SitesBLAST

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)
26% identity, 92% coverage: 21:583/612 of query aligns to 100:657/667 of P09342

query
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P09342

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C161 (≠ M83) modified: Disulfide link with 307
P194 (≠ N120) mutation to Q: In C3; highly resistant to sulfonylurea herbicides.
C307 (≠ V238) 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)
26% identity, 92% coverage: 21:583/612 of query aligns to 97:654/664 of P09114

query
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P09114

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P191 (≠ N120) mutation to A: In S4-Hra; highly resistant to sulfonylurea herbicides; when associated with L-568.
W568 (≠ L502) mutation to L: In S4-Hra; highly resistant to sulfonylurea herbicides; when associated with A-191.

8beoB Crystal structure of e. Coli glyoxylate carboligase mutant i393a with map
25% identity, 84% coverage: 67:583/612 of query aligns to 54:569/592 of 8beoB

query
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8beoB

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A

A

E

Y

I

D

E

W

F

P

D

E

P

A

D

F

M

F

Y

A

E

P

P

K

-

V

-

W

L

H

P

I

V

R

Y

R

K

P

P

E

A

P

A

D

S

R

R

R

M

E

Q

L

I

A

E

A

K

V

A

I

V

E

E

M

M

I

L

R

I

A

Q

A

A

Q

E

K

R

P

P

V

V

I

I

V

V

S

A

G
|
G

V

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L

I

Y
x
N

S

A

G

D

A

A

D

A

Q

A

D

L

L

L

A

Q

F

F

A

A

E

E

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L

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S

I

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P

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E

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T

Q
x
L

A
x
M

G

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W

G

G

A

C

L

I

D

P

W

D

Q

D

H

H

P

E

L

L

N

M

F

A

G

G

S

M

P
x
V

G
|
G

V

L

-
x
Q

T
|
T

G

A

S

H

D

R

C

Y

A

G

N

N

R

A

I

T

C

L

A

L

E

A

A

S

D

D

L

M

I

V

I

F

G

G

A

I

G
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G

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x
N

R
|
R

F

F

Q
x
A

D

N

F
x
R

T
x
H

T

T

G

G

S

S

W

V

A

E

A

K

F

Y

R

T

N

E

P

-

Q

G

R

R

K

K

L

I

V

V

S

H

V

I

N
x
D

L
x
I

-

E

-

P

T

T

G
x
Q

Y

I

D

G

A

R

A

V

K

L

H

C

S

P

A

D

V

L

P

G

L

I

V

V

A

S

D
|
D

A
|
A

K

K

I

A

A

A

L

L

T

T

A

L

I

L

T

V

A

E

G

V

L

A

E

Q

G

E

H

M

R

Q

F

K

A

A

G

G

P

-

D

R

A

L

S

P

L

C

R

R

T

K

A

E

W

W

F

V

-

A

K

D

A

C

A
x
Q

D

Q

R

R

V

K

M
x
R

A

T

A

L

P

L

Q

R

G

K

E

T

N

H

P

F

N

D

D

N

L

V

P

P

T

V

D

K

A

P

Q

Q

-

R

V

V

V

Y

G

E

A

E

V

M

Q

N

R

K

Y

A

A

F

G

G

A

R

D

D

T

V

V

C

V

Y

M

V

C

T

A

T

A

A

G
|
G

T
x
L

M
x
S

P

Q

G

I

A

A

L

A

Q

A

V

Q

L

M

W

L

R

H

A

V

A

F

P

K

G

D

G

R

Y

H

H

W

M

I

E

N

Y

C

G
|
G

Y

Q

S

A

C

G

-

P

M
x
L

G

G

Y

W

E

T

V

I

A

P

G

A

A

A

M

L

G

G

I

V

A

C

L

A

A

A

V

D

P

P

E

K

K

R

E

N

V

V

I

V

C

A

F

I

V

S

G
|
G

D
|
D

G
x
F

S
x
D

Y

F

M

Q

M
x
F

A
x
L

N

I

S
x
E

E

E

L

L

A

A

T

V

A

G

A

A

M

Q

M

F

H

N

V

I

P

P

F

Y

T

I

I

H

V

V

L

L

T

V

D

N

N
|
N

R

A

G
x
Y

Y
x
L

G
|
G

C
x
L

I
|
I

N

R

R

Q

L

S

Q

Q

I

R

E

A

-

F

-

D

-

M

-

D

-

Y

C
|
C

G

V

G
x
Q

A

L

P

A

F

F

N

E

N

N

M

-

Y

-

V

I

D

N

S

S

R

S

H

E

K

V

T

N

F

G

P

Y

E

G

I

V

D

D

F

H

V

V

A

K

H

V

A

A

R

E

A

G

M

L

G

G

A

C

E

K

A

A

V

I

K

R

V

V

-

F

-

K

-

P

A

E

G

D

I

I

A

A

-

P

G

A

L

F

E

E

A

Q

E

A

L

K

A

A

R

L

P

M

R

A

D

Q

R

Y

K

R

V

V

P

P

R

V

V

V

I

V

L

E

I

V

D

I

T

L

E

E

A

R

E

V

S

T

S

N

L

I

G

S

V

M

G

G

G

S

A

E

W

L

W

D

D

N

V

V

binding methyl hydrogen (s)-acetylphosphonate: C490 (= C506), Q492 (≠ G508)
binding flavin-adenine dinucleotide: R153 (≠ Q176), P154 (≠ C177), G210 (= G235), G211 (= G236), G212 (= G237), N215 (≠ Y240), T236 (= T261), L237 (≠ Q262), M238 (≠ A263), V254 (≠ P279), G255 (= G280), Q257 (vs. gap), T258 (= T282), G277 (= G301), N278 (≠ T302), R279 (= R303), A281 (≠ Q305), R283 (≠ F307), H284 (≠ T308), D301 (≠ N326), I302 (≠ L327), Q306 (≠ G329), D320 (= D343), A321 (= A344), G415 (= G437)
binding magnesium ion: D445 (= D466), F450 (≠ M471), L451 (≠ A472), E453 (≠ S474), N472 (= N493), Y474 (≠ G495)
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: R283 (≠ F307), G393 (= G415), L394 (≠ T416), S395 (≠ M417), L420 (≠ M441), G444 (= G465), D445 (= D466), F446 (≠ G467), D447 (≠ S468), N472 (= N493), Y474 (≠ G495), L475 (≠ Y496), G476 (= G497), L477 (≠ C498), I478 (= I499)
binding 2,3-dimethoxy-5-methyl-1,4-benzoquinone: Q352 (≠ A375), R356 (≠ M379)

Sites not aligning to the query:

binding 2,3-dimethoxy-5-methyl-1,4-benzoquinone: 587

8beoA Crystal structure of e. Coli glyoxylate carboligase mutant i393a with map
25% identity, 84% coverage: 67:583/612 of query aligns to 54:569/592 of 8beoA

query
sites
8beoA

A

S

H

H

A

M

A

A

I

E

A

G

Y

Y

A

T

K

R

T

A

K

T

R

A

R

G

R

N

K

I

A

G

M

V

A

C

V

L

T

G

S

T

S

S

I

-

G

G

P

P

G

A

A

G

T

T

N

D

M

M

V

I

T

T

A

A

A

L

A

Y

L

S

A

A

H

S

V

A

N

D

R

S

L

I

P

P

V

I

L

L

L

C

I

I

P

T

G

G

D

-

V

-

F

-

A

-

N

-

R

Q

R

A

P

P

D

R

P

A

V

R

L

L

Q

H

Q

K

I

-

E

E

D

D

F

F

D

Q

D

A

G

V

T

D

V

I

S

E

A

A

N

-

D

-

C

I

F

A

R

K

P

P

V

V

S

S

R

K

Y

M

F

A

D

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T

I

V

T

R

R

E

P

A

E

A

H

L

L

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L

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T

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A

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L

L

P

Q

R

Q

A

A

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F

Q

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M

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S

P

-

A

G

Q
x
R

C
x
P

G

G

P

P

V

V

T

L

L

V

A

D

F

L

C

P

Q

F

D

D

V

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Q

Q

A

V

E

A

A

E

Y

I

D

E

W

F

P

D

E

P

A

D

F

M

F

Y

A

E

P

P

K

-

V

-

W

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Y

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E

A

P

A

D

S

R

R

R

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Q

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I

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A

I

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E

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M

I

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I

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P

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I

I

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G

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D

A

A

D

A

Q

A

D

L

L

L

A

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F

F

A

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K

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T

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x
L

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x
M

G

G

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W

G

G

A

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W

D

Q

D

H

H

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x
E

L

L

N

M

F

A

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G

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M

P
x
V

G
|
G

V

L

-
x
Q

T
|
T

G

A

S

H

D

R

C

Y

A

G

N

N

R

A

I

T

C

L

A

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E

A

A

S

D

D

L

M

I

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I

F

G

G

A

I

G
|
G

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x
N

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R

F

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x
A

D

N

F
x
R

T
x
H

T

T

G

G

S

S

W

V

A

E

A

K

F

Y

R

T

N

E

P

-

Q

G

R

R

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K

L

I

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V

S

H

V

I

N
x
D

L
x
I

-

E

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x
Q

Y

I

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A

R

A

V

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C

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P

A

D

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G

L

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A

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D
|
D

A
|
A

K

K

I

A

A

A

L

L

T

T

A

L

I

L

T

V

A

E

G

V

L

A

E

Q

G

E

H

M

R

Q

F

K

A

A

G

G

P

-

D

R

A

L

S

P

L

C

R

R

T

K

A

E

W

W

F

V

-

A

K

D

A

C

A
x
Q

D

Q

R

R

V

K

M

R

A

T

A

L

P

L

Q

R

G

K

E

T

N

H

P

F

N

D

D

N

L

V

P

P

T

V

D

K

A

P

Q

Q

-

R

V

V

V

Y

G

E

A

E

V

M

Q

N

R

K

Y

A

A

F

G

G

A
x
R

D

D

T

V

V

C

V

Y

M

V

C

T

A

T

A

A

G
|
G

T
x
L

M
x
S

P

Q

G
x
I

A

A

L

A

Q

A

V

Q

L

M

W

L

R

H

A
x
V

A
x
F

P

K

G

D

G

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x
H

H

W

M

I

E

N

Y

C

G
|
G

Y

Q

S

A

C

G

-

P

M
x
L

G

G

Y

W

E

T

V

I

A

P

G

A

A

A

M

L

G

G

I

V

A

C

L

A

A

A

V

D

P

P

E

K

K

R

E

N

V

V

I

V

C

A

F

I

V

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G
|
G

D
|
D

G
x
F

S
x
D

Y

F

M

Q

M
x
F

A
x
L

N

I

S
x
E

E

E

L

L

A

A

T

V

A

G

A

A

M

Q

M

F

H

N

V

I

P

P

F

Y

T

I

I

H

V

V

L

L

T

V

D

N

N
|
N

R

A

G
x
Y

Y
x
L

G
|
G

C
x
L

I
|
I

N

R

R

Q

L

S

Q

Q

I

R

E

A

-

F

-

D

-

M

-

D

-

Y

C

C

G

V

G

Q

A

L

P

A

F

F

N

E

N

N

M

-

Y

-

V

I

D

N

S

S

R

S

H

E

K

V

T

N

F

G

P

Y

E

G

I

V

D

D

F

H

V

V

A

K

H

V

A

A

R

E

A

G

M

L

G

G

A

C

E

K

A

A

V

I

K

R

V

V

-

F

-

K

-

P

A

E

G

D

I

I

A

A

-

P

G

A

L

F

E

E

A

Q

E

A

L

K

A

A

R

L

P

M

R

A

D

Q

R

Y

K

R

V

V

P

P

R

V

V

V

I

V

L

E

I

V

D

I

T

L

E

E

A

R

E

V

S

T

S

N

L

I

G

S

V

M

G

G

G

S

A

E

W

L

W

D

D

N

V

V

binding flavin-adenine dinucleotide: R153 (≠ Q176), P154 (≠ C177), G210 (= G235), G211 (= G236), G212 (= G237), N215 (≠ Y240), T236 (= T261), L237 (≠ Q262), M238 (≠ A263), V254 (≠ P279), G255 (= G280), Q257 (vs. gap), T258 (= T282), G277 (= G301), N278 (≠ T302), R279 (= R303), A281 (≠ Q305), R283 (≠ F307), H284 (≠ T308), D301 (≠ N326), I302 (≠ L327), Q306 (≠ G329), D320 (= D343), A321 (= A344), I397 (≠ G419), G415 (= G437)
binding magnesium ion: R384 (≠ A406), V405 (≠ A427), F406 (≠ A428), H410 (≠ Y432), D445 (= D466), F450 (≠ M471), L451 (≠ A472), E453 (≠ S474), N472 (= N493), Y474 (≠ G495)
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: R283 (≠ F307), G393 (= G415), L394 (≠ T416), S395 (≠ M417), L420 (≠ M441), G444 (= G465), D445 (= D466), F446 (≠ G467), D447 (≠ S468), N472 (= N493), Y474 (≠ G495), L475 (≠ Y496), G476 (= G497), L477 (≠ C498), I478 (= I499)
binding 2,3-dimethoxy-5-methyl-1,4-benzoquinone: E248 (≠ P273), Q352 (≠ A375)

