

Y

F

R

R

H

A

N

R

T

Q

V

V

L

M

L

I

D

S

N

N

A

G

L

Q

A
x
Q

T

T

M
|
M

G

G

A

V

G

A

L

L

P

P

S

W

A

A

I

I

A

G

A

A

K

W

L

L

V

V

N

N

P

P

D

E

E

R

R

K

V

V

I

V

A

S

I

V

C

S

G
|
G

D
|
D

G
|
G

G

G

F

F

M

L

M

Q

N

S

S

S

A

M

E

E

L

L

E

E

T

T

A

A

V

V

R

R

L

L

K

K

L

A

D

N

L

V

V

L

V

H

L

L

I

I

L

W

N

V

D
|
D

N

N

A
x
G

F
x
Y

G
x
N

M
|
M

I
x
V

K

A

W

I

K
x
Q

Q

E

A

E

N

K

L

K

G

Y

F

Q

E

R

D

L

F

S

G

G

L

V

D

E

L

F

N

G

N

P

P

M

D

D

F

F

V

K

L

A

Y

Y

A

A

Q

E

S

S

Y

F

G

G

A

A

I

K

G

G

H

F

R

A

I

V

H

E

K

S

A

A

E

E

E

A

L

L

I

E

P

P

K

T

L

L

E

R

N

A

C

A

F

M

E

D

D

V

G

D

G

G

I

P

H

A

V

V

I

V

E

A

V

I

P

P

M

V

D

D

Y
|
Y

S

R

E

D

N

N

D

P

R

L

I

L

L

M

N

G

H

Q

active site: I38 (= I22), G40 (= G24), A41 (≠ E25), K42 (≠ E26), I43 (≠ N27), E63 (= E47), T86 (= T70), H125 (≠ F109), Q126 (= Q110), S127 (≠ I111), Q175 (≠ E159), L268 (= L250), E295 (≠ P277), M392 (≠ N379), Q418 (≠ A405), M420 (= M407), D445 (= D432), D472 (= D459), G474 (≠ A461), Y475 (≠ F462), M477 (= M464), V478 (≠ I465), Q481 (≠ K468), Y541 (= Y528)
binding 3-fluoro-2-oxopropanoic acid: G264 (= G246), R265 (≠ C247), Q272 (≠ D254), A400 (= A387), R401 (= R388), Y404 (≠ L391)
binding magnesium ion: S135 (≠ E119), T138 (= T122), D445 (= D432), D472 (= D459), G474 (≠ A461)
binding thiamine diphosphate: G393 (= G380), S394 (≠ I381), F395 (≠ Y382), Q418 (≠ A405), M420 (= M407), G444 (= G431), D445 (= D432), G446 (= G433), D472 (= D459), G474 (≠ A461), Y475 (≠ F462), N476 (≠ G463), M477 (= M464), V478 (≠ I465), Y541 (= Y528)

5dx6A Acetolactate synthase from klebsiella pneumoniae soaked with beta- fluoropyruvate
32% identity, 97% coverage: 4:537/550 of query aligns to 9:539/541 of 5dx6A

