SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_010966446.1 NCBI__GCF_000008765.1:WP_010966446.1 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)

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)
46% identity, 99% coverage: 5:551/554 of query aligns to 93:655/664 of P09114

query
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P09114

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P191 (≠ A103) mutation to A: In S4-Hra; highly resistant to sulfonylurea herbicides; when associated with L-568.
W568 (= W471) mutation to L: In S4-Hra; highly resistant to sulfonylurea herbicides; when associated with A-191.

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)
45% identity, 99% coverage: 5:551/554 of query aligns to 96:658/667 of P09342

query
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P09342

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C161 (= C70) modified: Disulfide link with 307
P194 (≠ A103) mutation to Q: In C3; highly resistant to sulfonylurea herbicides.
C307 (= C210) modified: Disulfide link with 161

8et4A Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with amidosulfuron (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 14:576/582 of 8et4A

query
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8et4A

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Q

-

L

-

A

-

I

-

P

E

N

C

W

E

E

Y

Q

E

A

P

M

R

R

K

L

P

P

E

G

K

Y

I

M

E

S

K

R

-

M

-

P

S

K

S

P

V

P

R

E

D

D

A

S

E

H

V

L

E

E

G

Q

A

I

I

V

E

R

L

L

L

I

L

S

E

E

S

S

K

K

R

K

P

P

V

V

I

L

I

Y

V

V

G
|
G

C

C

N

-

I

-

S

L

E

N

A

S

S

S

K

D

E

E

L

L

K

G

I

R

L

F

Q

V

E

E

K

L

L

T

K

G

C

I

P

P

V

V

C

A

S

S

T
|
T

M
x
L

M
|
M

G

G

L

L

G

G

A

S

F

Y

S

P

G

C

K

D

D

D

D

E

M

L

F

S

T

L

G

H

M

M

V
x
L

G

G

M
|
M

H
|
H

G

G

T

T

K

V

A

Y

S

A

N

N

K

Y

S

A

I

V

C

E

E

H

S

S

D

D

L

L

V

L

I

L

A

A

I

F

G
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G

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x
V

R
|
R

F

F

S
x
D

D

D

R
|
R

V
|
V

T

T

S

G

N

K

A

L

D

E

T

A

F

F

A

A

K

S

N

R

A

A

K

K

I

I

L

V

H

H

I

I

D
|
D

I
|
I

D

D

E

S

A

A

E

E

V

I

S

G

K

K

N

N

I

K

K

T

A

P

D

H

S

V

F

S

I

V

I

C

G

G

D
|
D

V
|
V

E

K

E

L

V

A

L

L

K

Q

K

G

V

M

N

N

E

K

K

V

L

L

T

E

A

N

R

R

E

A

G

E

N

E

E

L

W

K

T

L

E

D

Y

F

A

G

L

V

G

W

L

R

-

N

-

E

-

L

-

N

L

V

K

Q

K

K

D

Q

K

K

S

F

K

P

V

L

L

S

R
x
F

I

K

N

T

K

F

C

G

D

E

S

A

V

I

N

P

P

P

V

Q

Y

Y

V

A

I

I

K

K

K

V

L

L

Y

D

E

E

L

L

T

T

D

D

G

G

E

K

A

A

I

I

T

S

T

T

E

G

V
|
V

G
|
G

Q
|
Q

N
x
H

Q

Q

I
x
M

W

W

A

A

T

A

Q

Q

G

F

Y

Y

I

N

Y

Y

T

K

K

K

P

P

R

R

S

Q

F

W

I

L

T

S

S

S

G
|
G

G

G

L

L

G
|
G

T

A

M
|
M

G

G

Y

F

G

G

F

L

G

P

A

A

I

I

G

G

A

A

S

S

V

V

G

A

K

N

-

P

D

D

K

A

M

I

T

V

F

V

D

D

I

I

A

D

G
|
G

D
|
D

G
|
G

S
|
S

F

F

R

I

M
|
M

N

N

I

V

N
x
Q

E

E

L

L

A

A

T

T

V

I

V

R

R

V

Y

E

K

N

L

L

P

P

V

V

K

K

I

V

I

L

V

L

L

L

N

N

N
|
N

N

Q

V
x
H

L
|
L

G
|
G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

N

D

L

R

F

F

Y

Y

K

K

K

A

R

N

Y

R

S

A

S

H

T

T

T

F

L

L

-

G

-

D

-

P

-

A

E

Q

R

E

D

D

T

E

D

I

F

F

V

P

K

N

I

M

A

L

E

L

G

F

Y

A

G

A

A

A

L

C

G

G

L

I

-

P

-

A

R

R

V

V

D

T

T

K

N
x
K

A

A

G

D

V

L

E

R

S

E

A

A

L

I

K

Q

K

T

A

M

I

L

D

D

Y

T

D

P

G

G

P

P

V

Y

V

L

I

L

D

D

F

V

T

I

V

C

G

P

E

H

D

Q

E

E

M

H

A

V

T

L

P

P

I

M

V

I

P

P

P
x
S

G

G

A

G

D

T

I

F

E

N

N

D

M

V

V

I

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: V400 (= V383), G401 (= G384), Q402 (= Q385), H403 (≠ N386), G426 (= G409), M428 (= M411), G452 (= G434), D453 (= D435), G454 (= G436), S455 (= S437), M458 (= M440), N480 (= N462), H482 (≠ V464), L483 (= L465), G484 (= G466), M485 (= M467), V486 (= V468)
binding flavin-adenine dinucleotide: R161 (= R152), G222 (= G207), G223 (= G208), G224 (= G209), T246 (= T233), L247 (≠ M234), M248 (= M235), L264 (≠ V251), M266 (= M253), H267 (= H254), G286 (= G273), V287 (≠ C274), R288 (= R275), D290 (≠ S277), R292 (= R279), V293 (= V280), D310 (= D297), I311 (= I298), D329 (= D316), V330 (= V317), M405 (≠ I388), G423 (= G406)
binding magnesium ion: F370 (≠ R353), D453 (= D435), M458 (= M440), Q461 (≠ N443), N480 (= N462), H482 (≠ V464), K533 (≠ N508)
binding N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide: M266 (= M253), R292 (= R279), M485 (= M467), W489 (= W471), S568 (≠ P543)

5wj1A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 14:576/582 of 5wj1A

query
sites
5wj1A

G

G

S

A

R

D

I

I

I

L

L

V

E

E

C

A

L

L

K

E

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Q

G

G

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E

T

T

I

V

F

F

G

A

Y
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Y

P

P

G
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G

A
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A

V
x
S

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N

E

I

I

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A

A

L

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Y

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S

I

I

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N

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V

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H

H

E
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E

Q

Q

G

G

A

G

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A

A

D

E

G

G

Y

Y

A

A

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A

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G

G

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K

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G

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C

C

L

I

A

A

T
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T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

I

L

A

A

T

D

A

A

Y

L

M

L

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M

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E
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E

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I

I

T

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D

E

I

V

T

T

M

R

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I

I

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K

K

H

H

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Y

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M

K

D

V

V

E

E

D

D

L

I

A

P

D

R

T

I

I

I

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E

K

E

A

A

F

F

Y

F

I

L

A

A

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G

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R
|
R

P

P

G

G

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P

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L

L

I

V

D

D

I

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K

D

D

V

I

T

Q

G

Q

N

Q

-

L

-

A

-

I

-

P

E

N

C

W

E

E

Y

Q

E

A

P

M

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L

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P

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G

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Y

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-

M

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A

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E

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S

K

K

R

K

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P

V

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I

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I

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G

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C

N

-

I

-

S

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N

A

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D

E

E

L

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K

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T

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M

G

G

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L

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Y

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D

D

D

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M

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M

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x
L

G

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M

H

H

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G

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T

K

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A

Y

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A

N

N

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D

L

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R

F

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D

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V
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V