Sites not aligning to the query:

binding 2,3-dimethoxy-5-methyl-1,4-benzoquinone: 587

8i07D Crystal structure of escherichia coli glyoxylate carboligase double mutant in complex with glycolaldehyde (see paper)
25% identity, 84% coverage: 67:583/612 of query aligns to 56:571/594 of 8i07D

query
sites
8i07D

A

S

H

H

A

M

A

A

I

E

A

G

Y

Y

A

T

K

R

T

A

K

T

R

A

R

G

R

N

K

I

A

G

M

V

A

C

V

L

T

G

S
x
T

S

S

I

-

G

G

P

P

G

A

A

G

T

T

N

D

M

M

V

I

T

T

A

A

A

L

A

Y

L

S

A

A

H

S

V

A

N

D

R

S

L

I

P

P

V

I

L

L

L

C

I

I

P

T

G

G

D

-

V

-

F

-

A

-

N

-

R

Q

R

A

P

P

D

R

P

A

V

R

L

L

Q

H

Q

K

I

-

E

E

D

D

F

F

D

Q

D

A

G

V

T

D

V

I

S

E

A

A

N

-

D

-

C

I

F

A

R

K

P

P

V

V

S

S

R

K

Y

M

F

A

D

V

R

T

I

V

T

R

R

E

P

A

E

A

H

L

L

V

L

P

T

R

A

V

L

L

P

Q

R

Q

A

A

L

F

Q

H

V

L

M

M

T

R

D

S

P

-

A

G

Q
x
R

C
x
P

G

G

P

P

V

V

T

L

L

V

A

D

F

L

C

P

Q

F

D

D

V

V

Q

Q

A

V

E

A

A

E

Y

I

D

E

W

F

P

D

E

P

A

D

F

M

F

Y

A

E

P

P

K

-

V

-

W

L

H

P

I

V

R

Y

R

K

P

P

E

A

P

A

D

S

R

R

R

M

E

Q

L

I

A

E

A

K

V

A

I

V

E

E

M

M

I

L

R

I

A

Q

A

A

Q

E

K

R

P

P

V

V

I

I

V

V

S

A

G
|
G

V

V

L

I

Y
x
N

S

A

G

D

A

A

D

A

Q

A

D

L

L

L

A

Q

F

F

A

A

E

E

K

L

H

T

N

S

I

V

P

P

V

V

V

I

E

P

T
|
T

Q
x
L

A
x
M

G

G

K

W

G

G

A

C

L

I

D

P

W

D

Q

D

H

H

P

E

L

L

N

M

F

A

G

G

S

M

P
x
V

G
|
G

V

L

-
x
Q

T
|
T

G

A

S

H

D

R

C

Y

A

G

N

N

R

A

I

T

C

L

A

L

E

A

A

S

D

D

L

M

I

V

I

F

G

G

A

I

G
|
G

T
x
N

R
|
R

F

F

Q

A

D

Q

F
x
R

T
x
H

T

T

G

G

S

S

W

V

A

E

A

K

F

Y

R

T

N

E

P

-

Q

G

R

R

K

K

L

I

V

V

S

H

V

I

N
x
D

L
x
I

-

E

-

P

T

T

G
x
Q

Y

I

D

G

A

R

A

V

K

L

H

C

S

P

A

D

V

L

P

G

L

I

V

V

A

S

D
|
D

A
|
A

K

K

I

A

A

A

L

L

T

T

A

L

I

L

T

V

A

E

G

V

L

A

E

Q

G

E

H

M

R

Q

F

K

A

A

G

G

P

-

D

R

A

L

S

P

L

C

R

R

T

K

A

E

W

W

F

V

-

A

K

D

A

C

A
x
Q

D

Q

R

R

V

K

M
x
R

A

T

A

L

P

L

Q

R

G

K

E

T

N

H

P

F

N

D

D

N

L

V

P

P

T

V

D

K

A

P

Q

Q

-

R

V

V

V

Y

G

E

A

E

V

M

Q

N

R

K

Y

A

A

F

G

G

A

R

D

D

T

V

V

C

V

Y

M

V

C

T

A

T

A

I

G
|
G

T
x
L

M
x
S

P

Q

G
x
I

A

A

L

A

Q

A

V

Q

L

M

W

L

R

H

A

V

A

F

P

K

G

D

G

R

Y

H

H

W

M

I

E

N

Y

C

G
|
G

Y

Q

S

A

C

G

-

P

M
x
L

G

G

Y

W

E

T

V

I

A

P

G

A

A

A

M

L

G

G

I

V

A

C

L

A

A

A

V

D

P

P

E

K

K

R

E

N

V

V

I

V

C

A

F

I

V

S

G
|
G

D
|
D

G
x
F

S
x
D

Y

F

M

Q

M
x
F

A
x
L

N

I

S
x
E

E

E

L

L

A

A

T

V

A

G

A

A

M

Q

M

F

H

N

V

I

P

P

F

Y

T

I

I

H

V

V

L

L

T

V

D

N

N
|
N

R

A

G
x
Y

Y
x
L

G
|
G

C
x
L

I
|
I

N

R

R

Q

L

S

Q

Q

I

M

E

A

-

F

-

D

-

M

-

D

-

Y

C
|
C

G

V

G
x
Q

A

L

P

A

F

F

N

E

N

N

M

-

Y

-

V

I

D

N

S

S

R

S

H

E

K

V

T

N

F

G

P

Y

E

G

I

V

D

D

F

H

V

V

A

K

H

V

A

A

R

E

A

G

M

L

G

G

A

C

E

K

A

A

V

I

K

R

V

V

-

F

-

K

-

P

A

E

G

D

I

I

A

A

-

P

G

A

L

F

E

E

A

Q

E

A

L

K

A

A

R

L

P

M

R

A

D

Q

R

Y

K

R

V

V

P

P

R

V

V

V

I

V

L

E

I

V

D

I

T

L

E

E

A

R

E

V

S

T

S

N

L

I

G

S

V

M

G

G

G

S

A

E

W

L

W

D

D

N

V

V

binding 2-oxidanylethanal: R285 (≠ F307), I480 (= I499)
binding flavin-adenine dinucleotide: R155 (≠ Q176), P156 (≠ C177), G212 (= G235), G213 (= G236), G214 (= G237), N217 (≠ Y240), T238 (= T261), L239 (≠ Q262), M240 (≠ A263), V256 (≠ P279), G257 (= G280), Q259 (vs. gap), T260 (= T282), G279 (= G301), N280 (≠ T302), R281 (= R303), R285 (≠ F307), H286 (≠ T308), D303 (≠ N326), I304 (≠ L327), Q308 (≠ G329), D322 (= D343), A323 (= A344), I399 (≠ G419), G417 (= G437)
binding magnesium ion: D447 (= D466), F452 (≠ M471), L453 (≠ A472), E455 (≠ S474), N474 (= N493), Y476 (≠ G495)
binding thiamine diphosphate: T76 (≠ S87), G395 (= G415), L396 (≠ T416), S397 (≠ M417), L422 (≠ M441), G446 (= G465), D447 (= D466), F448 (≠ G467), D449 (≠ S468), N474 (= N493), Y476 (≠ G495), L477 (≠ Y496), G478 (= G497), L479 (≠ C498), I480 (= I499)
binding ubiquinone-1: Q354 (≠ A375), R358 (≠ M379), C492 (= C506), Q494 (≠ G508)

Sites not aligning to the query:

8i07A Crystal structure of escherichia coli glyoxylate carboligase double mutant in complex with glycolaldehyde (see paper)
25% identity, 84% coverage: 67:583/612 of query aligns to 56:571/594 of 8i07A

query
sites
8i07A

A

S

H

H

A

M

A

A

I

E

A

G

Y

Y

A

T

K

R

T

A

K

T

R

A

R

G

R

N

K

I

A

G

M

V

A

C

V

L

T

G

S

T

S

S

I

-

G

G

P

P

G

A

A

G

T

T

N

D

M

M

V

I

T

T

A

A

A

L

A

Y

L

S

A

A

H

S

V

A

N

D

R

S

L

I

P

P

V

I

L

L

L

C

I

I

P

T

G

G

D

-

V

-

F

-

A

-

N

-

R

Q

R

A

P

P

D

R

P

A

V

R

L

L

Q

H

Q

K

I

-

E

E

D

D

F

F

D

Q

D

A

G

V

T

D

V

I

S

E

A

A

N

-

D

-

C

I

F

A

R

K

P

P

V

V

S

S

R

K

Y

M

F

A

D

V

R

T

I

V

T

R

R

E

P

A

E

A

H

L

L

V

L

P

T

R

A

V

L

L

P

Q

R

Q

A

A

L

F

Q

H

V

L

M

M

T

R

D

S

P

-

A

G

Q
x
R

C
x
P

G

G

P

P

V

V

T

L

L

V

A

D

F

L

C

P

Q

F

D

D

V

V

Q

Q

A

V

E

A

A

E

Y

I

D

E

W

F

P

D

E

P

A

D

F

M

F

Y

A

E

P

P

K

-

V

-

W

L

H

P

I

V

R

Y

R

K

P

P

E

A

P

A

D

S

R

R

R

M

E

Q

L

I

A

E

A

K

V

A

I

V

E

E

M

M

I

L

R

I

A

Q

A

A

Q

E

K

R

P

P

V

V

I

I

V

V

S

A

G
|
G

V

V

L

I

Y
x
N

S

A

G

D

A

A

D

A

Q

A

D

L

L

L

A

Q

F

F

A

A

E

E

K

L

H

T

N

S

I

V

P

P

V

V

V

I

E

P

T
|
T

Q
x
L

A
x
M

G

G

K

W

G

G

A

C

L

I

D

P

W

D

Q

D

H

H

P

E

L

L

N

M

F

A

G

G

S

M

P
x
V

G
|
G

V

L

-
x
Q

T
|
T

G

A

S

H

D

R

C

Y

A

G

N

N

R

A

I

T

C

L

A

L

E

A

A

S

D

D

L

M

I

V

I

F

G

G

A

I

G
|
G

T
x
N

R
|
R

F

F

Q

A

D

Q

F
x
R

T
x
H

T

T

G

G

S

S

W

V

A

E

A

K

F

Y

R

T

N

E

P

-

Q

G

R

R

K

K

L

I

V

V

S

H

V

I

N
x
D

L
x
I

-

E

-

P

T

T

G
x
Q

Y

I

D

G

A

R

A

V

K

L

H

C

S

P

A

D

V

L

P

G

L

I

V

V

A

S

D
|
D

A
|
A

K

K

I

A

A

A

L

L

T

T

A

L

I

L

T

V

A

E

G

V

L

A

E

Q

G

E

H

M

R

Q

F

K

A

A

G

G

P

-

D

R

A

L

S

P

L

C

R

R

T

K

A

E

W

W

F

V

-

A

K

D

A

C

A
x
Q

D

Q

R

R

V

K

M

R

A

T

A

L

P

L

Q

R

G

K

E

T

N

H

P

F

N

D

D

N

L

V

P

P

T

V

D

K

A

P

Q

Q

-

R

V

V

V

Y

G

E

A

E

V

M

Q

N

R

K

Y

A

A

F

G

G

A

R

D

D

T

V

V

C

V

Y

M

V

C

T

A

T

A
x
I

G
|
G

T
x
L

M
x
S

P

Q

G
x
I

A

A

L

A

Q

A

V

Q

L

M

W

L

R

H

A

V

A

F

P

K

G

D

G

R

Y

H

H

W

M

I

E

N

Y

C

G
|
G

Y

Q

S

A

C

G

-

P

M
x
L

G

G

Y

W

E

T

V

I

A

P

G

A

A

A

M

L

G

G

I

V

A

C

L

A

A

A

V

D

P

P

E

K

K

R

E

N

V

V

I

V

C

A

F

I

V

S

G
|
G

D
|
D

G
x
F

S
x
D

Y

F

M

Q

M
x
F

A
x
L

N

I

S
x
E

E

E

L

L

A

A

T

V

A

G

A

A

M

Q

M

F

H

N

V

I

P

P

F

Y

T

I

I

H

V

V

L

L

T

V

D

N

N
|
N

R

A

G
x
Y

Y
x
L

G
|
G

C
x
L

I
|
I

N

R

R

Q

L

S

Q

Q

I

M

E

A

-

F

-

D

-

M

-

D

-

Y

C
|
C

G

V

G
x
Q

A

L

P

A

F

F

N

E

N

N

M

-

Y

-

V

I

D

N

S

S

R

S

H

E

K

V

T

N

F

G

P

Y

E

G

I

V

D

D

F

H

V

V

A

K

H

V

A

A

R

E

A

G

M

L

G

G

A

C

E

K

A

A

V

I

K

R

V

V

-

F

-

K

-

P

A

E

G

D

I

I

A

A

-

P

G

A

L

F

E

E

A

Q

E

A

L

K

A

A

R

L

P

M

R

A

D

Q

R

Y

K

R

V

V

P

P

R

V

V

V

I

V

L

E

I

V

D

I

T

L

E

E

A

R

E

V

S

T

S

N

L

I

G

S

V

M

G

G

G

S

A

E

W

L

W

D

D

N

V

V

binding flavin-adenine dinucleotide: R155 (≠ Q176), P156 (≠ C177), G212 (= G235), G213 (= G236), G214 (= G237), N217 (≠ Y240), T238 (= T261), L239 (≠ Q262), M240 (≠ A263), V256 (≠ P279), G257 (= G280), Q259 (vs. gap), T260 (= T282), G279 (= G301), N280 (≠ T302), R281 (= R303), R285 (≠ F307), H286 (≠ T308), D303 (≠ N326), I304 (≠ L327), Q308 (≠ G329), D322 (= D343), A323 (= A344), I394 (≠ A414), I399 (≠ G419), G417 (= G437)
binding magnesium ion: D447 (= D466), F452 (≠ M471), L453 (≠ A472), E455 (≠ S474), N474 (= N493), Y476 (≠ G495)
binding thiamine diphosphate: I394 (≠ A414), G395 (= G415), L396 (≠ T416), S397 (≠ M417), L422 (≠ M441), G446 (= G465), D447 (= D466), F448 (≠ G467), D449 (≠ S468), N474 (= N493), Y476 (≠ G495), L477 (≠ Y496), G478 (= G497), L479 (≠ C498), I480 (= I499)
binding ubiquinone-1: Q354 (≠ A375), C492 (= C506), Q494 (≠ G508)