query
sites
5dx6A

S

A

D

D

L

L

F

V

V

V

K

S

A

Q

L

L

E

E

A

A

E

Q

G

G

V

V

E

R

Y

Q

I

V

F

F

G

G

I
|
I

P

P

G
|
G

E
x
A

E
x
K

N
x
I

L

D

D

K

V

V

L

F

N

D

S

S

L

L

K

L

H

D

S

S

P

S

I

I

Q

R

L

I

I

I

I

P

T

V

R

R

H

H

E
|
E

Q

A

A

N

A

A

G

A

F

F

M

M

A

A

T

A

Y

V

G

G

R

R

L

I

T

T

G

G

K

K

A

A

G

G

V

V

C

A

M

L

S

V

T
|
T

L

S

G

G

P

P

G

G

A

C

T

S

N

N

L

L

V

I

T

T

A

G

A

M

A

A

Y

T

A

A

N

N

L

S

G

E

A

G

M

D

P

P

M

V

V

V

M

A

I

L

T

G

G

G

Q

A

K

-

P

-

I

V

K

K

S

R

S

A

K

D

Q

K

G

A

R

K

F

-

Q

-

I

-

I

M

D

D

V

T

V

V

N

A

L

M

M

F

E
x
S

P

P

I

V

T
|
T

K

K

Y

Y

S

A

C

I

Q

E

I

V

T

T

S

A

G

P

Q

D

V

A

I

L

P

A

A

E

R

V

I

V

R

S

E

N

A

A

F

F

D

R

V

A

A

A

Q

E

T

Q

E

G

R

R

P

P

G

G

A

S

T

A

H

F

L

V

E

S

L

L

P

P

E
x
Q

D

D

I

V

A

V

I

D

E

G

E

P

T

V

G

S

A

G

Q

K

I

V

I

L

E

-

H

-

S

P

T

A

H

P

R

Q

R

M

P

G

L

A

A

A

E

P

N

D

K

D

A

A

V

I

E

D

K

Q

A

V

V

A

E

K

M

L

I

I

Q

A

K

Q

A

A

K

K

S

N

P

P

L

I

I

F

L

L

V

L

G

G

A

L

G

M

A

A

N

S

R

Q

K

P

T

E

S

N

G

S

K

K

M

A

L

L

R

R

Q

R

F

L

I

L

D

E

K

T

T

S

G

H

I

I

P

P

F

V

F

T

T

S

T

T

Q

Y

M

Q

G

A

K

A

G

G

V

A

I

V

D

N

E

Q

R

D

H

N

-

F

H

S

L

R

Y

F

L

A

G

G

C

R

A

V

A

G

L
|
L

S

F

D

N

N

N

D

Q

F

A

V

G

H

D

A

R

A

L

I

L

R

Q

S

L

T

A

D

D

L

L

I

V

I

I

N

C

V

I

G

G

H

Y

D

S

V

P

V

V

E

E

K

Y

P
x
E

P

P

F

A

F

M

M

W

K

N

P

S

D

G

G

N

F

A

K

T

V

L

I

V

H

H

I

I

N

D

Y

V

T

L

N

P

A

A

S

Y

V

E

D

E

P

R

V

N

Y

Y

F

T

P

P

Q

D

A

V

E

E

V

L

T

V

G

G

D

D

I

I

A

A

N

G

A

T

I

L

Y

N

Q

K

I

L

K

A

E

Q

K

N

I

I

E

D

R

H

Q

R

I

L

H

V

W

L

D

S

-

P

-

Q

-

A

-

E

-

I

F

L

K

R

N

D

F

R

F

Q

E

H

E

Q

K

R

I

E

L

L

I

L

D

D

E

-

N

-

L

-

Q

R

E

R

G

G

A

A

T

Q

D

L

D

N

R

Q

F

F

P

A

I

L

Y

H

P

P

Q

L

R

R

L

I

V

V

H

R

D

A

V

M

R

Q

S

D

V

I

L

V

P

N

D

S

N

D

G

V

I

T

I

L

A

T

L

V

D

D

N
x
M

G
|
G

I
x
S

Y
x
F

K

H

I

I

W

W

F

I

A

A

R

R

N

Y

Y

L

L

Y

A

S

Y

F

R

R

H

A

N

R

T

Q

V

V

L

M

L

I

D

S

N

N

A

G

L

Q

A
x
Q

T

T

M
|
M

G

G

A

V

G

A

L

L

P

P

S

W

A

A

I

I

A

G

A

A

K

W

L

L

V

V

N

N

P

P

D

E

E

R

R

K

V

V

I

V

A

S

I

V

C

S

G
|
G

D
|
D

G
|
G

G

G

F

F

M

L

M

Q

N

S

S

S

A

M

E

E

L

L

E

E

T

T

A

A

V

V

R

R

L

L

K

K

L

A

D

N

L

V

V

L

V

H

L

L

I

I

L

W

N

V

D
|
D

N

N

A
x
G

F
x
Y

G
x
N

M
|
M

I
x
V

K

A

W

I

K
x
Q

Q

E

A

E

N

K

L

K

G

Y

F

Q

E

R

D

L

F

S

G

G

L

V

D

E

L

F

N

G

N

P

P

M

D

D

F

F

V

K

L

A

Y

Y

A

A

Q

E

S

S

Y

F

G

G

A

A

I

K

G

G

H

F

R

A

I

V

H

E

K

S

A

A

E

E

E

A

L

L

I

E

P

P

K

T

L

L

E

R

N

A

C

A

F

M

E

D

D

V

G

D

G

G

I

P

H

A

V

V

I

V

E

A

V

I

P

P

M

V

D

D

Y
|
Y

S

R

E

D

N

N

D

P

R

L

I

L

L

M

N

G

H

Q

active site: I27 (= I22), G29 (= G24), A30 (≠ E25), K31 (≠ E26), I32 (≠ N27), E52 (= E47), T75 (= T70), Q159 (≠ E159), L249 (= L250), E276 (≠ P277), M381 (≠ N379), Q407 (≠ A405), M409 (= M407), D434 (= D432), D461 (= D459), G463 (≠ A461), Y464 (≠ F462), M466 (= M464), V467 (≠ I465), Q470 (≠ K468), Y530 (= Y528)
binding 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1R)-2-fluoro-1-hydroxyethyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium: M381 (≠ N379), G382 (= G380), S383 (≠ I381), F384 (≠ Y382), Q407 (≠ A405), M409 (= M407), G433 (= G431), D434 (= D432), G435 (= G433), D461 (= D459), G463 (≠ A461), Y464 (≠ F462), N465 (≠ G463), Y530 (= Y528)
binding magnesium ion: S119 (≠ E119), T122 (= T122), D434 (= D432), D461 (= D459), G463 (≠ A461)

5wdgA Acetolactate synthase from klebsiella pneumoniae in complex with a reaction intermediate
32% identity, 97% coverage: 4:537/550 of query aligns to 9:536/538 of 5wdgA