T

T

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G

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K

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A

A

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I

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D

I
|
I

D

D

E

S

A

A

E

E

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I

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G

K

K

N

N

I

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K

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A

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F

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I

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G

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D

V
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V

E

K

E

L

V

A

L

L

K

Q

K

G

V

M

N

N

E

K

K

V

L

L

T

E

A

N

R

R

E

A

G

E

N

E

E

L

W

K

T

L

E

D

Y

F

A

G

L

V

G

W

L

R

-

N

-

E

-

L

-

N

L

V

K

Q

K

K

D

Q

K

K

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F

K

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V

L

L

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I

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N

T

K

F

C

G

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E

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I

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P

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Q

Y

Y

V

A

I

I

K

K

K

V

L

L

Y

D

E

E

L

L

T

T

D

D

G

G

E

K

A

A

I

I

T

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T

T

E

G

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|
V

G
|
G

Q
|
Q

N
x
H

Q

Q

I
x
M

W

W

A

A

T

A

Q

Q

G

F

Y

Y

I

N

Y

Y

T

K

K

K

P

P

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R

S

Q

F

W

I

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T

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S

S

G
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G

L

L

G
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T

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M

G

G

Y

F

G

G

F

L

G

P

A

A

I

I

G

G

A

A

S

S

V

V

G

A

K

N

-

P

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D

K

A

M

I

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V

F

V

D

D

I

I

A

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G

G

D
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D

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G

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S

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|
M

N

N

I

V

N

Q

E

E

L

L

A

A

T

T

V

I

V

R

R

V

Y

E

K

N

L

L

P

P

V

V

K

K

I

V

I

L

V

L

L

L

N

N

N
|
N

N

Q

V
x
H

L
|
L

G
|
G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

N

D

L

R

F

F

Y

Y

K

K

K

A

R

N

Y

R

S

A

S

H

T

T

T

F

L

L

-

G

-

D

-

P

-

A

E

Q

R

E

D

D

T

E

D

I

F

F

V

P

K

N

I

M

A

L

E

L

G

F

Y

A

G

A

A

A

L

C

G

G

L

I

-

P

-

A

R

R

V

V

D

T

T

K

N

K

A

A

G

D

V

L

E

R

S

E

A

A

L

I

K

Q

K

T

A

M

I

L

D

D

Y

T

D

P

G

G

P

P

V

Y

V

L

I

L

D

D

F

V

T

I

V

C

G

P

E
x
H

D

Q

E

E

M

H

A

V

T

L

P

P

I

M

V

I

P

P

P
x
S

G

G

A

G

D

T

I

F

E

N

N

D

M

V

V

I

active site: Y33 (= Y24), G35 (= G26), G36 (= G27), A37 (= A28), S38 (≠ V29), E59 (= E50), T82 (= T73), F121 (= F112), Q122 (= Q113), E123 (= E114), K171 (= K162), M266 (= M253), V293 (= V280), V400 (= V383), G426 (= G409), M428 (= M411), D453 (= D435), N480 (= N462), H482 (≠ V464), L483 (= L465), M485 (= M467), V486 (= V468), W489 (= W471), H558 (≠ E533)
binding flavin-adenine dinucleotide: R161 (= R152), G222 (= G207), G223 (= G208), G224 (= G209), T246 (= T233), L247 (≠ M234), M248 (= M235), M263 (= M250), L264 (≠ V251), G286 (= G273), R288 (= R275), V293 (= V280), D310 (= D297), I311 (= I298), D329 (= D316), V330 (= V317), M405 (≠ I388), G423 (= G406), G424 (= G407)
binding magnesium ion: D453 (= D435), N480 (= N462), H482 (≠ V464)
binding 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide: M266 (= M253), D291 (= D278), R292 (= R279), M485 (= M467), W489 (= W471), S568 (≠ P543)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V383), G401 (= G384), Q402 (= Q385), H403 (≠ N386), M428 (= M411), D453 (= D435), G454 (= G436), S455 (= S437), M458 (= M440), N480 (= N462), H482 (≠ V464), L483 (= L465), G484 (= G466), M485 (= M467), V486 (= V468)

5k6tA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, propoxycarbazone-sodium (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 14:576/582 of 5k6tA

query
sites
5k6tA

G

G

S

A

R

D

I

I

I

L

L

V

E

E

C

A

L

L

K

E

E

R

Q

Q

G

G

V

V

D

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

V
x
S

L

M

N

E

I

I

F

H

D

Q

A

A

L

L

Y

T

S

R

F

S

S

S

E

S

I

I

R

R

C

N

V

V

L

L

T

P

S

R

H

H

E
|
E

Q

Q

G

G

A

G

S

V

H

F

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

V

P

G

G

V

I

C

C

L

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

I

L

A

A

T

D

A

A

Y

L

M

L

D

D

S

S

V

V

P

P

M

L

V

V

A

A

I

I

T

T

G

G

Q

Q

V

V

A

P

T

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S

R

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M

I

I

G

G

K

T

D

D

S

A

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F

Q
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Q

E
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E

V

T

D

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I

I

T

V

D

E

I

V

T

T

M

R

P

S

I

I

T

T

K

K

H

H

N

N

F

Y

I

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V

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R

M

K

D

V

V

E

E

D

D

L

I

A

P

D

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T

I

I

I

R

E

K

E

A

A

F

F

Y

F

I

L

A

A

Q

T

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S

G

G

R
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R

P

P

G

G

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P

V

V

L

L

I

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D

D

I

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K
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K