Sites not aligning to the query:

binding ubiquinone-1: 589

1t9dB Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, metsulfuron methyl (see paper)
25% identity, 89% coverage: 30:576/612 of query aligns to 20:546/582 of 1t9dB

query
sites
1t9dB

E

Q

G

N

V

V

W

D

A

T

I

V

F

F

G

G

H
x
Y

-

P

-
x
G

G
|
G

N
x
A

V
x
I

A

L

G

P

I

V

G

Y

E

D

A

A

L

I

-

H

-

N

-

S

E

D

K

K

I

F

G

N

D

F

A

V

L

L

P

P

T

-

W

-

R

-

G

-

Q

K

N

H

E
|
E

Q

Q

T

G

M

A

A

G

H

H

A

M

A

A

I

E

A

G

Y

Y

A

A

K

R

T

A

K

S

R

G

R

K

R

P

K

G

A

V

M

V

A

L

V

V

T
|
T

S

S

S

-

I

-

G

G

P
|
P

G

G

A

A

T

T

N

N

M

V

V

V

T

T

A

P

A

M

A

A

L

D

A

A

H

F

V

A

N

D

R

G

L

I

P

P

V

M

L

V

L

-

I

-

P

-

G

-

D

-

V

V

F

F

A

T

N

G

R

Q

R
x
V

P
|
P

D

T

P

S

V

A

L

I

Q

G

Q

-

I

T

E

D

D

A

F
|
F

D
x
Q

D
x
E

G

A

T

D

V

V

S

V

A

G

N

-

D

-

C

I

F

S

R

R

P

S

V

C

S

T

R

K

Y

W

F

N

D

V

R

M

I

V

T

K

R

S

P

V

E

E

H

E

L

L

L

P

T

L

A

R

L

I

P

N

R

E

A

A

L

F

Q

E

V

I

M

A

T

T

D

S

P

-

A

G

Q
x
R

C

P

G

G

P

P

V

V

T

L

L

V

A

D

F

L

C

P

Q
x
K

D

D

V

V

Q

T

A

A

E

A

A

I

Y

L

D

R

W

N

P

P

E

I

A

P

F

F

F

V

A

M

P

-

K

-

V

-

W

-

H

-

I

-

R

-

P

-

E

-

P

-

D

-

R

-

R

Q

E

S

L

I

A

N

A

K

V

A

I

A

E

D

M

L

I

I

R

N

A

L

A

A

Q

K

K

K

P

P

V

V

I

L

V

Y

S

V

G
|
G

G
x
A

G
|
G

V

I

L

L

-
x
N

Y

H

S

A

G

D

A

G

D

P

Q
x
R

D

L

L

L

A

K

A

E

F

L

A

S

E

D

K

R

H

A

N

Q

I

I

P

P

V

V

V

T

E

T

T
|
T

Q
x
L

A
x
Q

G

G

K

L

G

G

A

S

L

F

D

D

W

Q

Q

E

H

D

P

P

L

K

N

S

F

L

G

D

S

M

P
x
L

G

G

V
x
M

T
x
H

G

G

S

C

D

A

C

T

A

A

N

N

R

L

I

A

C

V

A

Q

E

N

A

A

D

D

L

L

I

I

G

A

A

V

G
|
G

T
x
A

R
|
R

F

F

Q
x
D

D
|
D

F
x
R

T
x
V

T

T

G

G

S

N

W

I

A

S

A

K

F

F

R

-

N

-

P

-

Q

A

R

P

K

E

L

A

V

R

S

R

V

A

N

A

L

A

T

E

G

G

Y

R

D

G

A

G

A

I

K

I

H

H

S

F

A
x
E

V
|
V

P

S

L

P

V

K

A
x
N

D

I

A

N

K

K

I

V

A

V

L

Q

T

T

A

Q

I

I

T

A

A

V

G

E

L
x
G

E
x
D

G
x
A

H

T

R

T

F

N

A

L

G

G

P

K

D

M

A

M

S

S

L

K

-

I

-

F

-

P

-

V

-

K

-

E

R

R

T

S

A

E

W

W

F

F

K

A

A

Q

A

I

D

N

R

K

V

W

M

K

A

K

-

E

-

Y

-

P

-

Y

A

A

P

Y

Q

M

G

E

E

E

N

T

P

P

N

G

D

S

L

K

P

I

T

K

D

P

A

Q

Q

T

V

V

V

I

G

K

A

K

V

L

Q

S

R

K

Y

V

A

A

-

N

-

D

-

T

G

G

A

R

D

H

T

V

V

I

V

V

M

T

C

T

A

G

A
x
V

G

G

-

Q

-

H

T
x
Q

M
|
M

P

W

G

A

A

A

L

Q

Q

H

V

W

L

T

W

W

R

R

A

-

A

N

P

P

G

H

G

T

Y

F

H

I

M

T

E

S

Y
x
G

G
|
G

Y
x
L

S
x
G

C

T

M
|
M

G

G

Y

Y

E

G

V

L

A

P

G

A

A

A

M

I

G

G

I

A

A

Q

L

V

A

A

V

K

P

P

E

E

K

S

E

L

V

V

I

I

C

D

F

I

V

D

G

G

D
|
D

G

A

S

S

Y

F

M

N

M
|
M

A

T

N

L

S

T

E

E

L

L

A

S

T

S

A

A

A

V

M

Q

M

A

H

G

V

T

P

P

F

V

T

K

I

I

V

L

L

I

T

L

D

N

N
|
N

R

E

G
x
E

Y
x
Q

G

G

C
x
M

I
x
V

N

T

R

Q

L
x
W

Q

Q

I

-

E

-

C

-

G

-

A

S

P

L

F

F

N

Y

N

E

M

H

Y

R

V

Y

D

S

S

H

R

T

H

H

K

Q

T

L

F

N

P

P

E

-

I

-

D

D

F

F

V

I

A

K

H
x
L

A

A

R

E

A

A

M

M

G
|
G

A
x
L

E

K

A

G

V

L

K

R

V

V

A

K

G

K

I

Q

A

E

G

E

L

L

E

D

A

A

E

K

L

L

A

K

R

E

P

F

R

V

D

S

R

T

K

K

V

G

P

P

R

-

V

-

I

V

L

L

I

L

D

E

T

V

E

E

A

V

E

D

S
x
K

S

K

L

V

G

P

V

V

active site: Y28 (≠ H38), G30 (vs. gap), G31 (= G39), A32 (≠ N40), I33 (≠ V41), E54 (= E63), T77 (= T86), F116 (= F133), Q117 (≠ D134), E118 (≠ D135), K166 (≠ Q186), R213 (≠ Q245), M249 (≠ V281), V276 (≠ T308), V392 (≠ A414), L417 (≠ Y438), G418 (≠ S439), M420 (= M441), D445 (= D466), N472 (= N493), E474 (≠ G495), Q475 (≠ Y496), M477 (≠ C498), V478 (≠ I499), W481 (≠ L502), L503 (≠ H531), G508 (= G536), L509 (≠ A537), K542 (≠ S572)
binding methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: G31 (= G39), A32 (≠ N40), V106 (≠ R122), P107 (= P123), F116 (= F133), K166 (≠ Q186), M249 (≠ V281), D274 (= D306), R275 (≠ F307), W481 (≠ L502)
binding flavin-adenine dinucleotide: R156 (≠ Q176), G202 (= G235), A203 (≠ G236), G204 (= G237), N207 (vs. gap), T229 (= T261), L230 (≠ Q262), Q231 (≠ A263), L247 (≠ P279), M249 (≠ V281), H250 (≠ T282), G269 (= G301), A270 (≠ T302), R271 (= R303), D273 (≠ Q305), R275 (≠ F307), V276 (≠ T308), E302 (≠ A337), V303 (= V338), N307 (≠ A342), G320 (≠ L355), D321 (≠ E356), A322 (≠ G357), Q396 (≠ T416), M397 (= M417), G415 (≠ Y436), G416 (= G437)
binding magnesium ion: D445 (= D466), N472 (= N493), E474 (≠ G495)
binding 2,5-dimethyl-pyrimidin-4-ylamine: E54 (= E63), P80 (= P91), G418 (≠ S439), M420 (= M441), M450 (= M471)

1t9bA Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron (see paper)
25% identity, 89% coverage: 30:576/612 of query aligns to 21:547/583 of 1t9bA

query
sites
1t9bA

E

Q

G

N

V

V

W

D

A

T

I

V

F

F

G

G

H
x
Y

-

P

-
x
G

G
|
G

N
x
A

V
x
I

A

L

G

P

I

V

G

Y

E

D

A

A

L

I

-

H

-

N

-

S

E

D

K

K

I

F

G

N

D

F

A

V

L

L

P

P

T

-

W

-

R

-

G

-

Q

K

N

H

E
|
E

Q

Q

T

G

M

A

A

G

H

H

A

M

A

A

I

E

A

G

Y

Y

A

A

K

R

T

A

K

S

R

G

R

K

R

P

K

G

A

V

M

V

A

L

V

V

T
|
T

S

S

S

-

I

-

G

G

P

P

G

G

A

A

T

T

N

N

M

V

V

V

T

T

A

P

A

M

A

A

L

D

A

A

H

F

V

A

N

D

R

G

L

I

P

P

V

M

L

V

L

-

I

-

P

-

G

-

D

-

V

V

F

F

A

T

N

G

R

Q

R
x
V

P
|
P

D

T

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S

V

A

L

I

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G

Q

-

I

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E

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D

A

F
|
F

D
x
Q

D
x
E

G

A

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D

V

V

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V

A

G

N

-

D

-

C

I

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P

S

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C

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Y

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N

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V

E

E

H

E

L

L

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A

R

L

I

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N

R

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A

A

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A

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T

D

S

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-

A

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R

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L

L

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A

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K

D

D

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A

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A

A

I

Y

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D

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N

P

P

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I

A

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V

A

M

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K

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A

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A

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I

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N

A

L

A

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K

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P

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I

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Y

S

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G
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G

G
x
A

G
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G

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I

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L

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x
N

Y

H

S

A

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D

A

G

D

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x
R

D

L

L

L

A

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A

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E

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T

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L

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Q

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G

A

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L

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M

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x
L

G

G

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x
M

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x
H

G

G

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D

A

C

T

A

A

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N

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R

V

A

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A

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A

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G

G

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A

I

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I

H

H

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E

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x
N

D

I

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K

I

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A

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A

Q

I

I

T

A

A

V

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E

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x
D

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A

H

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N

A

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M

A

M

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-

I

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E

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F

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A

A

Q

A

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N

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K

-

E

-

Y

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P

-

Y

A

A

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Y

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M

G

E

E

E

N

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N

G

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L

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I

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K

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P

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Q

T

V

V

V

I

G

K

A

K

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L

Q

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Y

V

A

A

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N

-

D

-

T

G

G

A

R

D

H

T

V

V

I

V

V

M

T

C

T

A

G

A
x
V

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G

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-

H

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M

P

W

G

A

A

A

L

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Q

H

V

W

L

T

W

W

R

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A

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A

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H

G

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Y

F

H

I

M

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x
G

G
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G

Y
x
L

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x
G

C

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M
|
M

G

G

Y

Y

E

G

V

L

A

P

G

A

A

A

M

I

G

G

I

A

A

Q

L

V

A

A

V

K

P

P

E

E

K

S

E

L

V

V

I

I

C

D

F

I

V

D

G

G

D
|
D

G

A

S

S

Y

F

M

N

M

M

A

T

N

L

S

T

E

E

L

L

A

S

T

S

A

A

A

V

M

Q

M

A

H

G

V

T

P

P

F

V

T

K

I

I

V

L

L

I

T

L

D

N

N
|
N

R

E

G
x
E

Y
x
Q

G

G

C
x
M

I
x
V

N

T

R

Q

L
x
W

Q

Q

I

-

E

-

C

-

G

-

A

S

P

L

F

F

N

Y

N

E

M

H

Y

R

V

Y

D

S

S

H

R

T

H

H

K

Q

T

L

F

N

P

P

E

-

I

-

D

D

F

F

V

I

A

K

H
x
L

A

A

R

E

A

A

M

M

G
|
G

A
x
L

E

K

A

G

V

L

K

R

V

V

A

K

G

K

I

Q

A

E

G

E

L

L

E

D

A

A

E

K

L

L

A

K

R

E

P

F

R

V

D

S

R

T

K

K

V

G

P

P

R

-

V

-

I

V

L

L

I

L

D

E

T

V

E

E

A

V

E

D

S
x
K

S

K

L

V

G

P

V

V

active site: Y29 (≠ H38), G31 (vs. gap), G32 (= G39), A33 (≠ N40), I34 (≠ V41), E55 (= E63), T78 (= T86), F117 (= F133), Q118 (≠ D134), E119 (≠ D135), K167 (≠ Q186), R214 (≠ Q245), M250 (≠ V281), V277 (≠ T308), V393 (≠ A414), L418 (≠ Y438), G419 (≠ S439), M421 (= M441), D446 (= D466), N473 (= N493), E475 (≠ G495), Q476 (≠ Y496), M478 (≠ C498), V479 (≠ I499), W482 (≠ L502), L504 (≠ H531), G509 (= G536), L510 (≠ A537), K543 (≠ S572)
binding 1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea: V107 (≠ R122), P108 (= P123), F117 (= F133), D275 (= D306), R276 (≠ F307), M478 (≠ C498), W482 (≠ L502)
binding flavin-adenine dinucleotide: R157 (≠ Q176), G203 (= G235), A204 (≠ G236), G205 (= G237), N208 (vs. gap), T230 (= T261), L231 (≠ Q262), Q232 (≠ A263), M247 (≠ S278), L248 (≠ P279), M250 (≠ V281), H251 (≠ T282), G270 (= G301), A271 (≠ T302), R272 (= R303), D274 (≠ Q305), R276 (≠ F307), V277 (≠ T308), E303 (≠ A337), V304 (= V338), N308 (≠ A342), D322 (≠ E356), A323 (≠ G357), Q397 (≠ T416), M398 (= M417), G416 (≠ Y436), G417 (= G437)
binding magnesium ion: D446 (= D466), N473 (= N493), E475 (≠ G495)