query
sites
5wdgA

S

A

D

D

L

L

F

V

V

V

K

S

A

Q

L

L

E

E

A

A

E

Q

G

G

V

V

E

R

Y

Q

I

V

F

F

G

G

I
|
I

P

P

G
|
G

E
x
A

E
x
K

N
x
I

L

D

D

K

V

V

L

F

N

D

S

S

L

L

K

L

H

D

S

S

P

S

I

I

Q

R

L

I

I

I

I

P

T

V

R

R

H

H

E
|
E

Q

A

A

N

A

A

G

A

F

F

M

M

A

A

T

A

Y

V

G

G

R
|
R

L

I

T

T

G

G

K

K

A

A

G

G

V

V

C

A

M

L

S

V

T
|
T

L

S

G

G

P

P

G

G

A

C

T

S

N

N

L

L

V

I

T

T

A

G

A

M

A

A

Y

T

A

A

N

N

L

S

G

E

A
x
G

M

D

P

P

M

V

V

V

M

A

I

L

T

G

G

G

Q

A

K

-

P

-

I

V

K

K

S

R

S

A

K

D

Q

K

G

-

R

-

F

-

Q

-

I

-

I

M

D

D

V

T

V

V

N

A

L

M

M

F

E
x
S

P

P

I

V

T
|
T

K

K

Y

Y

S

A

C

I

Q

E

I

V

T

T

S

A

G

P

Q

D

V

A

I

L

P

A

A

E

R

V

I

V

R

S

E

N

A

A

F

F

D

R

V

A

A

A

Q

E

T

Q

E

G

R
|
R

P

P

G

G

A

S

T

A

H

F

L

V

E

S

L

L

P

P

E
x
Q

D

D

I

V

A

V

I

D

E

G

E

P

T

V

G

S

A

G

Q

K

I

V

I

L

E

P

H

A

S

Q

T

M

H

G

R

A

P

P

L

-

A

-

E

-

N

D

K

D

A

A

V

I

E

D

K

Q

A

V

V

A

E

K

M

L

I

I

Q

A

K

Q

A

A

K

K

S

N

P

P

L

I

I

F

L

L

V

L

G

G

A

L

G

M

A

A

N

S

R
x
Q

K

P

T

E

S

N

G

S

K

K

M

A

L

L

R

R

Q

R

F

L

I

L

D

E

K

T

T

S

G

H

I

I

P

P

F

V

F

T

T

S

T

T

Q

Y

M

Q

G

A

K

A

G

G

V

A

I

V

D

N

E

Q

R

D

H

N

-

F

H

S

L

R

Y

F

L

A

G

G

C

R

A

V

A

G

L
|
L

S

F

D

N

N

N

D

Q

F

A

V

G

H

D

A

R

A

L

I

L

R

Q

S

L

T

A

D

D

L

L

I

V

I

I

N

C

V

I

G

G

H

Y

D

S

V

P

V

V

E

E

K

Y

P
x
E

P

P

F

A

F

M

M

W

K

N

P

S

D

G

G

N

F

A

K

T

V

L

I

V

H

H

I

I

N

D

Y

V

T

L

N

P

A

A

S

Y

V

E

D

E

P

R

V

N

Y

Y

F

T

P

P

Q

D

A

V

E

E

V

L

T

V

G

G

D

D

I

I

A

A

N

G

A

T

I

L

Y

N

Q

K

I

L

K

A

E

Q

K

N

I

I

E

D

R

H

Q

R

I

L

H

V

W

L

D

S

-

P

-

Q

-

A

-

E

-

I

F

L

K

R

N

D

F

R

F

Q

E

H

E

Q

K

R

I

E

L

L