D

D

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G

Q

N

Q

-

L

-

A

-

I

-

P

E

N

C

W

E

E

Y

Q

E

A

P

M

R

R

K

L

P

P

E

G

K

Y

I

M

E

S

K

R

-

M

-

P

S

K

S

P

V

P

R

E

D

D

A

S

E

H

V

L

E

E

G

Q

A

I

I

V

E

R

L

L

L

I

L

S

E

E

S

S

K

K

R

K

P

P

V

V

I

L

I

Y

V

V

G
|
G

C

C

N

-

I

-

S

L

E

N

A

S

S

S

K

D

E

E

L

L

K

G

I

R

L

F

Q

V

E

E

K

L

L

T

K

G

C

I

P

P

V

V

C

A

S

S

T
|
T

M
x
L

M
|
M

G

G

L

L

G

G

A

S

F

Y

S

P

G

C

K

D

D

D

D

E

M

L

F

S

T

L

G

H

M

M

V
x
L

G

G

M
|
M

H
|
H

G

G

T

T

K

V

A

Y

S

A

N

N

K

Y

S

A

I

V

C

E

E

H

S

S

D

D

L

L

V

L

I

L

A

A

I

F

G
|
G

C

V

R
|
R

F

F

S
x
D

D

D

R
|
R

V
|
V

T

T

S

G

N

K

A

L

D

E

T

A

F

F

A

A

K

S

N

R

A

A

K

K

I

I

L

V

H

H

I

I

D
|
D

I
|
I

D

D

E

S

A

A

E

E

V

I

S

G

K

K

N

N

I

K

K

T

A

P

D

H

S

V

F

S

I

V

I

C

G

G

D
|
D

V
|
V

E

K

E

L

V

A

L

L

K

Q

K

G

V

M

N

N

E

K

K

V

L

L

T

E

A

N

R

R

E

A

G

E

N

E

E

L

W

K

T

L

E

D

Y

F

A

G

L

V

G

W

L

R

-

N

-

E

-

L

-

N

L

V

K

Q

K

K

D

Q

K

K

S

F

K

P

V

L

L

S

R

F

I

K

N

T

K

F

C

G

D

E

S

A

V

I

N

P

P

P

V

Q

Y

Y

V

A

I

I

K

K

K

V

L

L

Y

D

E

E

L

L

T

T

D

D

G

G

E

K

A

A

I

I

T

S

T

T

E

G

V
|
V

G
|
G

Q
|
Q

N
x
H

Q
|
Q

I
x
M

W

W

A

A

T

A

Q

Q

G

F

Y

Y

I

N

Y

Y

T

K

K

K

P

P

R

R

S

Q

F

W

I

L

T

S

S

S

G
|
G

G

G

L

L

G
|
G

T

A

M
|
M

G

G

Y

F

G

G

F

L

G

P

A

A

I

I

G

G

A

A

S

S

V

V

G

A

K

N

-

P

D

D

K

A

M

I

T

V

F

V

D

D

I

I

A

D

G
|
G

D
|
D

G
|
G

S
|
S

F

F

R

I

M

M

N

N

I

V

N

Q

E

E

L

L

A

A

T

T

V

I

V

R

R

V

Y

E

K

N

L

L

P

P

V

V

K

K

I

V

I

L

V

L

L

L

N

N

N
|
N

N

Q

V
x
H

L
|
L

G
|
G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

N

D

L

R

F

F

Y

Y

K

K

K

A

R

N

Y

R

S

A

S

H

T

T

T

F

L

L

-

G

-

D

-

P

-

A

E

Q

R

E

D

D

T

E

D

I

F

F

V

P

K

N

I

M

A

L

E

L

G

F

Y

A

G

A

A

A

L

C

G

G

L

I

-

P

-

A

R

R

V

V

D

T

T

K

N

K

A

A

G

D

V

L

E

R

S

E

A

A

L

I

K

Q

K

T

A

M

I

L

D

D

Y

T

D

P

G

G

P

P

V

Y

V

L

I

L

D

D

F

V

T

I

V

C

G

P

E
x
H

D

Q

E

E

M

H

A

V

T

L

P

P

I

M

V

I

P

P

P
x
S

G

G

A

G

D

T

I

F

E

N

N

D

M

V

V

I

active site: Y33 (= Y24), G35 (= G26), G36 (= G27), A37 (= A28), S38 (≠ V29), E59 (= E50), T82 (= T73), F121 (= F112), Q122 (= Q113), E123 (= E114), K171 (= K162), M266 (= M253), V293 (= V280), V400 (= V383), G426 (= G409), M428 (= M411), D453 (= D435), N480 (= N462), H482 (≠ V464), L483 (= L465), M485 (= M467), V486 (= V468), W489 (= W471), H558 (≠ E533)
binding methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate: H267 (= H254), R292 (= R279), M485 (= M467), W489 (= W471), S568 (≠ P543)
binding flavin-adenine dinucleotide: R161 (= R152), G222 (= G207), G223 (= G208), G224 (= G209), T246 (= T233), L247 (≠ M234), M248 (= M235), L264 (≠ V251), G286 (= G273), R288 (= R275), D290 (≠ S277), R292 (= R279), V293 (= V280), D310 (= D297), I311 (= I298), D329 (= D316), V330 (= V317), Q404 (= Q387), M405 (≠ I388), G423 (= G406)
binding magnesium ion: D453 (= D435), N480 (= N462), H482 (≠ V464)
binding 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogendiphosphate: V400 (= V383), G401 (= G384), Q402 (= Q385), H403 (≠ N386), G426 (= G409), M428 (= M411), G452 (= G434), G454 (= G436), S455 (= S437), N480 (= N462), H482 (≠ V464), L483 (= L465), G484 (= G466)

5k6rA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, thiencarbazone-methyl (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 14:576/582 of 5k6rA