8i01A Crystal structure of escherichia coli glyoxylate carboligase (see paper)
25% identity, 84% coverage: 67:583/612 of query aligns to 56:571/594 of 8i01A

query
sites
8i01A

A

S

H

H

A

M

A

A

I

E

A

G

Y

Y

A

T

K

R

T

A

K

T

R

A

R

G

R

N

K

I

A

G

M

V

A

C

V

L

T

G

S

T

S

S

I

-

G

G

P

P

G

A

A

G

T

T

N

D

M

M

V

I

T

T

A

A

A

L

A

Y

L

S

A

A

H

S

V

A

N

D

R

S

L

I

P

P

V

I

L

L

L

C

I

I

P

T

G

G

D

-

V

-

F

-

A

-

N

-

R

Q

R

A

P

P

D

R

P

A

V

R

L

L

Q

H

Q

K

I

-

E

E

D

D

F

F

D

Q

D

A

G

V

T

D

V

I

S

E

A

A

N

-

D

-

C

I

F

A

R

K

P

P

V

V

S

S

R

K

Y

M

F

A

D

V

R

T

I

V

T

R

R

E

P

A

E

A

H

L

L

V

L

P

T

R

A

V

L

L

P

Q

R

Q

A

A

L

F

Q

H

V

L

M

M

T

R

D

S

P

-

A

G

Q
x
R

C

P

G

G

P

P

V

V

T

L

L

V

A

D

F

L

C

P

Q

F

D

D

V

V

Q

Q

A

V

E

A

A

E

Y

I

D

E

W

F

P

D

E

P

A

D

F

M

F

Y

A

E

P

P

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-

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L

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Y

R

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P

P

E

A

P

A

D

S

R

R

R

M

E

Q

L

I

A

E

A

K

V

A

I

V

E

E

M

M

I

L

R

I

A

Q

A

A

Q

E

K

R

P

P

V

V

I

I

V

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A

G
|
G

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V

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I

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x
N

S

A

G

D

A

A

D

A

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A

D

L

L

L

A

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F

F

A

A

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E

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P

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V

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T

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L

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M

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W

G

G

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C

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D

Q

D

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L

L

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M

F

A

G

G

S

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x
V

G
|
G

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L

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x
Q

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|
T

G

A

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H

D

R

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Y

A

G

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N

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A

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C

L

A

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E

A

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D

D

L

M

I

V

I

F

G

G

A

I

G
|
G

T
x
N

R
|
R

F

F

Q
x
A

D

N

F
x
R

T
x
H

T

T

G

G

S

S

W

V

A

E

A

K

F

Y

R

T

N

E

P

-

Q

G

R

R

K

K

L

I

V

V

S

H

V

I

N
x
D

L
x
I

-

E

-

P

T

T

G
x
Q

Y

I

D

G

A

R

A

V

K

L

H

C

S

P

A

D

V

L

P

G

L

I

V

V

A

S

D
|
D

A
|
A

K

K

I

A

A

A

L

L

T

T

A

L

I

L

T

V

A

E

G

V

L

A

E

Q

G

E

H

M

R

Q

F

K

A

A

G

G

P

-

D

R

A

L

S

P

L

C

R

R

T

K

A

E

W

W

F

V

-

A

K

D

A

C

A
x
Q

D

Q

R

R

V

K

M

R

A

T

A

L

P

L

Q

R

G

K

E

T

N

H

P

F

N

D

D

N

L

V

P

P

T

V

D

K

A

P

Q

Q

-

R

V

V

V

Y

G

E

A

E

V

M

Q

N

R

K

Y

A

A

F

G

G

A

R

D

D

T

V

V

C

V

Y

M

V

C

T

A

T

A

I

G
|
G

T
x
L

M
x
S

P

Q

G

I

A

A

L

A

Q

A

V

Q

L

M

W

L

R

H

A

V

A

F

P

K

G

D

G

R

Y

H

H

W

M

I

E

N

Y

C

G
|
G

Y

Q

S

A

C

G

-

P

M
x
L

G

G

Y

W

E

T

V

I

A

P

G

A

A

A

M

L

G

G

I

V

A

C

L

A

A

A

V

D

P

P

E

K

K

R

E

N

V

V

I

V

C

A

F

I

V

S

G
|
G

D
|
D

G
x
F

S
x
D

Y

F

M

Q

M
x
F

A

L

N

I

S
x
E

E

E

L

L

A

A

T

V

A

G

A

A

M

Q

M

F

H

N

V

I

P

P

F

Y

T

I

I

H

V

V

L

L

T

V

D

N

N
|
N

R

A

G
x
Y

Y
x
L

G
|
G

C
x
L

I
|
I

N

R

R

Q

L

S

Q

Q

I

R

E

A

-

F

-

D

-

L

-

D

-

Y

C
|
C

G

V

G
x
Q

A

L

P

A

F

F

N

E

N

N

M

-

Y

-

V

I

D

N

S

S

R

S

H

E

K

V

T

N

F

G

P

Y

E

G

I

V

D

D

F

H

V

V

A

K

H

V

A

A

R

E

A

G

M

L

G

G

A

C

E

K

A

A

V

I

K

R

V

V

-

F

-

K

-

P

A

E

G

D

I

I

A

A

-

P

G

A

L

F

E

E

A

Q

E

A

L

K

A

A

R

L

P

M

R

A

D

Q

R

Y

K

R

V

V

P

P

R

V

V

V

I

V

L

E

I

V

D

I

T

L

E

E

A

R

E

V

S

T

S

N

L

I

G

S

V

M

G

G

G

S

A

E

W

L

W

D

D

N

V

V

binding flavin-adenine dinucleotide: R155 (≠ Q176), G212 (= G235), G213 (= G236), G214 (= G237), N217 (≠ Y240), T238 (= T261), L239 (≠ Q262), M240 (≠ A263), V256 (≠ P279), G257 (= G280), Q259 (vs. gap), T260 (= T282), G279 (= G301), N280 (≠ T302), R281 (= R303), A283 (≠ Q305), R285 (≠ F307), H286 (≠ T308), D303 (≠ N326), I304 (≠ L327), Q308 (≠ G329), D322 (= D343), A323 (= A344), G417 (= G437)
binding magnesium ion: D447 (= D466), F452 (≠ M471), E455 (≠ S474), N474 (= N493), Y476 (≠ G495)
binding thiamine diphosphate: G395 (= G415), L396 (≠ T416), S397 (≠ M417), L422 (≠ M441), G446 (= G465), D447 (= D466), F448 (≠ G467), D449 (≠ S468), N474 (= N493), Y476 (≠ G495), L477 (≠ Y496), G478 (= G497), L479 (≠ C498), I480 (= I499)
binding 2,3-dimethoxy-5-methyl-1,4-benzoquinone: Q354 (≠ A375), C492 (= C506), Q494 (≠ G508)

Sites not aligning to the query:

binding 2,3-dimethoxy-5-methyl-1,4-benzoquinone: 589

5wkcA Saccharomyces cerevisiae acetohydroxyacid synthase in complex with the herbicide penoxsulam (see paper)
25% identity, 91% coverage: 30:588/612 of query aligns to 21:575/591 of 5wkcA

query
sites
5wkcA

E

Q

G

N

V

V

W

D

A

T

I

V

F

F

G

G

H
x
Y

-
x
P

-
x
G

G
|
G

N
x
A

V
x
I

A

L

G

P

I

V

G

Y

E

D

A

A

L

I

-

H

-

N

-

S

E

D

K

K

I

F

G

N

D

F

A

V

L

L

P

P

T

-

W

-

R

-

G

-

Q

K

N

H

E
|
E

Q

Q

T

G

M

A

A

G

H

H

A

M

A

A

I

E

A

G

Y

Y

A

A

K

R

T

A

K

S

R

G

R

K

R

P

K

G

A

V

M

V

A

L

V

V

T
|
T

S

S

S

-

I

-

G

G

P

P

G

G

A

A

T

T

N

N

M

V

V

V

T

T

A

P

A

M

A

A

L

D

A

A

H

F

V

A

N

D

R

G

L

I

P

P

V

M

L

V

L

-

I

-

P

-

G

-

D

-

V

V

F

F

A

T

N

G

R

Q

R
x
V

P

P

D

T

P

S

V

A

L

I

Q

G

Q

-

I

T

E

D

D

A

F
|
F

D
x
Q

D
x
E

G

A

T

D

V

V

S

V

A

G

N

-

D

-

C

I

F

S

R

R

P

S

V

C

S

T

R

K

Y

W

F

N

D

V

R

M

I

V

T

K

R

S

P

V

E

E

H

E

L

L

L

P

T

L

A

R

L

I

P

N

R

E

A

A

L

F

Q

E

V

I

M

A

T

T

D

S

P

-

A

G

Q
x
R

C

P

G

G

P

P

V

V

T

L

L

V

A

D

F

L

C

P

Q
x
K

D

D

V

V

Q

T

A

A

E

A

A

I

Y

-

D

-

W

-

P

-

E

-

A

-

F

-

A

-

P

-

K

-

V

-

W

-

H

-

I

L

R

R

R

N

P

P

E

I

P

P

D

T

R

K

-

T

-

A

-

Q

-

D

-

E

-

F

-

V

-

M

R

Q

E

S

L

I

A

N

A

K

V

A

I

A

E

D

M

L

I

I

R

N

A

L

A

A

Q

K

K

K

P

P

V

V

I

L

V

Y

S

V

G
|
G

G
x
A

G
|
G

V

I

L

L

-
x
N

Y

H

S

A

G

D

A

G

D

P

Q
x
R

D

L

L

L

A

K

A

E

F

L

A

S

E

D

K

R

H

A

N

Q

I

I

P

P

V

V

V

T

E

T

T
|
T

Q
x
L

A
x
Q

G

G

K

L

G

G

A

S

L

F

D

D

W

Q

Q

E

H

D

P

P

L

K

N

S

F

L

G

D

S

M

P
x
L

G

G

V
x
M

T

H

G

G

S

C

D

A

C

T

A

A

N

N

R

L

I

A

C

V

A

Q

E

N

A

A

D

D

L

L

I

I

G

A

A

V

G
|
G

T
x
A

R
|
R

F

F

Q

D

D

D

F
x
R

T
x
V

T

T

G

G

S

N

W

I

A

S

A

K

F

F

R

-

N

-

P

-

Q

A

R

P

K

E

L

A

V

R

S

R

V

A

N

A

L

A

T

E

G

G

Y

R

D

G

A

G

A

I

K

I

H

H

S

F

A
x
E

V
|
V

P

S

L

P

V

K

A
x
N

D

I

A

N

K

K

I

V

A

V

L

Q

T

T

A

Q

I

I

T

A

A

V

G

E

L

G

E
x
D

G
x
A

H

T

R

T

F

N

A

L

G

G

P

K

D

M

A

M

S

S

L

K

-

I

-

F

-

P

-

V

-

K

-

E

R

R

T

S

A

E

W

W

F

F

K

A

A

Q

A

I

D

N

R

K

V

W

M

K

A

K

-

E

-

Y

-

P

-

Y

A

A

P

Y

Q

M

G

E

E

E

N

T

P

P

N

G

D

S

L

K

P

I

T

K

D

P

A

Q

Q

T

V

V

V

I

G

K

A

K

V

L

Q

S

R

K

Y

V

A

A

-

N

-

D

-

T

G

G

A

R

D

H

T

V

V

I

V

V

M

T

C

T

A

G

A
x
V

G
|
G

-
x
Q

-
x
H

T

Q

M
|
M

P

W

G

A

A

A

L

Q

Q

H

V

W

L

T

W

W

R

R

A

-

A

N

P

P

G

H

G

T

Y

F

H

I

M

T

E

S

Y
x
G

G

G

Y
x
L

S
x
G

C

T

M
|
M

G

G

Y

Y

E

G

V

L

A

P

G

A

A

A

M

I

G

G

I

A

A

Q

L

V

A

A

V

K

P

P

E

E

K

S

E

L

V

V

I

I

C

D

F

I

V

D

G
|
G

D
|
D

G
x
A

S
|
S

Y

F

M

N

M
|
M

A

T

N

L

S

T

E

E

L

L

A

S

T

S

A

A

A

V

M

Q

M

A

H

G

V

T

P

P

F

V

T

K

I

I

V

L

L

I

T

L

D

N

N
|
N

R

E

G
x
E

Y
x
Q

G
|
G

C
x
M

I
x
V

N

T

R

Q

L
x
W

Q

Q

I

-

E

-

C

-

G

-

A

S

P

L

F

F

N

Y

N

E

M

H

Y

R

V

Y

D

S

S

H

R

T

H

H

K

Q

T

L

F

N

P

P

E

-

I

-

D

D

F

F

V

I

A

K

H
x
L

A

A

R

E

A

A

M

M

G
|
G

A
x
L

E

K

A

G

V

L

K

R

V

V

A

K

G

K

I

Q

A

E

G

E

L

L

E

D

A

A

E

K

L

L

A

K

R

E

P

F

R

V

D

S

R

T

K

K

V

G

P

P

R

-

V

-

I

V

L

L

I

L

D

E

T

V

E

E

A

V

E

D

S
x
K

S

K

L

V

G

P

V

V

-

L

-

P

-

M

-

V

-

A

G

G

A

S

W

G

W

L

D

D

V

E

A

F

V

I

-

N

-

F

-

D

P

P

E

E

V

V

active site: Y29 (≠ H38), G31 (vs. gap), G32 (= G39), A33 (≠ N40), I34 (≠ V41), E55 (= E63), T78 (= T86), F117 (= F133), Q118 (≠ D134), E119 (≠ D135), K167 (≠ Q186), R222 (≠ Q245), M258 (≠ V281), V285 (≠ T308), V401 (≠ A414), L426 (≠ Y438), G427 (≠ S439), M429 (= M441), D454 (= D466), N481 (= N493), E483 (≠ G495), Q484 (≠ Y496), M486 (≠ C498), V487 (≠ I499), W490 (≠ L502), L512 (≠ H531), G517 (= G536), L518 (≠ A537), K551 (≠ S572)
binding 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate: V401 (≠ A414), G402 (= G415), Q403 (vs. gap), H404 (vs. gap), G427 (≠ S439), M429 (= M441), G453 (= G465), D454 (= D466), A455 (≠ G467), S456 (= S468), M459 (= M471), N481 (= N493), E483 (≠ G495), Q484 (≠ Y496), G485 (= G497), M486 (≠ C498), V487 (≠ I499)
binding ethaneperoxoic acid: G32 (= G39), Q118 (≠ D134)
binding flavin-adenine dinucleotide: R157 (≠ Q176), G211 (= G235), A212 (≠ G236), G213 (= G237), N216 (vs. gap), T238 (= T261), L239 (≠ Q262), Q240 (≠ A263), L256 (≠ P279), M258 (≠ V281), G278 (= G301), A279 (≠ T302), R280 (= R303), R284 (≠ F307), V285 (≠ T308), E311 (≠ A337), V312 (= V338), N316 (≠ A342), D330 (≠ E356), A331 (≠ G357), M406 (= M417), G424 (≠ Y436)
binding magnesium ion: D454 (= D466), N481 (= N493), E483 (≠ G495)
binding 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide: G32 (= G39), A33 (≠ N40), V107 (≠ R122), F117 (= F133), K167 (≠ Q186), M258 (≠ V281), R284 (≠ F307), M486 (≠ C498), W490 (≠ L502)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: P30 (vs. gap), E55 (= E63)