I

L

D

D

E

-

N

-

L

-

Q

R

E

R

G

G

A

A

T

Q

D

L

D

N

R

Q

F

F

P

A

I

L

Y

H

P

P

Q

L

R

R

L

I

V

V

H

R

D

A

V

M

R

Q

S

D

V

I

L

V

P

N

D

S

N

D

G

V

I

T

I

L

A

T

L

V

D

D

N
x
M

G

G

I
x
S

Y
x
F

K

H

I

I

W

W

F

I

A

A

R

R

N

Y

Y

L

L

Y

A

S

Y

F

R

R

H

A

N

R

T

Q

V

V

L

M

L

I

D

S

N

N

A

G

L

Q

A
x
Q

T

T

M
|
M

G

G

A

V

G

A

L

L

P

P

S

W

A

A

I

I

A

G

A

A

K

W

L

L

V

V

N

N

P

P

D

E

E

R

R

K

V

V

I

V

A

S

I

V

C

S

G
|
G

D
|
D

G
|
G

F

F

M

L

M

Q

N

S

S

S

A

M

E

E

L

L

E

E

T

T

A

A

V

V

R

R

L

L

K

K

L

A

D

N

L

V

V

L

V

H

L

L

I

I

L

W

N

V

D
|
D

N

N

A
x
G

F
x
Y

G
x
N

M
|
M

I
x
V

K

A

W

I

K
x
Q

Q

E

A

E

N

K

L

K

G

Y

F

Q

E

R

D

L

F

S

G

G

L

V

D

E

L

F

N

G

N

P

P

M

D

D

F

F

V

K

L

A

Y

Y

A

A

Q

E

S

S

Y

F

G

G

A

A

I

K

G

G

H

F

R

A

I

V

H

E

K

S

A

A

E

E

E

A

L

L

I

E

P

P

K

T

L

L

E

R

N

A

C

A

F

M

E

D

D

V

G

D

G

G

I

P

H

A

V

V

I

V

E

A

V

I

P

P

M

V

D

D

Y
|
Y

S

R

E

D

N

N

D

P

R

L

I

L

L

M

N

G

H

Q

active site: I27 (= I22), G29 (= G24), A30 (≠ E25), K31 (≠ E26), I32 (≠ N27), E52 (= E47), T75 (= T70), Q157 (≠ E159), L246 (= L250), E273 (≠ P277), M378 (≠ N379), Q404 (≠ A405), M406 (= M407), D431 (= D432), D458 (= D459), G460 (≠ A461), Y461 (≠ F462), M463 (= M464), V464 (≠ I465), Q467 (≠ K468), Y527 (= Y528)
binding (2S,3S)-2,3-dihydroxy-3-[(7S,8R,9aS)-8-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9aH-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid: M378 (≠ N379), S380 (≠ I381), F381 (≠ Y382), Q404 (≠ A405), M406 (= M407), G430 (= G431), D431 (= D432), G432 (= G433), G433 (= G434), D458 (= D459), G460 (≠ A461), Y461 (≠ F462), N462 (≠ G463), M463 (= M464), V464 (≠ I465), Y527 (= Y528)
binding magnesium ion: R64 (= R59), S117 (≠ E119), T120 (= T122), Q204 (≠ R209), D431 (= D432), D458 (= D459), G460 (≠ A461)
binding pyruvic acid: G94 (≠ A89), R147 (= R149)