query
sites
5k6rA

G

G

S

A

R

D

I

I

I

L

L

V

E

E

C

A

L

L

K

E

E

R

Q

Q

G

G

V

V

D

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

V
x
S

L

M

N

E

I

I

F

H

D

Q

A

A

L

L

Y

T

S

R

F

S

S

S

E

S

I

I

R

R

C

N

V

V

L

L

T

P

S

R

H

H

E
|
E

Q

Q

G

G

A

G

S

V

H

F

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

V

P

G

G

V

I

C

C

L

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

I

L

A

A

T

D

A

A

Y

L

M

L

D

D

S

S

V

V

P

P

M

L

V

V

A

A

I

I

T

T

G

G

Q

Q

V

V

A

P

T

R

S

R

L

M

I

I

G

G

K

T

D

D

S

A

F
|
F

Q
|
Q

E
|
E

V

T

D

P

I

I

T

V

D

E

I

V

T

T

M

R

P

S

I

I

T

T

K

K

H

H

N

N

F

Y

I

L

V

V

R

M

K

D

V

V

E

E

D

D

L

I

A

P

D

R

T

I

I

I

R

E

K

E

A

A

F

F

Y

F

I

L

A

A

Q

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

I

V

D

D

I

V

P

P

K
|
K

D

D

V

I

T

Q

G

Q

N

Q

-

L

-

A

-

I

-

P

E

N

C

W

E

E

Y

Q

E

A

P

M

R

R

K

L

P

P

E

G

K

Y

I

M

E

S

K

R

-

M

-

P

S

K

S

P

V

P

R

E

D

D

A

S

E

H

V

L

E

E

G

Q

A

I

I

V

E

R

L

L

L

I

L

S

E

E

S

S

K

K

R

K

P

P

V

V

I

L

I

Y

V

V

G
|
G

C

C

N

-

I

-

S

L

E

N

A

S

S

S

K

D

E

E

L

L

K

G

I

R

L

F

Q

V

E

E

K

L

L

T

K

G

C

I

P

P

V

V

C

A

S

S

T
|
T

M
x
L

M
|
M

G

G

L

L

G

G

A

S

F

Y

S

P

G

C

K

D

D

D

D

E

M

L

F

S

T

L

G

H

M

M

V
x
L

G

G

M
|
M

H

H

G

G

T

T

K

V

A

Y

S

A

N

N

K

Y

S

A

I

V

C

E

E

H

S

S

D

D

L

L

V

L

I

L

A

A

I

F

G
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G

C

V

R
|
R

F

F

S

D

D

D

R
|
R

V
|
V

T

T

S

G

N

K

A

L

D

E

T

A

F

F

A

A

K

S

N

R

A

A

K

K

I

I

L

V

H

H

I

I

D
|
D

I
|
I

D

D

E

S

A

A

E

E

V

I

S

G

K

K

N

N

I

K

K

T

A

P

D

H

S

V

F

S

I

V

I

C

G
|
G

D
|
D

V
|
V

E

K

E

L

V

A

L

L

K

Q

K

G

V

M

N

N

E

K

K

V

L

L

T

E

A

N

R

R

E

A

G

E

N

E

E

L

W

K

T

L

E

D

Y

F

A

G

L

V

G

W

L

R

-

N

-

E

-

L

-

N

L

V

K

Q

K

K

D

Q

K

K

S

F

K

P

V

L

L

S

R

F

I

K

N

T

K

F

C

G

D

E

S

A

V

I

N

P

P

P

V

Q

Y

Y

V

A

I

I

K

K

K

V

L

L

Y

D

E

E

L

L

T

T

D

D

G

G

E

K

A

A

I

I

T

S

T

T

E

G

V
|
V

G
|
G

Q
|
Q

N
x
H

Q

Q

I
x
M

W

W

A

A

T

A

Q

Q

G

F

Y

Y

I

N

Y

Y

T

K

K

K

P

P

R

R

S

Q

F

W

I

L

T

S

S

S

G
|
G

G

G

L

L

G
|
G

T

A

M
|
M

G

G

Y

F

G

G

F

L

G

P

A

A

I

I

G

G

A

A

S

S

V

V

G

A

K

N

-

P

D

D

K

A

M

I

T

V

F

V

D

D

I

I

A

D

G

G

D
|
D

G
|
G

S
|
S

F

F

R

I

M
|
M

N

N

I

V

N

Q

E

E

L

L

A

A

T

T

V

I

V

R

R

V

Y

E

K

N

L

L

P

P

V

V

K

K

I

V

I

L

V

L

L

L

N

N

N
|
N

N

Q

V
x
H

L
|
L

G
|
G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

N

D

L

R

F

F

Y

Y

K

K

K

A

R

N

Y

R

S

A

S

H

T

T

T

F

L

L

-

G

-

D

-

P

-

A

E

Q

R

E

D

D

T

E

D

I

F

F

V

P

K

N

I

M

A

L

E

L

G

F

Y

A

G

A

A

A

L

C

G

G

L

I

-

P

-

A

R

R

V

V

D

T

T

K

N

K

A

A

G

D

V

L

E

R

S

E

A

A

L

I

K

Q

K

T

A

M

I

L

D

D

Y

T

D

P

G

G

P

P

V

Y

V

L

I

L

D

D

F

V

T

I

V

C

G

P

E
x
H

D

Q

E

E

M

H

A

V

T

L

P

P

I

M

V

I

P

P

P
x
S

G

G

A

G

D

T

I

F

E

N

N

D

M

V

V

I

active site: Y33 (= Y24), G35 (= G26), G36 (= G27), A37 (= A28), S38 (≠ V29), E59 (= E50), T82 (= T73), F121 (= F112), Q122 (= Q113), E123 (= E114), K171 (= K162), M266 (= M253), V293 (= V280), V400 (= V383), G426 (= G409), M428 (= M411), D453 (= D435), N480 (= N462), H482 (≠ V464), L483 (= L465), M485 (= M467), V486 (= V468), W489 (= W471), H558 (≠ E533)
binding methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate: R292 (= R279), W489 (= W471), S568 (≠ P543)
binding flavin-adenine dinucleotide: R161 (= R152), G222 (= G207), G223 (= G208), G224 (= G209), T246 (= T233), L247 (≠ M234), M248 (= M235), L264 (≠ V251), M266 (= M253), G286 (= G273), R288 (= R275), R292 (= R279), V293 (= V280), D310 (= D297), I311 (= I298), G328 (= G315), D329 (= D316), V330 (= V317), M405 (≠ I388), G423 (= G406)
binding magnesium ion: D453 (= D435), N480 (= N462), H482 (≠ V464)
binding 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogendiphosphate: V400 (= V383), G401 (= G384), Q402 (= Q385), H403 (≠ N386), G426 (= G409), M428 (= M411), D453 (= D435), G454 (= G436), S455 (= S437), M458 (= M440), N480 (= N462), H482 (≠ V464), L483 (= L465), G484 (= G466), M485 (= M467), V486 (= V468)

1z8nA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with an imidazolinone herbicide, imazaquin (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 14:576/582 of 1z8nA

query
sites
1z8nA

G

G

S

A

R

D

I

I

I

L

L

V

E

E

C

A

L

L

K

E

E

R

Q

Q

G

G

V

V

D

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

V
x
S

L

M

N

E

I

I

F

H

D

Q

A

A

L

L

Y

T

S

R

F

S

S

S

E

S

I

I

R

R

C

N

V

V

L

L

T

P

S

R

H

H

E
|
E

Q

Q

G

G

A

G

S

V

H

F

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

V

P

G

G

V

I

C

C

L

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

I

L

A

A

T

D

A

A

Y

L

M

L

D

D

S

S

V

V

P

P

M

L

V

V

A

A

I

I

T

T

G

G

Q

Q

V

V

A

P

T

R

S

R

L

M

I

I

G

G

K

T

D

D

S

A

F
|
F

Q
|
Q

E
|
E

V

T

D

P

I

I

T

V

D

E

I

V

T

T

M

R

P

S

I

I

T

T

K
|
K

H

H

N

N

F

Y

I

L

V

V

R

M

K

D

V

V

E

E

D

D

L

I

A

P

D

R

T

I

I

I

R

E

K

E

A

A

F

F

Y

F

I

L

A

A

Q

T

S

S

G

G

R
|
R

P

P

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active site: Y33 (= Y24), G35 (= G26), G36 (= G27), A37 (= A28), S38 (≠ V29), E59 (= E50), T82 (= T73), F121 (= F112), Q122 (= Q113), E123 (= E114), K171 (= K162), M266 (= M253), V293 (= V280), V400 (= V383), G426 (= G409), M428 (= M411), D453 (= D435), N480 (= N462), H482 (≠ V464), L483 (= L465), M485 (= M467), V486 (= V468), W489 (= W471), H558 (≠ E533)
binding 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)quinoline-3-carboxylic acid: K135 (= K126), R161 (= R152), Y191 (≠ K178), R194 (≠ K181), D291 (= D278), R292 (= R279), D312 (= D299), W489 (= W471), G569 (= G544)
binding flavin-adenine dinucleotide: R161 (= R152), G222 (= G207), G224 (= G209), T246 (= T233), L247 (≠ M234), M248 (= M235), L264 (≠ V251), G265 (= G252), M266 (= M253), H267 (= H254), G286 (= G273), V287 (≠ C274), R288 (= R275), D290 (≠ S277), R292 (= R279), V293 (= V280), D310 (= D297), I311 (= I298), D329 (= D316), V330 (= V317), M405 (≠ I388), G423 (= G406), G424 (= G407)
binding magnesium ion: D453 (= D435), N480 (= N462)
binding thiamine diphosphate: V400 (= V383), G401 (= G384), Q402 (= Q385), H403 (≠ N386), G426 (= G409), M428 (= M411), G452 (= G434), G454 (= G436), S455 (= S437), N480 (= N462), H482 (≠ V464), L483 (= L465), G484 (= G466), M485 (= M467), V486 (= V468)

1yi1A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 14:576/582 of 1yi1A

query
sites
1yi1A

G

G

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A

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active site: Y33 (= Y24), G35 (= G26), G36 (= G27), A37 (= A28), S38 (≠ V29), E59 (= E50), T82 (= T73), F121 (= F112), Q122 (= Q113), E123 (= E114), K171 (= K162), M266 (= M253), V293 (= V280), V400 (= V383), G426 (= G409), M428 (= M411), D453 (= D435), N480 (= N462), H482 (≠ V464), L483 (= L465), M485 (= M467), V486 (= V468), W489 (= W471), H558 (≠ E533)
binding methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate: D291 (= D278), R292 (= R279), W489 (= W471), S568 (≠ P543)
binding flavin-adenine dinucleotide: R161 (= R152), G223 (= G208), G224 (= G209), T246 (= T233), L247 (≠ M234), M248 (= M235), M263 (= M250), L264 (≠ V251), G265 (= G252), M266 (= M253), H267 (= H254), G286 (= G273), V287 (≠ C274), R288 (= R275), D290 (≠ S277), V293 (= V280), D310 (= D297), I311 (= I298), D329 (= D316), V330 (= V317), M405 (≠ I388), G423 (= G406), G424 (= G407)
binding magnesium ion: D453 (= D435), N480 (= N462), H482 (≠ V464)

1yi0A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, sulfometuron methyl (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 14:576/582 of 1yi0A