1t9dA Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, metsulfuron methyl (see paper)
26% identity, 91% coverage: 30:588/612 of query aligns to 21:580/596 of 1t9dA

query
sites
1t9dA

E

Q

G

N

V

V

W

D

A

T

I

V

F

F

G

G

H
x
Y

-

P

-
x
G

G
|
G

N
x
A

V
x
I

A

L

G

P

I

V

G

Y

E

D

A

A

L

I

-

H

-

N

-

S

E

D

K

K

I

F

G

N

D

F

A

V

L

L

P

P

T

-

W

-

R

-

G

-

Q

K

N

H

E
|
E

Q

Q

T

G

M

A

A

G

H

H

A

M

A

A

I

E

A

G

Y

Y

A

A

K

R

T

A

K

S

R

G

R

K

R

P

K

G

A

V

M

V

A

L

V

V

T
|
T

S

S

S

-

I

-

G

G

P
|
P

G

G

A

A

T

T

N

N

M

V

V

V

T

T

A

P

A

M

A

A

L

D

A

A

H

F

V

A

N

D

R

G

L

I

P

P

V

M

L

V

L

-

I

-

P

-

G

-

D

-

V

V

F

F

A

T

N

G

R

Q

R
x
V

P
|
P

D

T

P

S

V

A

L

I

Q

G

Q

-

I

T

E

D

D

A

F
|
F

D
x
Q

D
x
E

G

A

T

D

V

V

S

V

A

G

N

-

D

-

C

I

F

S

R

R

P

S

V

C

S

T

R

K

Y

W

F

N

D

V

R

M

I

V

T

K

R

S

P

V

E

E

H

E

L

L

L

P

T

L

A

R

L

I

P

N

R

E

A

A

L

F

Q

E

V

I

M

A

T

T

D

S

P

-

A

G

Q
x
R

C

P

G

G

P

P

V

V

T

L

L

V

A

D

F

L

C

P

Q
x
K

D

D

V

V

Q

T

A

A

E

A

A

I

Y

L

D

R

W

N

P

P

E

I

A

P

F

T

F

K

A

T

P

T

K

L

V

P

W

T

H

S

I

R

R

A

R

Q

P

D

E

E

P

F

D

V

R

M

R

Q

E

S

L

I

A

N

A

K

V

A

I

A

E

D

M

L

I

I

R

N

A

L

A

A

Q

K

K

K

P

P

V

V

I

L

V

Y

S

V

G
|
G

G
x
A

G
|
G

V

I

L

L

-
x
N

Y

H

S

A

G

D

A

G

D

P

Q
x
R

D

L

L

L

A

K

A

E

F

L

A

S

E

D

K

R

H

A

N

Q

I

I

P

P

V

V

V

T

E

T

T
|
T

Q
x
L

A
x
Q

G

G

K

L

G

G

A

S

L

F

D

D

W

Q

Q

E

H

D

P

P

L

K

N

S

F

L

G

D

S
x
M

P
x
L

G

G

V
x
M

T
x
H

G

G

S

C

D

A

C

T

A

A

N

N

R

L

I

A

C

V

A

Q

E

N

A

A

D

D

L

L

I

I

G

A

A

V

G
|
G

T
x
A

R
|
R

F

F

Q
x
D

D
|
D

F
x
R

T
x
V

T

T

G

G

S

N

W

I

A

S

A

K

F

F

R

-

N

-

P

-

Q

A

R

P

K

E

L

A

V

R

S

R

V

A

N

A

L

A

T

E

G

G

Y

R

D

G

A

G

A

I

K

I

H

H

S

F

A
x
E

V
|
V

P

S

L

P

V

K

A
x
N

D

I

A

N

K

K

I

V

A

V

L

Q

T

T

A

Q

I

I

T

A

A

V

G

E

L
x
G

E
x
D

G
x
A

H

T

R

T

F

N

A

L

G

G

P

K

D

M

A

M

S

S

L

K

-

I

-

F

-

P

-

V

-

K

-

E

R

R

T

S

A

E

W

W

F

F

K

A

A

Q

A

I

D

N

R

K

V

W

M

K

A

K

-

E

-

Y

-

P

-

Y

A

A

P

Y

Q

M

G

E

E

E

N

T

P

P

N

G

D

S

L

K

P

I

T

K

D

P

A

Q

Q

T

V

V

V

I

G

K

A

K

V

L

Q

S

R

K

Y

V

A

A

-

N

-

D

-

T

G

G

A

R

D

H

T

V

V

I

V

V

M

T

C

T

A

G

A
x
V

G

G

-

Q

-

H

T
x
Q

M
|
M

P

W

G

A

A

A

L

Q

Q

H

V

W

L

T

W

W

R

R

A

-

A

N

P

P

G

H

G

T

Y

F

H

I

M

T

E

S

Y
x
G

G
|
G

Y
x
L

S
x
G

C

T

M
|
M

G

G

Y

Y

E

G

V

L

A

P

G

A

A

A

M

I

G

G

I

A

A

Q

L

V

A

A

V

K

P

P

E

E

K

S

E

L

V

V

I

I

C

D

F

I

V

D

G

G

D
|
D

G

A

S

S

Y

F

M

N

M
|
M

A

T

N

L

S

T

E

E

L

L

A

S

T

S

A

A

A

V

M

Q

M

A

H

G

V

T

P

P

F

V

T

K

I

I

V

L

L

I

T

L

D

N

N
|
N

R

E

G
x
E

Y
x
Q

G

G

C
x
M

I
x
V

N

T

R

Q

L
x
W

Q

Q

I

-

E

-

C

-

G

-

A

S

P

L

F

F

N

Y

N

E

M

H

Y

R

V

Y

D

S

S

H

R

T

H

H

K

Q

T

L

F

N

P

P

E

-

I

-

D

D

F

F

V

I

A

K

H
x
L

A

A

R

E

A

A

M

M

G
|
G

A
x
L

E

K

A

G

V

L

K

R

V

V

A

K

G

K

I

Q

A

E

G

E

L

L

E

D

A

A

E

K

L

L

A

K

R

E

P

F

R

V

D

S

R

T

K

K

V

G

P

P

R

-

V

-

I

V

L

L

I

L

D

E

T

V

E

E

A

V

E

D

S
x
K

S

K

L

V

G

P

V

V

-

L

-

P

-

M

-

V

-

A

G

G

A

S

W

G

W

L

D

D

V

E

A

F

V

I

-

N

-

F

-

D

P

P

E

E

V

V

active site: Y29 (≠ H38), G31 (vs. gap), G32 (= G39), A33 (≠ N40), I34 (≠ V41), E55 (= E63), T78 (= T86), F117 (= F133), Q118 (≠ D134), E119 (≠ D135), K167 (≠ Q186), R227 (≠ Q245), M263 (≠ V281), V290 (≠ T308), V406 (≠ A414), L431 (≠ Y438), G432 (≠ S439), M434 (= M441), D459 (= D466), N486 (= N493), E488 (≠ G495), Q489 (≠ Y496), M491 (≠ C498), V492 (≠ I499), W495 (≠ L502), L517 (≠ H531), G522 (= G536), L523 (≠ A537), K556 (≠ S572)
binding methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: G32 (= G39), A33 (≠ N40), V107 (≠ R122), P108 (= P123), F117 (= F133), K167 (≠ Q186), M263 (≠ V281), D288 (= D306), R289 (≠ F307), W495 (≠ L502)
binding flavin-adenine dinucleotide: R157 (≠ Q176), G216 (= G235), A217 (≠ G236), G218 (= G237), N221 (vs. gap), T243 (= T261), L244 (≠ Q262), Q245 (≠ A263), M260 (≠ S278), L261 (≠ P279), H264 (≠ T282), G283 (= G301), A284 (≠ T302), R285 (= R303), D287 (≠ Q305), R289 (≠ F307), V290 (≠ T308), E316 (≠ A337), V317 (= V338), N321 (≠ A342), G334 (≠ L355), D335 (≠ E356), A336 (≠ G357), Q410 (≠ T416), M411 (= M417), G429 (≠ Y436), G430 (= G437)
binding magnesium ion: D459 (= D466), N486 (= N493), E488 (≠ G495)
binding 2,5-dimethyl-pyrimidin-4-ylamine: E55 (= E63), P81 (= P91), Q118 (≠ D134), G432 (≠ S439), M434 (= M441), M464 (= M471)

1t9aA Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl (see paper)
26% identity, 91% coverage: 30:588/612 of query aligns to 22:581/597 of 1t9aA