4rjkG Acetolactate synthase from bacillus subtilis bound to lthdp - crystal form ii (see paper)
33% identity, 96% coverage: 2:531/550 of query aligns to 2:536/553 of 4rjkG

query
sites
4rjkG

K

R

A

G

S

A

D

E

L

L

F

V

V

V

K

D

A

C

L

L

E

V

A

E

E

Q

G

G

V

V

E

T

Y

H

I

V

F

F

G

G

I

I

P

P

G

G

E

A

E

K

N

I

L

D

D

A

V

V

L

F

N

D

S

A

L

L

K

Q

H

D

S

K

P

G

I

P

Q

E

L

I

I

I

I

V

T

A

R

R

H

H

E
|
E

Q

Q

A

N

A

A

G

A

F

F

M

M

A

A

A

Q

T

A

Y

V

G

G

R

R

L

L

T

T

G

G

K

K

A

P

G

G

V

V

C

V

M

L

S

V

T

T

L

S

G

G

P

P

G

G

A

A

T

S

N

N

L

L

V

A

T

T

A

G

A

L

Y

T

A

A

N

N

L

T

G

E

A

G

M

D

P

P

M

V

V

V

M

A

I

L

T

A

G

G

Q

N

K

V

P

-

I

I

K

R

S

A

S

D

K

R

Q

L

G

K

R

R

-

T

F

H

Q
|
Q

I

S

I

L

D

D

V

N

V

A

N

A

L

L

M

F

E

Q

P

P

I

I

T

T

K

K

Y

Y

S

S

C

V

Q

E

I

V

T

Q

S

D

G

V

Q

K

V

N

I

I

P

P

A

E

R

A

I

V

R

T

E

N

A

A

F

F

D

R

V

I

A

A

Q

S

T

A

E

G

R

Q

P

A

G

G

A

A

T

A

H

F

L

V

E

S

L

F

P

P

E

Q

D

D

I

V

A

V

I

N

E

E

E

V

T

T

G

N

A

T

Q

K

I

N

I

V

E

R

H

A

-

V

S

A

T

A

H

P

R

K

R

L

P

G

L

P

A

A

E

A

N

D

K

D

A

A

V

I

E

S

K

A

A

A

V

I

E

A

M

K

I

I

Q

Q

K

T

A

A

K

K

S

L

P

P

L

V

I

V

L

L

V

V

G

G

A

M

G

K

A

G

N

G

R

R

K

P

T

E

S

A

G

I

K

K

M

A

L

V

R

R

Q

K

F

L

I

L

D

K

K

K

T

V

G

Q

I

L

P

P

F

F

F

V

T

E

T

T

Q

Y

M

Q

G

A

K

A

G

G

V

T

I

L

D

S

-

R

E

D

R

L

H

E

H

D

L

Q

Y

Y

L

F

G

G

C

R

A

I

A

G

L

L

S

F

D

R

N

N

D

Q

F

P

V

G

H

D

A

L

I

L

R

E

S

Q

T

A

D

D

L

V

I

V

I

L

N

T

V

I

G

G

H

Y

D

D

V

P

V

I

E

E

K

Y

P

D

P

P

F

K

F

F

M

W

K

N

P

I

D

N

G

G

F

D

K

R

-

T

V

I

I

I

H

H

I

L

N

D

Y

E

T

I

N

I

A

A

S

D

V

I

D

D

P

H

V

A

Y

Y

F

Q

P

P

Q

D

A

L

E

E

V

L

T

I

G

G

D

D

I

I

A

P

N

S

A

T

I

I

Y

N

Q

H

I

I

K

E

E

H

K

D

I

A

-

V

-

K

-

V

-

E

-

F

-

A

-

E

-

R

E

E

R

Q

Q

K

I

I

H

L

W

S

D

D

F

L

K

K

N

Q

F

Y

F

M

E

H

E

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K

G

I

-

L

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I

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D

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E

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N

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L

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A

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A

W

T

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D

S

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D

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-

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I

A

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P

P

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L

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L

I

V

V

H

K

D

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V

L

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R

S

N

V

A

L

V

P

D

D

D

N

H

G

V

I

T

I

V

A

T

L

C

D

D

N
x
I

G
|
G

I
x
S

Y
x
H

K

A

I

I

W

W

F

M

A

S

R

R

N

Y

Y

F

L

R

A

S

Y

Y

R

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H

P

N

L

T

T

V

L

L

M

L

I

D

S

N

N

A

G

L

M

A
x
Q

T

T

M
x
L

G

G

A

V

G

A

L

L

P

P

S

W

A

A

I

I

A

G