query
sites
1yi0A

G

G

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A

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D

V

I

T

Q

G

Q

N

Q

-

L

-

A

-

I

-

P

E

N

C

W

E

E

Y

Q

E

A

P

M

R

R

K

L

P

P

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G

K

Y

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M

-

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D

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K

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P

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V

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I

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G
|
G

C

C

N

-

I

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S

L

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N

A

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D

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E

L

L

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I

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E

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K

L

L

T

K

G

C

I

P

P

V

V

C

A

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S

T
|
T

M
x
L

M
|
M

G

G

L

L

G

G

A

S

F

Y

S

P

G

C

K

D

D

D

D

E

M

L

F

S

T

L

G

H

M

M

V
x
L

G
|
G

M
|
M

H
|
H

G

G

T

T

K

V

A

Y

S

A

N

N

K

Y

S

A

I

V

C

E

E

H

S

S

D

D

L

L

V

L

I

L

A

A

I

F

G
|
G

C
x
V

R
|
R

F

F

S
x
D

D
|
D

R
|
R

V
|
V

T

T

S

G

N

K

A

L

D

E

T

A

F

F

A

A

K

S

N

R

A

A

K

K

I

I

L

V

H

H

I

I

D
|
D

I
|
I

D

D

E

S

A

A

E

E

V

I

S

G

K

K

N

N

I

K

K

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A

P

D

H

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F

S

I

V

I

C

G
|
G

D
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D

V
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V

E

K

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L

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A

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L

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Q

K

G

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M

N

N

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K

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N

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N

-

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-

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W

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K

K

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G

L

L

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M

G

G

Y

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G

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G

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A

A

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I

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G

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V

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F

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M

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L

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L

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P

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K

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V

I

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L

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N

N
|
N

N

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H

L
|
L

G

G

M
|
M

V
|
V

R

M

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Q

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|
W

Q

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N

D

L

R

F

F

Y

Y

K

K

K

A

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N

Y

R

S

A

S

H

T

T

T

F

L

L

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G

-

D

-

P

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Q

R

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D

D

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D

I

F

F

V

P

K

N

I

M

A

L

E

L

G

F

Y

A

G

A

A

A

L

C

G

G

L

I

-

P

-

A

R

R

V

V

D

T

T

K

N

K

A

A

G

D

V

L

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R

S

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A

A

L

I

K

Q

K

T

A

M

I

L

D

D

Y

T

D

P

G

G

P

P

V

Y

V

L

I

L

D

D

F

V

T

I

V

C

G

P

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H

D

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M

H

A

V

T

L

P

P

I

M

V

I

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P

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x
S

G

G

A

G

D

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N

D

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V

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active site: Y33 (= Y24), G35 (= G26), G36 (= G27), A37 (= A28), S38 (≠ V29), E59 (= E50), T82 (= T73), F121 (= F112), Q122 (= Q113), E123 (= E114), K171 (= K162), M266 (= M253), V293 (= V280), V400 (= V383), G426 (= G409), M428 (= M411), D453 (= D435), N480 (= N462), H482 (≠ V464), L483 (= L465), M485 (= M467), V486 (= V468), W489 (= W471), H558 (≠ E533)
binding methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D291 (= D278), R292 (= R279), W489 (= W471), S568 (≠ P543)
binding flavin-adenine dinucleotide: R161 (= R152), G222 (= G207), G223 (= G208), G224 (= G209), T246 (= T233), L247 (≠ M234), M248 (= M235), L264 (≠ V251), G265 (= G252), M266 (= M253), H267 (= H254), G286 (= G273), V287 (≠ C274), R288 (= R275), D290 (≠ S277), R292 (= R279), V293 (= V280), D310 (= D297), I311 (= I298), G328 (= G315), D329 (= D316), V330 (= V317), M405 (≠ I388), G423 (= G406), G424 (= G407)
binding magnesium ion: D453 (= D435), N480 (= N462), H482 (≠ V464)

1yhzA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 14:576/582 of 1yhzA

query
sites
1yhzA

G

G

S

A

R

D

I

I

I

L

L

V

E

E

C

A

L

L

K

E

E

R

Q

Q

G

G

V

V

D

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

V
x
S

L

M

N

E

I

I

F

H

D

Q

A

A

L

L

Y

T

S

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F

S

S

S

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S

I

I

R

R

C

N

V

V

L

L

T

P

S

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H

H

E
|
E

Q

Q

G

G

A

G

S

V

H

F

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

V

P

G

G

V

I

C

C

L

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

I

L

A

A

T

D

A

A

Y

L

M

L

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D

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P

M

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V

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A

I

I

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G

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S

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G

G

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D

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|
F

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|
Q

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|
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I

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M

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K

K

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H

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N

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D

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I

I

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A

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F

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G

G

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|
R

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L

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D

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|
K

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G

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|
T

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L

M
|
M

G

G

L

L

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F

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K

D

D

D

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L

G

G

M
|
M

H
|
H

G

G

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A

Y

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A

N

N

K

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D

L

L

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L

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A

A

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G
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G

C
x
V

R
|
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D

D
|
D

R
|
R

V
|
V

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N

K

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F

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|
D

I
|
I

D

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K

K

N

N

I

K

K

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G

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|
D

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|
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N

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G

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M

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W

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A

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Y

Y

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K

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|
G

L

L

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|
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T

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M
|
M

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L

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|
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F

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M

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N

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K

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I

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L

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N

N
|
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N

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x
H

L
|
L

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G

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|
M

V
|
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R

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W
|
W

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N

D

L

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F

Y

Y

K

K

K

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N

Y

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A

S

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T

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L

L

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G

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-

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Q

R

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D

D

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D

I

F

F

V

P

K

N

I

M

A

L

E

L

G

F

Y

A

G

A

A

A

L

C

G

G

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I

-

P

-

A

R

R

V

V

D

T

T

K

N

K

A

A

G

D

V

L

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R

S

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A

A

L

I

K

Q

K

T

A

M

I

L

D

D

Y

T

D

P

G

G

P

P

V

Y

V

L

I

L

D

D

F

V

T

I

V

C

G

P

E
x
H

D

Q

E

E

M

H

A

V

T

L

P

P

I

M

V

I

P

P

P
x
S

G

G

A

G

D

T

I

F

E

N

N

D

M

V

V

I

active site: Y33 (= Y24), G35 (= G26), G36 (= G27), A37 (= A28), S38 (≠ V29), E59 (= E50), T82 (= T73), F121 (= F112), Q122 (= Q113), E123 (= E114), K171 (= K162), M266 (= M253), V293 (= V280), V400 (= V383), G426 (= G409), M428 (= M411), D453 (= D435), N480 (= N462), H482 (≠ V464), L483 (= L465), M485 (= M467), V486 (= V468), W489 (= W471), H558 (≠ E533)
binding 1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea: D291 (= D278), R292 (= R279), M485 (= M467), W489 (= W471), S568 (≠ P543)
binding flavin-adenine dinucleotide: R161 (= R152), G223 (= G208), G224 (= G209), T246 (= T233), L247 (≠ M234), M248 (= M235), L264 (≠ V251), M266 (= M253), H267 (= H254), G286 (= G273), V287 (≠ C274), R288 (= R275), D290 (≠ S277), V293 (= V280), D310 (= D297), I311 (= I298), D329 (= D316), V330 (= V317), Q404 (= Q387), M405 (≠ I388), G423 (= G406), G424 (= G407)
binding magnesium ion: D453 (= D435), N480 (= N462), H482 (≠ V464)

1yhyA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, metsulfuron methyl (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 14:576/582 of 1yhyA