query
sites
1t9aA

E

Q

G

N

V

V

W

D

A

T

I

V

F

F

G

G

H
x
Y

-

P

-
x
G

G
|
G

N
x
A

V
x
I

A

L

G

P

I

V

G

Y

E

D

A

A

L

I

-

H

-

N

-

S

E

D

K

K

I

F

G

N

D

F

A

V

L

L

P

P

T

-

W

-

R

-

G

-

Q

K

N

H

E
|
E

Q

Q

T

G

M

A

A

G

H

H

A

M

A

A

I

E

A

G

Y

Y

A

A

K

R

T

A

K

S

R

G

R

K

R

P

K

G

A

V

M

V

A

L

V

V

T
|
T

S

S

S

-

I

-

G

G

P

P

G

G

A

A

T

T

N

N

M

V

V

V

T

T

A

P

A

M

A

A

L

D

A

A

H

F

V

A

N

D

R

G

L

I

P

P

V

M

L

V

L

-

I

-

P

-

G

-

D

-

V

V

F

F

A

T

N

G

R

Q

R
x
V

P
|
P

D

T

P

S

V

A

L

I

Q

G

Q

-

I

T

E

D

D

A

F
|
F

D
x
Q

D
x
E

G

A

T

D

V

V

S

V

A

G

N

-

D

-

C

I

F

S

R

R

P

S

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C

S

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R

K

Y

W

F

N

D

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I

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T

K

R

S

P

V

E

E

H

E

L

L

L

P

T

L

A

R

L

I

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N

R

E

A

A

L

F

Q

E

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I

M

A

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T

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S

P

-

A

G

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x
R

C

P

G

G

P

P

V

V

T

L

L

V

A

D

F

L

C

P

Q
x
K

D

D

V

V

Q

T

A

A

E

A

A

I

Y

L

D

R

W

N

P

P

E

I

A

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T

F

K

A

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T

K

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T

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A

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D

E

E

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D

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R

Q

E

S

L

I

A

N

A

K

V

A

I

A

E

D

M

L

I

I

R

N

A

L

A

A

Q

K

K

K

P

P

V

V

I

L

V

Y

S

V

G
|
G

G
x
A

G
|
G

V

I

L

L

-
x
N

Y

H

S

A

G

D

A

G

D

P

Q
x
R

D

L

L

L

A

K

A

E

F

L

A

S

E

D

K

R

H

A

N

Q

I

I

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V

V

T

E

T

T
|
T

Q
x
L

A
x
Q

G

G

K

L

G

G

A

S

L

F

D

D

W

Q

Q

E

H

D

P

P

L

K

N

S

F

L

G

D

S

M

P
x
L

G

G

V
x
M

T
x
H

G

G

S

C

D

A

C

T

A

A

N

N

R

L

I

A

C

V

A

Q

E

N

A

A

D

D

L

L

I

I

G

A

A

V

G
|
G

T
x
A

R
|
R

F

F

Q
x
D

D
|
D

F
x
R

T
x
V

T

T

G

G

S

N

W

I

A

S

A

K

F

F

R

-

N

-

P

-

Q

A

R

P

K

E

L

A

V

R

S

R

V

A

N

A

L

A

T

E

G

G

Y

R

D

G

A

G

A

I

K

I

H

H

S

F

A
x
E

V
|
V

P

S

L

P

V

K

A
x
N

D

I

A

N

K

K

I

V

A

V

L

Q

T

T

A

Q

I

I

T

A

A

V

G

E

L
x
G

E
x
D

G
x
A

H

T

R

T

F

N

A

L

G

G

P

K

D

M

A

M

S

S

L

K

-

I

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P

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V

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K

-

E

R

R

T

S

A

E

W

W

F

F

K

A

A

Q

A

I

D

N

R

K

V

W

M

K

A

K

-

E

-

Y

-

P

-

Y

A

A

P

Y

Q

M

G

E

E

E

N

T

P

P

N

G

D

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L

K

P

I

T

K

D

P

A

Q

Q

T

V

V

V

I

G

K

A

K

V

L

Q

S

R

K

Y

V

A

A

-

N

-

D

-

T

G

G

A

R

D

H

T

V

V

I

V

V

M

T

C

T

A

G

A
x
V

G
|
G

-
x
Q

-
x
H

T
x
Q

M
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M

P

W

G

A

A

A

L

Q

Q

H

V

W

L

T

W

W

R

R

A

-

A

N

P

P

G

H

G

T

Y

F

H

I

M

T

E

S

Y
x
G

G
|
G

Y
x
L

S
x
G

C

T

M
|
M

G

G

Y

Y

E

G

V

L

A

P

G

A

A

A

M

I

G

G

I

A

A

Q

L

V

A

A

V

K

P

P

E

E

K

S

E

L

V

V

I

I

C

D

F

I

V

D

G
|
G

D
|
D

G
x
A

S
|
S

Y

F

M

N

M
|
M

A

T

N

L

S

T

E

E

L

L

A

S

T

S

A

A

A

V

M

Q

M

A

H

G

V

T

P

P

F

V

T

K

I

I

V

L

L

I

T

L

D

N

N
|
N

R

E

G
x
E

Y
x
Q

G
|
G

C
x
M

I
x
V

N

T

R

Q

L
x
W

Q

Q

I

-

E

-

C

-

G

-

A

S

P

L

F

F

N

Y

N

E

M

H

Y

R

V

Y

D

S

S

H

R

T

H

H

K

Q

T

L

F

N

P

P

E

-

I

-

D

D

F

F

V

I

A

K

H
x
L

A

A

R

E

A

A

M

M

G
|
G

A
x
L

E

K

A

G

V

L

K

R

V

V

A

K

G

K

I

Q

A

E

G

E

L

L

E

D

A

A

E

K

L

L

A

K

R

E

P

F

R

V

D

S

R

T

K

K

V

G

P

P

R

-

V

-

I

V

L

L

I

L

D

E

T

V

E

E

A

V

E

D

S
x
K

S

K

L

V

G

P

V

V

-

L

-

P

-

M

-

V

-

A

G

G

A

S

W

G

W

L

D

D

V

E

A

F

V

I

-

N

-

F

-

D

P

P

E

E

V

V

active site: Y30 (≠ H38), G32 (vs. gap), G33 (= G39), A34 (≠ N40), I35 (≠ V41), E56 (= E63), T79 (= T86), F118 (= F133), Q119 (≠ D134), E120 (≠ D135), K168 (≠ Q186), R228 (≠ Q245), M264 (≠ V281), V291 (≠ T308), V407 (≠ A414), L432 (≠ Y438), G433 (≠ S439), M435 (= M441), D460 (= D466), N487 (= N493), E489 (≠ G495), Q490 (≠ Y496), M492 (≠ C498), V493 (≠ I499), W496 (≠ L502), L518 (≠ H531), G523 (= G536), L524 (≠ A537), K557 (≠ S572)
binding methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate: G33 (= G39), V108 (≠ R122), P109 (= P123), F118 (= F133), K168 (≠ Q186), M264 (≠ V281), D289 (= D306), R290 (≠ F307), M492 (≠ C498), V493 (≠ I499), W496 (≠ L502)
binding flavin-adenine dinucleotide: R158 (≠ Q176), G217 (= G235), A218 (≠ G236), G219 (= G237), N222 (vs. gap), T244 (= T261), L245 (≠ Q262), Q246 (≠ A263), L262 (≠ P279), M264 (≠ V281), H265 (≠ T282), G284 (= G301), A285 (≠ T302), R286 (= R303), D288 (≠ Q305), R290 (≠ F307), V291 (≠ T308), E317 (≠ A337), V318 (= V338), N322 (≠ A342), G335 (≠ L355), D336 (≠ E356), A337 (≠ G357), Q411 (≠ T416), M412 (= M417), G430 (≠ Y436), G431 (= G437)
binding magnesium ion: D460 (= D466), N487 (= N493), E489 (≠ G495)
binding propyl trihydrogen diphosphate: V407 (≠ A414), G408 (= G415), Q409 (vs. gap), H410 (vs. gap), M435 (= M441), G459 (= G465), D460 (= D466), A461 (≠ G467), S462 (= S468), N487 (= N493), E489 (≠ G495), Q490 (≠ Y496), G491 (= G497), M492 (≠ C498)
binding 5-{[ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine: G433 (≠ S439), M435 (= M441), M465 (= M471)

1t9bB Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron (see paper)
26% identity, 91% coverage: 30:588/612 of query aligns to 21:579/595 of 1t9bB

query
sites
1t9bB

E

Q

G

N

V

V

W

D

A

T

I

V

F

F

G

G

H
x
Y

-

P

-
x
G

G
|
G

N
x
A

V
x
I

A

L

G

P

I

V

G

Y

E

D

A

A

L

I

-

H

-

N

-

S

E

D

K

K

I

F

G

N

D

F

A

V

L

L

P

P

T

-

W

-

R

-

G

-

Q

K

N

H

E
|
E

Q

Q

T

G

M

A

A

G

H

H

A

M

A

A

I

E

A

G

Y

Y

A

A

K

R

T

A

K

S

R

G

R

K

R

P

K

G

A

V

M

V

A

L

V

V

T
|
T

S

S

S

-

I

-

G

G

P

P

G

G

A

A

T

T

N

N

M

V

V

V

T

T

A

P

A

M

A

A

L

D

A

A

H

F

V

A

N

D

R

G

L

I

P

P

V

M

L

V

L

-

I

-

P

-

G

-

D

-

V

V

F

F

A

T

N

G

R

Q

R
x
V

P
|
P

D

T

P

S

V

A

L

I

Q

G

Q

-

I

T

E

D

D

A

F
|
F

D
x
Q

D
x
E

G

A

T

D

V

V

S

V

A

G

N

-

D

-

C

I

F

S

R

R

P

S

V

C

S

T

R

K

Y

W

F

N

D

V

R

M

I

V

T

K

R

S

P

V

E

E

H

E

L

L

L

P

T

L

A

R

L

I

P

N

R

E

A

A

L

F

Q

E

V

I

M

A

T

T

D

S

P

-

A

G

Q
x
R

C

P

G

G

P

P

V

V

T

L

L

V

A

D

F

L

C

P

Q
x
K

D

D

V

V

Q

T

A

A

E

A

A

I

Y

L

D

R

W

N

P

P

E

-

A

-

F

-

F

I

A

P

P

T

K

K

V

T

W

T

H

L

I

P

R

S

R

R

P

A

E

Q

P

D

D

E

-

F

-

V

R

M

R

Q

E

S

L

I

A

N

A

K

V

A

I

A

E

D

M

L

I

I

R

N

A

L

A

A

Q

K

K

K

P

P

V

V

I

L

V

Y

S

V

G
|
G

G
x
A

G
|
G

V

I

L

L

-
x
N

Y

H

S

A

G

D

A

G

D

P

Q
x
R

D

L

L

L

A

K

A

E

F

L

A

S

E

D

K

R

H

A

N

Q

I

I

P

P

V

V

V

T

E

T

T
|
T

Q
x
L

A
x
Q

G

G

K

L

G

G

A

S

L

F

D

D

W

Q

Q

E

H

D

P

P

L

K

N

S

F

L

G

D

S
x
M

P
x
L

G

G

V
x
M

T
x
H

G

G

S

C

D

A

C

T

A

A

N

N

R

L

I

A

C

V

A

Q

E

N

A

A

D

D

L

L

I

I

G

A

A

V

G
|
G

T
x
A

R
|
R

F

F

Q
x
D

D
|
D

F
x
R

T
x
V

T

T

G

G

S

N

W

I

A

S

A

K

F

F

R

-

N

-

P

-

Q

A

R

P

K

E

L

A

V

R

S

R

V

A

N

A

L

A

T

E

G

G

Y

R

D

G

A

G

A

I

K

I

H

H

S

F

A
x
E

V
|
V

P

S

L

P

V

K

A
x
N

D

I

A

N

K

K

I

V

A

V

L

Q

T

T

A

Q

I

I

T

A

A

V

G

E

L
x
G

E
x
D

G
x
A

H

T

R

T

F

N

A

L

G

G

P

K

D

M

A

M

S

S

L

K

-

I

-

F

-

P

-

V

-

K

-

E

R

R

T

S

A

E

W

W

F

F

K

A

A

Q

A

I

D

N

R

K

V

W

M

K

A

K

-

E

-

Y

-

P

-

Y

A

A

P

Y

Q

M

G

E

E

E

N

T

P

P

N

G

D

S

L

K

P

I

T

K

D

P

A

Q

Q

T

V

V

V

I

G

K

A

K

V

L

Q

S

R

K

Y

V

A

A

-

N

-

D

-

T

G

G

A

R

D

H

T

V

V

I

V

V

M

T

C

T

A

G

A
x
V

G

G

-

Q

-

H

T
x
Q

M
|
M

P

W

G

A

A

A

L

Q

Q

H

V

W

L

T

W

W

R

R

A

-

A

N

P

P

G

H

G

T

Y

F

H

I

M

T

E

S

Y
x
G

G
|
G

Y
x
L

S
x
G

C

T

M
|
M

G

G

Y

Y

E

G

V

L

A

P

G

A

A

A

M

I

G

G

I

A

A

Q

L

V

A

A

V

K

P

P

E

E

K

S

E

L

V

V

I

I

C

D

F

I

V

D

G

G

D
|
D

G

A

S

S

Y

F

M

N

M

M

A

T

N

L

S

T

E

E

L

L

A

S

T

S

A

A

A

V

M

Q

M

A

H

G

V

T

P

P

F

V

T

K

I

I

V

L

L

I

T

L

D

N

N
|
N

R

E

G
x
E

Y
x
Q

G

G

C
x
M

I
x
V

N

T

R

Q

L
x
W

Q

Q

I

-

E

-

C

-

G

-

A

S

P

L

F

F

N

Y

N

E

M

H

Y

R

V

Y

D

S

S

H

R

T

H

H

K

Q

T

L

F

N

P

P

E

-

I

-

D

D

F

F

V

I

A

K

H
x
L

A

A

R

E

A

A

M

M

G
|
G

A
x
L

E

K

A

G

V

L

K

R

V

V

A

K

G

K

I

Q

A

E

G

E

L

L

E

D

A

A

E

K

L

L

A

K

R

E

P

F

R

V

D

S

R

T

K

K

V

G

P

P

R

-

V

-

I

V

L

L

I

L

D

E

T

V

E

E

A

V

E

D

S
x
K

S

K

L

V

G

P

V

V

-

L

-

P

-

M

-

V

-

A

G

G

A

S

W

G

W

L

D

D

V

E

A

F

V

I

-

N

-

F

-

D

P

P

E

E

V

V

active site: Y29 (≠ H38), G31 (vs. gap), G32 (= G39), A33 (≠ N40), I34 (≠ V41), E55 (= E63), T78 (= T86), F117 (= F133), Q118 (≠ D134), E119 (≠ D135), K167 (≠ Q186), R226 (≠ Q245), M262 (≠ V281), V289 (≠ T308), V405 (≠ A414), L430 (≠ Y438), G431 (≠ S439), M433 (= M441), D458 (= D466), N485 (= N493), E487 (≠ G495), Q488 (≠ Y496), M490 (≠ C498), V491 (≠ I499), W494 (≠ L502), L516 (≠ H531), G521 (= G536), L522 (≠ A537), K555 (≠ S572)
binding 1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea: V107 (≠ R122), P108 (= P123), D287 (= D306), R288 (≠ F307), M490 (≠ C498), W494 (≠ L502)
binding flavin-adenine dinucleotide: R157 (≠ Q176), G215 (= G235), A216 (≠ G236), G217 (= G237), N220 (vs. gap), T242 (= T261), L243 (≠ Q262), Q244 (≠ A263), M259 (≠ S278), L260 (≠ P279), M262 (≠ V281), H263 (≠ T282), G282 (= G301), A283 (≠ T302), R284 (= R303), D286 (≠ Q305), R288 (≠ F307), V289 (≠ T308), E315 (≠ A337), V316 (= V338), N320 (≠ A342), G333 (≠ L355), D334 (≠ E356), A335 (≠ G357), Q409 (≠ T416), M410 (= M417), G428 (≠ Y436), G429 (= G437)
binding magnesium ion: D458 (= D466), N485 (= N493), E487 (≠ G495)