A

A

K

S

L

L

V

V

N

K

P

P

D

G

E

E

R

K

V

V

I

V

A

S

I

V

C

S

G
|
G

D
|
D

G
|
G

F

F

M

L

M

F

N

S

S

A

A

M

E

E

L

L

E

E

T

T

A

A

V

V

R

R

L

L

K

K

L

A

D

P

L

I

V

V

V

H

L

I

I

V

L

W

N

N

D
|
D

N

S

A
x
T

F
x
Y

G
x
D

M
|
M

I
x
V

K

A

W

F

K

Q

Q

Q

A

L

N

K

L

K

G

Y

F

N

E

R

D

T

F

S

G

A

L

V

D

D

L

F

N

G

N

N

P

I

D

D

F

I

V

V

L

K

Y

Y

A

A

Q

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S

S

Y

F

G

G

A

A

I

T

G

G

H

L

R

R

I

V

H

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K

S

A

P

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D

E

Q

L

L

I

A

P

D

K

V

L

L

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N

Q

C

G

F

M

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N

D

A

G

E

G

G

I

P

H

V

V

I

I

I

E

D

V

V

P

P

M

V

D

D

Y
|
Y

S

S

E

D

N

N

binding magnesium ion: D437 (= D432), D464 (= D459), T466 (≠ A461)
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: E47 (= E47), Q110 (= Q110)
binding thiamine diphosphate: I384 (≠ N379), G385 (= G380), S386 (≠ I381), H387 (≠ Y382), Q410 (≠ A405), L412 (≠ M407), G436 (= G431), D437 (= D432), G438 (= G433), G439 (= G434), T466 (≠ A461), Y467 (≠ F462), D468 (≠ G463), M469 (= M464), V470 (≠ I465), Y533 (= Y528)

4rjiC Acetolactate synthase from bacillus subtilis bound to thdp - crystal form i (see paper)
33% identity, 96% coverage: 2:531/550 of query aligns to 3:537/555 of 4rjiC

query
sites
4rjiC

K

R

A

G

S

A

D

E

L

L

F

V

V

V

K

D

A

C

L

L

E

V

A

E

E

Q

G

G

V

V

E

T

Y

H

I

V

F

F

G

G

I

I

P
|
P

G

G

E

A

E

K

N

I

L

D

D

A

V

V

L

F

N

D

S

A

L

L

K

Q

H

D

S

K

P

G

I

P

Q

E

L

I

I

I

I

V

T

A

R

R

H

H

E
|
E

Q

Q

A

N

A

A

G

A

F

F

M

M

A

A

A

Q

T

A

Y

V

G

G

R

R

L

L

T

T

G

G

K

K

A

P

G

G

V

V

C

V

M

L

S

V

T

T

L

S

G

G

P
|
P

G

G

A

A

T

S

N

N

L

L

V

A

T

T

A

G

A

L

Y

T

A

A

N

N

L

T

G

E

A

G

M

D

P

P

M

V

V

V

M

A

I

L

T

A

G

G

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N

K

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-

I

I

K

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A

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D

K

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G

K

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R

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F

H

Q

Q

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D

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N

V

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N

A

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L

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G

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A

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K

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K

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A

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A

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G

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H

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Y

Y

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G

G

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A

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A

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N

N

D

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G

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