query
sites
1yhyA

G

G

S

A

R

D

I

I

I

L

L

V

E

E

C

A

L

L

K

E

E

R

Q

Q

G

G

V

V

D

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

V
x
S

L

M

N

E

I

I

F

H

D

Q

A

A

L

L

Y

T

S

R

F

S

S

S

E

S

I

I

R

R

C

N

V

V

L

L

T

P

S

R

H

H

E
|
E

Q

Q

G

G

A

G

S

V

H

F

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

V

P

G

G

V

I

C

C

L

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

I

L

A

A

T

D

A

A

Y

L

M

L

D

D

S

S

V

V

P

P

M

L

V

V

A

A

I

I

T

T

G

G

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Q

V

V

A

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T

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S

R

L

M

I

I

G

G

K

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D

D

S

A

F
|
F

Q
|
Q

E
|
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V

T

D

P

I

I

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D

E

I

V

T

T

M

R

P

S

I

I

T

T

K

K

H

H

N

N

F

Y

I

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D

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D

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D

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I

I

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K

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A

A

F

F

Y

F

I

L

A

A

Q

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S

G

G

R
|
R

P

P

G

G

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V

V

L

L

I

V

D

D

I

V

P

P

K
|
K

D

D

V

I

T

Q

G

Q

N

Q

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L

-

A

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I

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C

W

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S

E

E

S

S

K

K

R

K

P

P

V

V

I

L

I

Y

V

V

G
|
G

C

C

N

-

I

-

S

L

E

N

A

S

S

S

K

D

E

E

L

L

K

G

I

R

L

F

Q

V

E

E

K

L

L

T

K

G

C

I

P

P

V

V

C

A

S

S

T
|
T

M
x
L

M
|
M

G

G

L

L

G

G

A

S

F

Y

S

P

G

C

K

D

D

D

D

E

M

L

F

S

T

L

G

H

M

M

V
x
L

G
|
G

M
|
M

H
|
H

G

G

T

T

K

V

A

Y

S

A

N

N

K

Y

S

A

I

V

C

E

E

H

S

S

D

D

L

L

V

L

I

L

A

A

I

F

G
|
G

C
x
V

R
|
R

F

F

S
x
D

D
|
D

R
|
R

V
|
V

T

T

S

G

N

K

A

L

D

E

T

A

F

F

A

A

K

S

N

R

A

A

K

K

I

I

L

V

H

H

I

I

D
|
D

I
|
I

D

D

E

S

A

A

E

E

V

I

S

G

K

K

N

N

I

K

K

T

A

P

D

H

S

V

F

S

I

V

I

C

G

G

D
|
D

V
|
V

E

K

E

L

V

A

L

L

K

Q

K

G

V

M

N

N

E

K

K

V

L

L

T

E

A

N

R

R

E

A

G

E

N

E

E

L

W

K

T

L

E

D

Y

F

A

G

L

V

G

W

L

R

-

N

-

E

-

L

-

N

L

V

K

Q

K

K

D

Q

K

K

S

F

K

P

V

L

L

S

R

F

I

K

N

T

K

F

C

G

D

E

S

A

V

I

N

P

P

P

V

Q

Y

Y

V

A

I

I

K

K

K

V

L

L

Y

D

E

E

L

L

T

T

D

D

G

G

E

K

A

A

I

I

T

S

T

T

E

G

V
|
V

G

G

Q

Q

N

H

Q
|
Q

I
x
M

W

W

A

A

T

A

Q

Q

G

F

Y

Y

I

N

Y

Y

T

K

K

K

P

P

R

R

S

Q

F

W

I

L

T

S

S

S

G
|
G

L

L

G
|
G

T

A

M
|
M

G

G

Y

F

G

G

F

L

G

P

A

A

I

I

G

G

A

A

S

S

V

V

G

A

K

N

-

P

D

D

K

A

M

I

T

V

F

V

D

D

I

I

A

D

G

G

D
|
D

G

G

S

S

F

F

R

I

M

M

N

N

I

V

N

Q

E

E

L

L

A

A

T

T

V

I

V

R

R

V

Y

E

K

N

L

L

P

P

V

V

K

K

I

V

I

L

V

L

L

L

N

N

N
|
N

N

Q

V
x
H

L
|
L

G

G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

N

D

L

R

F

F

Y

Y

K

K

K

A

R

N

Y

R

S

A

S

H

T

T

T

F

L

L

-

G

-

D

-

P

-

A

E

Q

R

E

D

D

T

E

D

I

F

F

V

P

K

N

I

M

A

L

E

L

G

F

Y

A

G

A

A

A

L

C

G

G

L

I

-

P

-

A

R

R

V

V

D

T

T

K

N

K

A

A

G

D

V

L

E

R

S

E

A

A

L

I

K

Q

K

T

A

M

I

L

D

D

Y

T

D

P

G

G

P

P

V

Y

V

L

I

L

D

D

F

V

T

I

V

C

G

P

E
x
H

D

Q

E

E

M

H

A

V

T

L

P

P

I

M

V

I

P

P

P
x
S

G

G

A

G

D

T

I

F

E

N

N

D

M

V

V

I

active site: Y33 (= Y24), G35 (= G26), G36 (= G27), A37 (= A28), S38 (≠ V29), E59 (= E50), T82 (= T73), F121 (= F112), Q122 (= Q113), E123 (= E114), K171 (= K162), M266 (= M253), V293 (= V280), V400 (= V383), G426 (= G409), M428 (= M411), D453 (= D435), N480 (= N462), H482 (≠ V464), L483 (= L465), M485 (= M467), V486 (= V468), W489 (= W471), H558 (≠ E533)
binding methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D291 (= D278), R292 (= R279), V486 (= V468), W489 (= W471), S568 (≠ P543)
binding flavin-adenine dinucleotide: R161 (= R152), G222 (= G207), G223 (= G208), G224 (= G209), T246 (= T233), L247 (≠ M234), M248 (= M235), L264 (≠ V251), G265 (= G252), M266 (= M253), H267 (= H254), G286 (= G273), V287 (≠ C274), R288 (= R275), D290 (≠ S277), V293 (= V280), D310 (= D297), I311 (= I298), D329 (= D316), V330 (= V317), Q404 (= Q387), M405 (≠ I388), G423 (= G406), G424 (= G407)
binding magnesium ion: D453 (= D435), N480 (= N462), H482 (≠ V464)

1ybhA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide chlorimuron ethyl (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 14:576/582 of 1ybhA