1t9cA Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, sulfometuron methyl (see paper)
26% identity, 91% coverage: 30:588/612 of query aligns to 21:580/596 of 1t9cA

query
sites
1t9cA

E

Q

G

N

V

V

W

D

A

T

I

V

F

F

G

G

H
x
Y

-

P

-
x
G

G
|
G

N
x
A

V
x
I

A

L

G

P

I

V

G

Y

E

D

A

A

L

I

-

H

-

N

-

S

E

D

K

K

I

F

G

N

D

F

A

V

L

L

P

P

T

-

W

-

R

-

G

-

Q

K

N

H

E
|
E

Q

Q

T

G

M

A

A

G

H

H

A

M

A

A

I

E

A

G

Y

Y

A

A

K

R

T

A

K

S

R

G

R

K

R

P

K

G

A

V

M

V

A

L

V

V

T
|
T

S

S

S

-

I

-

G

G

P

P

G

G

A

A

T

T

N

N

M

V

V

V

T

T

A

P

A

M

A

A

L

D

A

A

H

F

V

A

N

D

R

G

L

I

P

P

V

M

L

V

L

-

I

-

P

-

G

-

D

-

V

V

F

F

A

T

N

G

R

Q

R
x
V

P
|
P

D

T

P

S

V

A

L

I

Q

G

Q

-

I

T

E

D

D

A

F
|
F

D
x
Q

D
x
E

G

A

T

D

V

V

S

V

A

G

N

-

D

-

C

I

F

S

R

R

P

S

V

C

S

T

R

K

Y

W

F

N

D

V

R

M

I

V

T

K

R

S

P

V

E

E

H

E

L

L

L

P

T

L

A

R

L

I

P

N

R

E

A

A

L

F

Q

E

V

I

M

A

T

T

D

S

P

-

A

G

Q
x
R

C

P

G

G

P

P

V

V

T

L

L

V

A

D

F

L

C

P

Q
x
K

D

D

V

V

Q

T

A

A

E

A

A

I

Y

L

D

R

W

N

P

P

E

I

A

P

F

T

F

K

A

T

P

T

K

L

V

P

W

S

H

S

I

R

R

A

R

Q

P

D

E

E

P

F

D

V

R

M

R

Q

E

S

L

I

A

N

A

K

V

A

I

A

E

D

M

L

I

I

R

N

A

L

A

A

Q

K

K

K

P

P

V

V

I

L

V

Y

S

V

G
|
G

G
x
A

G
|
G

V

I

L

L

-
x
N

Y

H

S

A

G

D

A

G

D

P

Q
x
R

D

L

L

L

A

K

A

E

F

L

A

S

E

D

K

R

H

A

N

Q

I

I

P

P

V

V

V

T

E

T

T
|
T

Q
x
L

A
x
Q

G

G

K

L

G

G

A

S

L

F

D

D

W

Q

Q

E

H

D

P

P

L

K

N

S

F

L

G

D

S

M

P
x
L

G

G

V
x
M

T
x
H

G

G

S

C

D

A

C

T

A

A

N

N

R

L

I

A

C

V

A

Q

E

N

A

A

D

D

L

L

I

I

G

A

A

V

G
|
G

T
x
A

R
|
R

F

F

Q
x
D

D
|
D

F
x
R

T
x
V

T

T

G

G

S

N

W

I

A

S

A

K

F

F

R

-

N

-

P

-

Q

A

R

P

K

E

L

A

V

R

S

R

V

A

N

A

L

A

T

E

G

G

Y

R

D

G

A

G

A

I

K

I

H

H

S

F

A
x
E

V
|
V

P

S

L

P

V

K

A
x
N

D

I

A

N

K

K

I

V

A

V

L

Q

T

T

A

Q

I

I

T

A

A

V

G

E

L
x
G

E
x
D

G
x
A

H

T

R

T

F

N

A

L

G

G

P

K

D

M

A

M

S

S

L

K

-

I

-

F

-

P

-

V

-

K

-

E

R

R

T

S

A

E

W

W

F

F

K

A

A

Q

A

I

D

N

R

K

V

W

M

K

A

K

-

E

-

Y

-

P

-

Y

A

A

P

Y

Q

M

G

E

E

E

N

T

P

P

N

G

D

S

L

K

P

I

T

K

D

P

A

Q

Q

T

V

V

V

I

G

K

A

K

V

L

Q

S

R

K

Y

V

A

A

-

N

-

D

-

T

G

G

A

R

D

H

T

V

V

I

V

V

M

T

C

T

A

G

A
x
V

G

G

-

Q

-

H

T

Q

M
|
M

P

W

G

A

A

A

L

Q

Q

H

V

W

L

T

W

W

R

R

A

-

A

N

P

P

G

H

G

T

Y

F

H

I

M

T

E

S

Y
x
G

G
|
G

Y
x
L

S
x
G

C

T

M
|
M

G

G

Y

Y

E

G

V

L

A

P

G

A

A

A

M

I

G

G

I

A

A

Q

L

V

A

A

V

K

P

P

E

E

K

S

E

L

V

V

I

I

C

D

F

I

V

D

G

G

D
|
D

G

A

S

S

Y

F

M

N

M

M

A

T

N

L

S

T

E

E

L

L

A

S

T

S

A

A

A

V

M

Q

M

A

H

G

V

T

P

P

F

V

T

K

I

I

V

L

L

I

T

L

D

N

N
|
N

R

E

G
x
E

Y
x
Q

G

G

C
x
M

I
x
V

N

T

R

Q

L
x
W

Q

Q

I

-

E

-

C

-

G

-

A

S

P

L

F

F

N

Y

N

E

M

H

Y

R

V

Y

D

S

S

H

R

T

H

H

K

Q

T

L

F

N

P

P

E

-

I

-

D

D

F

F

V

I

A

K

H
x
L

A

A

R

E

A

A

M

M

G
|
G

A
x
L

E

K

A

G

V

L

K

R

V

V

A

K

G

K

I

Q

A

E

G

E

L

L

E

D

A

A

E

K

L

L

A

K

R

E

P

F

R

V

D

S

R

T

K

K

V

G

P

P

R

-

V

-

I

V

L

L

I

L

D

E

T

V

E

E

A

V

E

D

S
x
K

S

K

L

V

G

P

V

V

-

L

-

P

-

M

-

V

-

A

G

G

A

S

W

G

W

L

D

D

V

E

A

F

V

I

-

N

-

F

-

D

P

P

E

E

V

V

active site: Y29 (≠ H38), G31 (vs. gap), G32 (= G39), A33 (≠ N40), I34 (≠ V41), E55 (= E63), T78 (= T86), F117 (= F133), Q118 (≠ D134), E119 (≠ D135), K167 (≠ Q186), R227 (≠ Q245), M263 (≠ V281), V290 (≠ T308), V406 (≠ A414), L431 (≠ Y438), G432 (≠ S439), M434 (= M441), D459 (= D466), N486 (= N493), E488 (≠ G495), Q489 (≠ Y496), M491 (≠ C498), V492 (≠ I499), W495 (≠ L502), L517 (≠ H531), G522 (= G536), L523 (≠ A537), K556 (≠ S572)
binding methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: G32 (= G39), V107 (≠ R122), P108 (= P123), F117 (= F133), K167 (≠ Q186), D288 (= D306), R289 (≠ F307), W495 (≠ L502)
binding flavin-adenine dinucleotide: R157 (≠ Q176), G216 (= G235), A217 (≠ G236), G218 (= G237), N221 (vs. gap), T243 (= T261), L244 (≠ Q262), Q245 (≠ A263), L261 (≠ P279), M263 (≠ V281), H264 (≠ T282), G283 (= G301), A284 (≠ T302), R285 (= R303), D287 (≠ Q305), R289 (≠ F307), V290 (≠ T308), E316 (≠ A337), V317 (= V338), N321 (≠ A342), G334 (≠ L355), D335 (≠ E356), A336 (≠ G357), M411 (= M417), G429 (≠ Y436), G430 (= G437)
binding magnesium ion: D459 (= D466), N486 (= N493), E488 (≠ G495)

1n0hA Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorimuron ethyl (see paper)
25% identity, 91% coverage: 30:588/612 of query aligns to 23:583/599 of 1n0hA

query
sites
1n0hA

E

Q

G

N

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F

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A

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L

L

I

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D

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T

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A

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D

S
x
K

S

K

L

V

G

P

V

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L

-

P

-

M

-

V

-

A

G

G

A

S

W

G

W

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D

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P

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V

active site: Y31 (≠ H38), G33 (vs. gap), G34 (= G39), A35 (≠ N40), I36 (≠ V41), E57 (= E63), T80 (= T86), F119 (= F133), Q120 (≠ D134), E121 (≠ D135), K169 (≠ Q186), R230 (≠ Q245), M266 (≠ V281), V293 (≠ T308), V409 (≠ A414), L434 (≠ Y438), G435 (≠ S439), M437 (= M441), D462 (= D466), N489 (= N493), E491 (≠ G495), Q492 (≠ Y496), M494 (≠ C498), V495 (≠ I499), W498 (≠ L502), L520 (≠ H531), G525 (= G536), L526 (≠ A537), K559 (≠ S572)
binding 4-{[(4'-amino-2'-methylpyrimidin-5'-yl)methyl]amino}pent-3-enyl diphosphate: V409 (≠ A414), G410 (= G415), Q411 (vs. gap), H412 (vs. gap), G435 (≠ S439), M437 (= M441), G461 (= G465), D462 (= D466), A463 (≠ G467), S464 (= S468), M467 (= M471), N489 (= N493), E491 (≠ G495), Q492 (≠ Y496), G493 (= G497), V495 (≠ I499)
binding 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester: G34 (= G39), A35 (≠ N40), V109 (≠ R122), P110 (= P123), F119 (= F133), K169 (≠ Q186), M266 (≠ V281), D291 (= D306), R292 (≠ F307), V495 (≠ I499), W498 (≠ L502)
binding flavin-adenine dinucleotide: R159 (≠ Q176), G219 (= G235), A220 (≠ G236), G221 (= G237), N224 (vs. gap), T246 (= T261), L247 (≠ Q262), Q248 (≠ A263), L264 (≠ P279), G265 (= G280), M266 (≠ V281), H267 (≠ T282), G286 (= G301), A287 (≠ T302), R288 (= R303), D290 (≠ Q305), R292 (≠ F307), V293 (≠ T308), E319 (≠ A337), V320 (= V338), N324 (≠ A342), G337 (≠ L355), D338 (≠ E356), A339 (≠ G357), M414 (= M417), G432 (≠ Y436), G433 (= G437)
binding magnesium ion: D462 (= D466), N489 (= N493), E491 (≠ G495)
binding thiamine diphosphate: Y31 (≠ H38), E57 (= E63), P83 (= P91)

8rphD Thiamine pyrophosphate-binding protein (see paper)
25% identity, 86% coverage: 29:554/612 of query aligns to 19:542/608 of 8rphD

query
sites
8rphD

I

I

E

Q

G

H

V

A

W

F

A

G

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x
I

G

G

H

A

G

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N

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L

G

F

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E

A

A

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R

K

binding (2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-2-yl]-2-oxidanyl-butanoic acid: I26 (≠ F36), E51 (= E63), G405 (= G415), T406 (= T416), G430 (≠ S439), M432 (= M441), C456 (≠ G465), G458 (= G467), G459 (≠ S468), N484 (= N493), G486 (= G495), Y487 (= Y496), L488 (≠ G497), M489 (≠ C498), I490 (= I499)
binding flavin-adenine dinucleotide: R159 (≠ Q176), G219 (= G235), N220 (≠ G236), G221 (= G237), S245 (≠ T261), W246 (≠ Q262), A247 (= A263), A263 (≠ P279), G264 (= G280), Y266 (≠ T282), G285 (= G301), T286 (= T302), R287 (= R303), P291 (≠ F307), Q292 (≠ T308), D310 (≠ N326), I311 (≠ L327), D330 (= D343), A331 (= A344), T427 (≠ Y436)
binding magnesium ion: D457 (= D466), N484 (= N493), G486 (= G495)

8rpjA Janthe from janthinobacterium sp. Hh01 (see paper)
25% identity, 86% coverage: 29:554/612 of query aligns to 19:542/605 of 8rpjA