query
sites
1ybhA

G

G

S

A

R

D

I

I

I

L

L

V

E

E

C

A

L

L

K

E

E

R

Q

Q

G

G

V

V

D

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

V
x
S

L

M

N

E

I

I

F

H

D

Q

A

A

L

L

Y

T

S

R

F

S

S

S

E

S

I

I

R

R

C

N

V

V

L

L

T

P

S

R

H

H

E
|
E

Q

Q

G

G

A

G

S

V

H

F

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

V

P

G

G

V

I

C

C

L

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

I

L

A

A

T

D

A

A

Y

L

M

L

D

D

S

S

V

V

P

P

M

L

V

V

A

A

I

I

T

T

G

G

Q

Q

V

V

A

P

T

R

S

R

L

M

I

I

G

G

K

T

D

D

S

A

F
|
F

Q
|
Q

E
|
E

V

T

D

P

I

I

T

V

D

E

I

V

T

T

M

R

P

S

I

I

T

T

K

K

H

H

N

N

F

Y

I

L

V

V

R

M

K

D

V

V

E

E

D

D

L

I

A

P

D

R

T

I

I

I

R

E

K

E

A

A

F

F

Y

F

I

L

A

A

Q

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

I

V

D

D

I

V

P

P

K
|
K

D

D

V

I

T

Q

G

Q

N

Q

-

L

-

A

-

I

-

P

E

N

C

W

E

E

Y

Q

E

A

P

M

R

R

K

L

P

P

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G

K

Y

I

M

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S

K

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M

-

P

S

K

S

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V

P

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D

D

A

S

E

H

V

L

E

E

G

Q

A

I

I

V

E

R

L

L

L

I

L

S

E

E

S

S

K

K

R

K

P

P

V

V

I

L

I

Y

V

V

G

G

G
|
G

C

C

N

-

I

-

S

L

E

N

A

S

S

S

K

D

E

E

L

L

K

G

I

R

L

F

Q

V

E

E

K

L

L

T

K

G

C

I

P

P

V

V

C

A

S

S

T
|
T

M
x
L

M
|
M

G

G

L

L

G

G

A

S

F

Y

S

P

G

C

K

D

D

D

D

E

M

L

F

S

T

L

G

H

M

M

V
x
L

G

G

M
|
M

H
|
H

G

G

T

T

K

V

A

Y

S

A

N

N

K

Y

S

A

I

V

C

E

E

H

S

S

D

D

L

L

V

L

I

L

A

A

I

F

G
|
G

C
x
V

R
|
R

F

F

S
x
D

D
|
D

R
|
R

V
|
V

T

T

S

G

N

K

A

L

D

E

T

A

F

F

A

A

K

S

N

R

A

A

K

K

I

I

L

V

H

H

I

I

D
|
D

I
|
I

D

D

E

S

A

A

E

E

V

I

S

G

K

K

N

N

I

K

K

T

A

P

D

H

S

V

F

S

I

V

I

C

G

G

D
|
D

V
|
V

E

K

E

L

V

A

L

L

K

Q

K

G

V

M

N

N

E

K

K

V

L

L

T

E

A

N

R

R

E

A

G

E

N

E

E

L

W

K

T

L

E

D

Y

F

A

G

L

V

G

W

L

R

-

N

-

E

-

L

-

N

L

V

K

Q

K

K

D

Q

K

K

S

F

K

P

V

L

L

S

R

F

I

K

N

T

K

F

C

G

D

E

S

A

V

I

N

P

P

P

V

Q

Y

Y

V

A

I

I

K

K

K

V

L

L

Y

D

E

E

L

L

T

T

D

D

G

G

E

K

A

A

I

I

T

S

T

T

E

G

V
|
V

G

G

Q

Q

N

H

Q
|
Q

I
x
M

W

W

A

A

T

A

Q

Q

G

F

Y

Y

I

N

Y

Y

T

K

K

K

P

P

R

R

S

Q

F

W

I

L

T

S

S

S

G
|
G

L

L

G
|
G

T

A

M
|
M

G

G

Y

F

G

G

F

L

G

P

A

A

I

I

G

G

A

A

S

S

V

V

G

A

K

N

-

P

D

D

K

A

M

I

T

V

F

V

D

D

I

I

A

D

G

G

D
|
D

G

G

S

S

F

F

R

I

M

M

N

N

I

V

N

Q

E

E

L

L

A

A

T

T

V

I

V

R

R

V

Y

E

K

N

L

L

P

P

V

V

K

K

I

V

I

L

V

L

L

L

N

N

N
|
N

N

Q

V
x
H

L
|
L

G

G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

N

D

L

R

F

F

Y

Y

K

K

K

A

R

N

Y

R

S

A

S

H

T

T

T

F

L

L

-

G

-

D

-

P

-

A

E

Q

R

E

D

D

T

E

D

I

F

F

V

P

K

N

I

M

A

L

E

L

G

F

Y

A

G

A

A

A

L

C

G

G

L

I

-

P

-

A

R

R

V

V

D

T

T

K

N

K

A

A

G

D

V

L

E

R

S

E

A

A

L

I

K

Q

K

T

A

M

I

L

D

D

Y

T

D

P

G

G

P

P

V

Y

V

L

I

L

D

D

F

V

T

I

V

C

G

P

E
x
H

D

Q

E

E

M

H

A

V

T

L

P

P

I

M

V

I

P

P

P
x
S

G

G

A

G

D

T

I

F

E

N

N

D

M

V

V

I

active site: Y33 (= Y24), G35 (= G26), G36 (= G27), A37 (= A28), S38 (≠ V29), E59 (= E50), T82 (= T73), F121 (= F112), Q122 (= Q113), E123 (= E114), K171 (= K162), M266 (= M253), V293 (= V280), V400 (= V383), G426 (= G409), M428 (= M411), D453 (= D435), N480 (= N462), H482 (≠ V464), L483 (= L465), M485 (= M467), V486 (= V468), W489 (= W471), H558 (≠ E533)
binding 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester: M266 (= M253), D291 (= D278), R292 (= R279), M485 (= M467), W489 (= W471), S568 (≠ P543)
binding flavin-adenine dinucleotide: R161 (= R152), G223 (= G208), G224 (= G209), T246 (= T233), L247 (≠ M234), M248 (= M235), L264 (≠ V251), M266 (= M253), H267 (= H254), G286 (= G273), V287 (≠ C274), R288 (= R275), D290 (≠ S277), V293 (= V280), D310 (= D297), I311 (= I298), D329 (= D316), V330 (= V317), Q404 (= Q387), M405 (≠ I388), G423 (= G406), G424 (= G407)
binding magnesium ion: D453 (= D435), N480 (= N462), H482 (≠ V464)

5k3sA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, bispyribac-sodium (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 14:576/583 of 5k3sA

query
sites
5k3sA

G

G

S

A

R

D

I

I

I

L

L

V

E

E

C

A

L

L

K

E

E

R

Q

Q

G

G

V

V

D

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

V
x
S

L

M

N

E

I

I

F

H

D

Q

A

A

L

L

Y

T

S

R

F

S

S

S

E

S

I

I

R

R

C

N

V

V

L

L

T

P

S

R

H

H

E
|
E

Q

Q

G

G

A

G

S

V

H

F

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

V

P

G

G

V

I

C

C

L

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

I

L

A

A

T

D

A

A

Y

L

M

L

D

D

S

S

V

V

P

P

M

L

V

V

A

A

I

I

T

T

G

G

Q

Q

V

V

A

P

T

R

S

R

L

M

I

I

G

G

K

T

D

D

S

A

F
|
F

Q
|
Q

E
|
E

V

T

D

P

I

I

T

V

D

E

I

V

T

T

M

R

P

S

I

I

T

T

K

K

H

H

N

N

F

Y

I

L

V

V

R

M

K

D

V

V

E

E

D

D

L

I

A

P

D

R

T

I

I

I

R

E

K

E

A

A

F

F

Y

F

I

L

A

A

Q

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

I

V

D

D

I

V

P

P

K
|
K

D

D

V

I

T

Q

G

Q

N

Q

-

L

-

A

-

I

-

P

E

N

C

W

E

E

Y

Q

E

A

P

M

R

R

K

L

P

P

E

G

K

Y

I

M

E

S

K

R

-

M

-

P

S

K

S

P

V

P

R

E

D

D

A

S

E

H

V

L

E

E

G

Q

A

I

I

V

E

R

L

L

L

I

L

S

E

E

S

S

K

K

R

K

P

P

V

V

I

L

I

Y

V

V

G
|
G

C

C

N

-

I

-

S

L

E

N

A

S

S

S

K

D

E

E

L

L

K

G

I

R

L

F

Q

V

E

E

K

L

L

T

K

G

C

I

P

P

V

V

C

A

S

S

T
|
T

M
x
L

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active site: Y33 (= Y24), G35 (= G26), G36 (= G27), A37 (= A28), S38 (≠ V29), E59 (= E50), T82 (= T73), F121 (= F112), Q122 (= Q113), E123 (= E114), K171 (= K162), M266 (= M253), V293 (= V280), V400 (= V383), G426 (= G409), M428 (= M411), D453 (= D435), N480 (= N462), H482 (≠ V464), L483 (= L465), M485 (= M467), V486 (= V468), W489 (= W471), H558 (≠ E533)
binding 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid: R292 (= R279), M485 (= M467), W489 (= W471), G569 (= G544)
binding flavin-adenine dinucleotide: R161 (= R152), G222 (= G207), G223 (= G208), G224 (= G209), T246 (= T233), L247 (≠ M234), M248 (= M235), L264 (≠ V251), M266 (= M253), G286 (= G273), R288 (= R275), D290 (≠ S277), V293 (= V280), D310 (= D297), I311 (= I298), D329 (= D316), V330 (= V317), M405 (≠ I388), G423 (= G406)
binding magnesium ion: D453 (= D435), N480 (= N462), H482 (≠ V464)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V383), G401 (= G384), Q402 (= Q385), H403 (≠ N386), G426 (= G409), M428 (= M411), D453 (= D435), G454 (= G436), S455 (= S437), N480 (= N462), H482 (≠ V464), L483 (= L465), G484 (= G466), M485 (= M467), V486 (= V468)

7tzzA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase p197t mutant in complex with bispyribac-sodium (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 14:576/582 of 7tzzA

query
sites
7tzzA

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binding 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid: M266 (= M253), R292 (= R279), W489 (= W471), S568 (≠ P543)
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: V400 (= V383), G401 (= G384), Q402 (= Q385), H403 (≠ N386), G426 (= G409), M428 (= M411), G452 (= G434), D453 (= D435), G454 (= G436), S455 (= S437), L483 (= L465), G484 (= G466), M485 (= M467), V486 (= V468)
binding flavin-adenine dinucleotide: R161 (= R152), G222 (= G207), G223 (= G208), G224 (= G209), T246 (= T233), L247 (≠ M234), M248 (= M235), M263 (= M250), L264 (≠ V251), M266 (= M253), H267 (= H254), G286 (= G273), R288 (= R275), V293 (= V280), D310 (= D297), I311 (= I298), D329 (= D316), V330 (= V317), M405 (≠ I388), G423 (= G406)
binding magnesium ion: A37 (= A28), T82 (= T73), S83 (= S74), Q122 (= Q113), Y381 (= Y364), D453 (= D435), M458 (= M440), Q461 (≠ N443), N480 (= N462), H482 (≠ V464), K533 (≠ N508)

5k2oA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, pyrithiobac (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 14:576/585 of 5k2oA

query
sites
5k2oA

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active site: Y33 (= Y24), G35 (= G26), G36 (= G27), A37 (= A28), S38 (≠ V29), E59 (= E50), T82 (= T73), F121 (= F112), Q122 (= Q113), E123 (= E114), K171 (= K162), M266 (= M253), V293 (= V280), V400 (= V383), G426 (= G409), M428 (= M411), D453 (= D435), N480 (= N462), H482 (≠ V464), L483 (= L465), M485 (= M467), V486 (= V468), W489 (= W471), H558 (≠ E533)
binding 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid: M266 (= M253), R292 (= R279), W489 (= W471), S568 (≠ P543)
binding flavin-adenine dinucleotide: R161 (= R152), G222 (= G207), G223 (= G208), G224 (= G209), T246 (= T233), L247 (≠ M234), M248 (= M235), L264 (≠ V251), G286 (= G273), R288 (= R275), D290 (≠ S277), V293 (= V280), D310 (= D297), I311 (= I298), D329 (= D316), V330 (= V317), Q404 (= Q387), M405 (≠ I388), G423 (= G406)
binding magnesium ion: D453 (= D435), N480 (= N462), H482 (≠ V464)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V383), G401 (= G384), Q402 (= Q385), H403 (≠ N386), M428 (= M411), D453 (= D435), G454 (= G436), S455 (= S437), N480 (= N462), H482 (≠ V464), L483 (= L465), G484 (= G466), M485 (= M467), V486 (= V468)