query
sites
8rpjA

I

I

E

Q

G

H

V

A

W

F

A

G

I

I

F
x
I

G

G

H

A

G

G

N

N

V

V

A

H

G

-

I

L

G

F

E

E

A

A

L

I

E

A

K

R

I

R

G

G

D

Y

A

T

L

E

P

I

T

V

W

C

R

V

G

-

Q

H

N

H

E
|
E

Q

Q

T

A

M

A

A

C

H

M

A

A

A

V

I

Q

A

T

Y

Y

A

Y

K

R

T

T

K

N

R

G

R

R

R

I

K

A

A

A

M

A

A

L

V

L

T

T

S

T

S

-

I

-

G

G

P

A

G

G

A

S

T

T

N

N

M

G

V

V

T

T

A

G

A

V

L

S

A

A

H

W

V

A

N

D

R

S

L

I

P

P

V

C

L

I

L

V

I

I

P

A

G

G

D

N

V

E

F

N

A

S

N

K

R

F

R

T

-

F

P

P

D

E

P

N

V

P

L

L

Q

R

Q

M

-

W

-

G

I

V

E

Q

D

G

F

Y

D

D

D

S

G

C

T

Q

V

M

S

V

A

E

N

R

D

-

C

-

F

-

R

-

P

-

V

V

S

S

R

K

Y

Y

F

Q

D

M

R

R

I

V

T

T

R

K

P

M

E

E

H

R

L

A

L

V

T

Y

A

E

L

L

P

E

R

K

A

G

L

V

Q

H

V

L

M

A

T

L

D

E

P

-

A

G

Q
x
R

C

P

G

G

P

P

V

T

T

W

L

I

A

E

F

I

C

P

Q

M

D

D

V

I

Q

Q

A

S

E

G

A

R

Y

I

D

D

-

P

-

A

W

T

P

L

E

E

A

H

F

Y

F

V

A

A

P

P

K

-

V

-

W

-

H

-

I

-

R

-

P

P

E

A

P

P

D

D

R

Y

R

L

-

T

-

P

-

A

-

V

-

A

E

Q

L

V

A

D

A

S

V

V

I

L

E

A

M

A

I

L

R

A

A

K

A

A

Q

E

K

R

P

P

V

V

I

L

V

W

S

L

G
|
G

G
x
N

G
|
G

V

I

L

R

Y

L

S
x
A

G

G

A

G

D

E

Q

R

D

L

L

L

A

K

A

P

F

L

A

L

E

E

K

K

H

L

N

G

I

S

P

P

V

A

V

L

E

V

T
x
S

Q
x
W

A
|
A

G

G

K

I

G

D

A

M

L

L

D

D

W

S

Q

S

H

H

P

P

L

L

N

V

F

F

G

G

S

R

P
x
A

G
|
G

V

V

T
x
Y

G

G

S

Q

D

R

C

A

A

A

N

N

R

F

I

I

C

L

A

Q

E

N

A

S

D

D

L

Y

I

V

I

L

G

A

A

I

G
|
G

T
|
T

R
|
R

F

L

Q

A

D

I

F
x
P

T
x
Q

T

I

G

G

S

Y

W

D

A

L

A

N

F

E

R

L

N

A

P

R

Q

L

R

A

K

R

L

I

V

D

S

V

V

V

N
x
D

L
x
I

T

D

G

G

Y

D

D

E

A

A

A

I

K

K

H

H

-

A

-

K

-

R

S

T

A

Q

V

E

P

N

L

I

V

V

A

C

D
|
D

A
|
A

K

R

I

V

A

F

L

I

T

E

A

A

I

L

T

L

A

A

G

R

L

L

E

N

G

A

H

A

R

D

F

-

A

-

G

A

P

P

D

A

A

I

S

A

L

S

R

K

T

A

A

D

W

W

F

V

-

A

-

K

-

C

K

R

A

A

A

Y

D

E

R

E

V

Q

M

F

-

P

-

W

A

V

A

G

P

A

Q

E

G

H

E

A

N

D

P

P

N

E

D

G

L

F

P

I

T

N

D

S

A

Y

Q

R

V

F

V

M

G

E

A

R

V

L

Q

N

R

G

Y

F

A

F

G

K

A

D

D

D

T

Q

V

V

M

V

C

T

A

D

A

M

G
|
G

T
|
T

-

A

M

L

P

L

G

S

A

G

L

H

Q

Q

V

V

L

L

W

R

R

F

A

K

A

E

P

G

G

Q

G

R

Y

F

H

M

M

T

E

S

Y
x
T

G

G

Y

L

S

G

C

E

M
|
M

G

G

Y

Y

E

G

V

L

A

P

G

A

A

A

M

L

G

G

I

V

A

S

L

F

A

A

V

N

P

D

E

R

K

G

E

E

V

V

I

M

C

C

F

L

V

N

G
x
C

D
|
D

G
|
G

S
x
G

Y

M

M

M

A

N

N

L

S

Q

E

E

L

L

A

Q

T

T

A

M

A

V

M

H

H

N

V

L

P

P

F

I

T

K

I

L

V

F

L

I

T

F

D

N

N
|
N

R

D

G
|
G

Y
|
Y

G
x
L

C
x
M

I
|
I

N

K

R

H

L

T

Q

Q

I

-

E

-

C

-

G

-

G

K

A

S

P

L

F

F

N

K

N

S

M

D

Y

Y

V

V

D

G

S

T

R

D

H

R

K

K

T

S

F

G

P

V

E

S

I

C

-

P

D

D

F

F

V

S

A

R

H

L

A

A

R

A

A

A

M

F

G

D

A

I

E

P

A

A

V

Y

K

Q

V

I

A

R

G

G

I

W

A

D

G

E

L

C

E

D

A

A

E

T

L

L

A

A

R

K

binding flavin-adenine dinucleotide: R159 (≠ Q176), G219 (= G235), N220 (≠ G236), G221 (= G237), A225 (≠ S241), S245 (≠ T261), W246 (≠ Q262), A247 (= A263), A263 (≠ P279), G264 (= G280), Y266 (≠ T282), G285 (= G301), T286 (= T302), R287 (= R303), P291 (≠ F307), Q292 (≠ T308), D310 (≠ N326), I311 (≠ L327), D330 (= D343), A331 (= A344), T427 (≠ Y436)
binding magnesium ion: D457 (= D466), N484 (= N493), G486 (= G495)
binding thiamine diphosphate: I26 (≠ F36), E51 (= E63), G405 (= G415), T406 (= T416), M432 (= M441), C456 (≠ G465), G458 (= G467), G459 (≠ S468), N484 (= N493), G486 (= G495), Y487 (= Y496), L488 (≠ G497), M489 (≠ C498), I490 (= I499)

8rpiA Janthe from janthinobacterium sp. Hh01, lactyl-thdp (see paper)
25% identity, 86% coverage: 29:554/612 of query aligns to 19:542/605 of 8rpiA

query
sites
8rpiA

I

I

E

Q

G

H

V

A

W

F

A

G

I

I

F

I

G

G

H
x
A

G

G

N

N

V

V

A

H

G

-

I

L

G

F

E

E

A

A

L

I

E

A

K

R

I

R

G

G

D

Y

A

T

L

E

P

I

T

V

W

C

R

V

G

-

Q

H

N

H

E
|
E

Q

Q

T

A

M

A

A

C

H

M

A

A

A

V

I

Q

A

T

Y

Y

A

Y

K

R

T

T

K

N

R

G

R

R

R

I

K

A

A

A

M

A

A

L

V

L

T

T

S

T

S

-

I

-

G

G

P

A

G

G

A

S

T

T

N

N

M

G

V

V

T

T

A

G

A

V

L

S

A

A

H

W

V

A

N

D

R

S

L

I

P

P

V

C

L

I

L

V

I

I

P

A

G

G

D

N

V

E

F

N

A

S

N

K

R

F

R

T

-

F

P

P

D

E

P

N

V

P

L

L

Q

R

Q

M

-

W

-

G

I

V

E

Q

D

G

F

Y

D

D

D

S

G

C

T

Q

V

M

S

V

A

E

N

R

D

-

C

-

F

-

R

-

P

-

V

V

S

S

R

K

Y

Y

F

Q

D

M

R

R

I

V

T

T

R

K

P

M

E

E

H

R

L

A

L

V

T

Y

A

E

L

L

P

E

R

K

A

G

L

V

Q

H

V

L

M

A

T

L

D

E

P

-

A

G

Q
x
R

C

P

G

G

P

P

V

T

T

W

L

I

A

E

F

I

C

P

Q

M

D

D

V

I

Q

Q

A

S

E

G

A

R

Y

I

D

D

-

P

-

A

W

T

P

L

E

E

A

H

F

Y

F

V

A

A

P

P

K

-

V

-

W

-

H

-

I

-

R

-

P

P

E

A

P

P

D

D

R

Y

R

L

-

T

-

P

-

A

-

V

-

A

E

Q

L

V

A

D

A

S

V

V

I

L

E

A

M

A

I

L

R

A

A

K

A

A

Q

E

K

R

P

P

V

V

I

L

V

W

S

L

G
|
G

G
x
N

G
|
G

V

I

L

R

Y

L

S
x
A

G

G

A

G

D

E

Q

R

D

L

L

L

A

K

A

P

F

L

A

L

E

E

K

K

H

L

N

G

I

S

P

P

V

A

V

L

E

V

T
x
S

Q
x
W

A
|
A

G

G

K

I

G

D

A

M

L

L

D

D

W

S

Q

S

H

H

P

P

L

L

N

V

F

F

G

G

S

R

P
x
A

G
|
G

V

V

T
x
Y

G

G

S

Q

D

R

C

A

A

A

N

N

R

F

I

I

C

L

A

Q

E

N

A

S

D

D

L

Y

I

V

I

L

G

A

A

I

G
|
G

T
|
T

R
|
R

F

L

Q

A

D

I

F
x
P

T
x
Q

T

I

G

G

S

Y

W

D

A

L

A

N

F

E

R

L

N

A

P

R

Q

L

R

A

K

R

L

I

V

D

S

V

V

V

N
x
D

L
x
I

T

D

G

G

Y

D

D

E

A

A

A

I

K

K

H

H

-

A

-

K

-

R

S

T

A

Q

V

E

P

N

L

I

V

V

A

C

D
|
D

A
|
A

K

R

I

V

A

F

L

I

T

E

A

A

I

L

T

L

A

A

G

R

L

L

E

N

G

A

H

A

R

D

F

-

A

-

G

A

P

P

D

A

A

I

S

A

L

S

R

K

T

A

A

D

W

W

F

V

-

A

-

K

-

C

K

R

A

A

A

Y

D

E

R

E

V

Q

M

F

-

P

-

W

A

V

A

G

P

A

Q

E

G

H

E

A

N

D

P

P

N

E

D

G

L

F

P

I

T

N

D

S

A

Y

Q

R

V

F

V

M

G

E

A

R

V

L

Q

N

R

G

Y

F

A

F

G

K

A

D

D

D

T

Q

V

V

M

V

C

T

A

D

A

M

G
|
G

T
|
T

-

A

M

L

P

L

G

S

A

G

L

H

Q

Q

V

V

L

L

W

R

R

F

A

K

A

E

P

G

G

Q

G

R

Y

F

H

M

M

T

E

S

Y
x
T

G

G

Y

L

S

G

C

E

M
|
M

G

G

Y

Y

E

G

V

L

A

P

G

A

A

A

M

L

G

G

I

V

A

S

L

F

A

A

V

N

P

D

E

R

K

G

E

E

V

V

I

M

C

C

F

L

V

N

G
x
C

D
|
D

G
|
G

S
x
G

Y

M

M

M

A

N

N

L

S

Q

E

E

L

L

A

Q

T

T

A

M

A

V

M

H

H

N

V

L

P

P

F

I

T

K

I

L

V

F

L

I

T

F

D

N

N
|
N

R

D

G
|
G

Y
|
Y

G
x
L

C
x
M

I
|
I

N

K

R

H

L

T

Q

Q

I

-

E

-

C

-

G

-

G

K

A

S

P

L

F

F

N

K

N

S

M

D

Y

Y

V

V

D

G

S

T

R

D

H

R

K

K

T

S

F

G

P

V

E

S

I

C

-

P

D

D

F

F

V

S

A

R

H

L

A

A

R

A

A

A

M

F

G

D

A

I

E

P

A

A

V

Y

K

Q

V

I

A

R

G

G

I

W

A

D

G

E

L

C

E

D

A

A

E

T

L

L

A

A

R

K

binding flavin-adenine dinucleotide: R159 (≠ Q176), G219 (= G235), N220 (≠ G236), G221 (= G237), A225 (≠ S241), S245 (≠ T261), W246 (≠ Q262), A247 (= A263), A263 (≠ P279), G264 (= G280), Y266 (≠ T282), G285 (= G301), T286 (= T302), R287 (= R303), P291 (≠ F307), Q292 (≠ T308), D310 (≠ N326), I311 (≠ L327), D330 (= D343), A331 (= A344), T427 (≠ Y436)
binding magnesium ion: D457 (= D466), N484 (= N493), G486 (= G495)
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: A28 (≠ H38), E51 (= E63), G405 (= G415), T406 (= T416), M432 (= M441), C456 (≠ G465), G458 (= G467), G459 (≠ S468), N484 (= N493), G486 (= G495), Y487 (= Y496), L488 (≠ G497), M489 (≠ C498), I490 (= I499)

6u9dB Saccharomyces cerevisiae acetohydroxyacid synthase (see paper)
25% identity, 91% coverage: 30:588/612 of query aligns to 25:591/607 of 6u9dB

query
sites
6u9dB

E

Q

G

N

V

V

W

D

A

T

I

V

F

F

G

G

H
x
Y

-

P

-
x
G

G
|
G

N
x
A

V
x
I

A

L

G

P

I

V

G

Y

E

D

A

A

L

I

-

H

-

N

-

S

E

D

K

K

I

F

G

N

D

F

A

V

L

L

P

P

T

-

W

-

R

-

G

-

Q

K

N

H

E
|
E

Q

Q

T

G

M

A

A

G

H

H

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-

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V

active site: Y33 (≠ H38), G35 (vs. gap), G36 (= G39), A37 (≠ N40), I38 (≠ V41), E59 (= E63), T82 (= T86), F121 (= F133), Q122 (≠ D134), E123 (≠ D135), K171 (≠ Q186), M274 (≠ V281), V301 (≠ T308), V417 (≠ A414), G443 (≠ S439), M445 (= M441), D470 (= D466), N497 (= N493), E499 (≠ G495), Q500 (≠ Y496), M502 (≠ C498), V503 (≠ I499), W506 (≠ L502)
binding methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate: G36 (= G39), V111 (≠ R122), P112 (= P123), F121 (= F133), K171 (≠ Q186), D299 (= D306), R300 (≠ F307), M502 (≠ C498), W506 (≠ L502)
binding flavin-adenine dinucleotide: R161 (≠ Q176), A228 (≠ G236), G229 (= G237), N232 (vs. gap), T254 (= T261), L255 (≠ Q262), Q256 (≠ A263), L272 (≠ P279), M274 (≠ V281), G294 (= G301), R296 (= R303), D298 (≠ Q305), R300 (≠ F307), V301 (≠ T308), E327 (≠ A337), V328 (= V338), N332 (≠ A342), D346 (≠ E356), A347 (≠ G357), M422 (= M417), G440 (≠ Y436), G441 (= G437)
binding magnesium ion: D470 (= D466), N497 (= N493)
binding thiamine diphosphate: E59 (= E63), P85 (= P91), V417 (≠ A414), G418 (= G415), Q419 (vs. gap), H420 (vs. gap), G443 (≠ S439), M445 (= M441), A471 (≠ G467), S472 (= S468), N497 (= N493), E499 (≠ G495), Q500 (≠ Y496), G501 (= G497), M502 (≠ C498), V503 (≠ I499)

Query Sequence

>WP_012631041.1 NCBI__GCF_000022085.1:WP_012631041.1
MMTTVRLTAAQTMMRWLSVQMTEEGERFIEGVWAIFGHGNVAGIGEALEKIGDALPTWRG
QNEQTMAHAAIAYAKTKRRRKAMAVTSSIGPGATNMVTAAALAHVNRLPVLLIPGDVFAN
RRPDPVLQQIEDFDDGTVSANDCFRPVSRYFDRITRPEHLLTALPRALQVMTDPAQCGPV
TLAFCQDVQAEAYDWPEAFFAPKVWHIRRPEPDRRELAAVIEMIRAAQKPVIVSGGGVLY
SGADQDLAAFAEKHNIPVVETQAGKGALDWQHPLNFGSPGVTGSDCANRICAEADLIIGA
GTRFQDFTTGSWAAFRNPQRKLVSVNLTGYDAAKHSAVPLVADAKIALTAITAGLEGHRF
AGPDASLRTAWFKAADRVMAAPQGENPNDLPTDAQVVGAVQRYAGADTVVMCAAGTMPGA
LQVLWRAAPGGYHMEYGYSCMGYEVAGAMGIALAVPEKEVICFVGDGSYMMANSELATAA
MMHVPFTIVLTDNRGYGCINRLQIECGGAPFNNMYVDSRHKTFPEIDFVAHARAMGAEAV
KVAGIAGLEAELARPRDRKVPRVILIDTEAESSLGVGGAWWDVAVPEVGTTEALRAARER
YDSHAAFQRTFD

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