P17597 Acetolactate synthase, chloroplastic; AtALS; Acetohydroxy-acid synthase; Protein CHLORSULFURON RESISTANT 1; EC 2.2.1.6 from Arabidopsis thaliana (Mouse-ear cress) (see 8 papers)
45% identity, 99% coverage: 5:551/554 of query aligns to 99:661/670 of P17597

query
sites
P17597

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A122 (= A28) mutation to V: Reduced catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.
M124 (≠ L30) mutation to E: Reduced catalytic activity. Resistant to imidazolinone herbicides and reduced sensitivity to sulfonylurea herbicides.; mutation to I: No effect on catalytic activity. Increased resistance to imidazolinone herbicides.
E144 (= E50) binding thiamine diphosphate
S186 (= S92) binding FAD
P197 (≠ A103) mutation to S: In csr1-1/GH50; resistant to sulfonylurea but not to imidazolinone herbicides.
R199 (≠ S105) mutation R->A,E: No effect on catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.
Q207 (= Q113) binding thiamine diphosphate
K220 (= K126) binding (R)-imazaquin
R246 (= R152) binding (R)-imazaquin; binding FAD
K256 (= K162) binding chlorimuron-ethyl
G308 (= G208) binding FAD
TL 331:332 (≠ TM 233:234) binding FAD
C340 (≠ G242) modified: Cysteine sulfinic acid (-SO2H)
LGMH 349:352 (≠ VGMH 251:254) binding FAD
GVRFD 371:375 (≠ GCRFS 273:277) binding FAD
DR 376:377 (= DR 278:279) binding chlorimuron-ethyl
DI 395:396 (= DI 297:298) binding FAD
DV 414:415 (= DV 316:317) binding FAD
QH 487:488 (≠ QN 385:386) binding thiamine diphosphate
GG 508:509 (= GG 406:407) binding FAD
GAM 511:513 (≠ GTM 409:411) binding thiamine diphosphate
D538 (= D435) binding Mg(2+)
DGS 538:540 (= DGS 435:437) binding thiamine diphosphate
N565 (= N462) binding Mg(2+)
NQHLGM 565:570 (≠ NNVLGM 462:467) binding thiamine diphosphate
H567 (≠ V464) binding Mg(2+)
W574 (= W471) binding chlorimuron-ethyl; mutation to L: Increased catalytic activity. Resistant to imidazolinone and sulfonylurea herbicides.; mutation to S: Slightly decreased catalytic activity. Resistant to imidazolinone and sulfonylurea herbicides.
S653 (≠ P543) binding chlorimuron-ethyl; mutation to A: No effect on catalytic activity or sensitivity to herbicides.; mutation to F: No effect on catalytic activity. Resistant to imidazolinone herbicides and also slightly sulfonylurea-resistant.; mutation to N: In csr1-2/GH90; no effect on catalytic activity. Resistant to imidazolinone but not to sulfonylurea herbicides.; mutation to T: No effect on catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.

3ea4A Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron-ester (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 13:575/582 of 3ea4A

query
sites
3ea4A

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-

I

-

S

L

E

N

A

S

S

S

K

D

E

E

L

L

K

G

I

R

L

F

Q

V

E

E

K

L

L

T

K

G

C

I

P

P

V

V

C

A

S

T

T
|
T

M
x
L

M
|
M

G

G

L

L

G

G

A

S

F

Y

S

P

G

C

K

D

D

D

D

E

M

L

F

S

T

L

G

H

M

M

V
x
L

G
|
G

M
|
M

H
|
H

G

G

T

T

K

V

A

Y

S

A

N

N

K

Y

S

A

I

V

C

E

E

H

S

S

D

D

L

L

V

L

I

L

A

A

I

F

G
|
G

C

V

R
|
R

F

F

S
x
D

D
|
D

R
|
R

V
|
V

T

T

S

G

N

K

A

L

D

E

T

A

F

F

A

A

K

S

N

R

A

A

K

K

I

I

L

V

H

H

I

I

D
|
D

I
|
I

D

D

E

S

A

A

E

E

V

I

S

G

K

K

N

N

I

K

K

T

A

P

D

H

S

V

F

S

I

V

I

C

G
|
G

D
|
D

V
|
V

E

K

E

L

V

A

L

L

K

Q

K

G

V

M

N

N

E

K

K

V

L

L

T

E

A

N

R

R

E

A

G

E

N

E

E

L

W

K

T

L

E

D

Y

F

A

G

L

V

G

W

L

R

-

N

-

E

-

L

-

N

L

V

K

Q

K

K

D

Q

K

K

S

F

K

P

V

L

L

S

R

F

I

K

N

T

K

F

C

G

D

E

S

A

V

I

N

P

P

P

V

Q

Y

Y

V

A

I

I

K

K

K

V

L

L

Y

D

E

E

L

L

T

T

D

D

G

G

E

K

A

A

I

I

T

S

T

T

E

G

V
|
V

G
|
G

Q
|
Q

N
x
H

Q

Q

I
x
M

W

W

A

A

T

A

Q

Q

G

F

Y

Y

I

N

Y

Y

T

K

K

K

P

P

R

R

S

Q

F

W

I

L

T

S

S

S

G
|
G

G

G

L

L

G
|
G

T

A

M
|
M

G

G

Y

F

G

G

F

L

G

P

A

A

I

I

G

G

A

A

S

S

V

V

G

A

K

N

-

P

D

D

K

A

M

I

T

V

F

V

D

D

I

I

A

D

G
|
G

D
|
D

G
|
G

S
|
S

F

F

R

I

M

M

N

N

I

V

N

Q

E

E

L

L

A

A

T

T

V

I

V

R

R

V

Y

E

K

N

L

L

P

P

V

V

K

K

I

V

I

L

V

L

L

L

N

N

N
|
N

N

Q

V
x
H

L
|
L

G
|
G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

N

D

L

R

F

F

Y

Y

K

K

K

A

R

N

Y

R

S

A

S

H

T

T

T

F

L

L

-

G

-

D

-

P

-

A

E

Q

R

E

D

D

T

E

D

I

F

F

V

P

K

N

I

M

A

L

E

L

G

F

Y

A

G

A

A

A

L

C

G

G

L

I

-

P

-

A

R

R

V

V

D

T

T

K

N

K

A

A

G

D

V

L

E

R

S

E

A

A

L

I

K

Q

K

T

A

M

I

L

D

D

Y

T

D

P

G

G

P

P

V

Y

V

L

I

L

D

D

F

V

T

I

V

C

G

P

E
x
H

D

Q

E

E

M

H

A

V

T

L

P

P

I

M

V

I

P

P

P
x
S

G

G

A

G

D

T

I

F

E

N

N

D

M

V

V

I

active site: Y32 (= Y24), G34 (= G26), G35 (= G27), A36 (= A28), S37 (≠ V29), E58 (= E50), T81 (= T73), F120 (= F112), Q121 (= Q113), E122 (= E114), K170 (= K162), M265 (= M253), V292 (= V280), V399 (= V383), G425 (= G409), M427 (= M411), D452 (= D435), N479 (= N462), H481 (≠ V464), L482 (= L465), M484 (= M467), V485 (= V468), W488 (= W471), H557 (≠ E533)
binding methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate: D290 (= D278), R291 (= R279), W488 (= W471), S567 (≠ P543)
binding flavin-adenine dinucleotide-n5-isobutyl ketone: R160 (= R152), G221 (= G207), G222 (= G208), G223 (= G209), T245 (= T233), L246 (≠ M234), M247 (= M235), L263 (≠ V251), G264 (= G252), M265 (= M253), H266 (= H254), G285 (= G273), R287 (= R275), D289 (≠ S277), R291 (= R279), D309 (= D297), I310 (= I298), G327 (= G315), D328 (= D316), V329 (= V317), M404 (≠ I388), G422 (= G406)
binding magnesium ion: D452 (= D435), N479 (= N462), H481 (≠ V464)
binding 2-[(2e)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyltrihydrogen diphosphate: V399 (= V383), G400 (= G384), Q401 (= Q385), H402 (≠ N386), M427 (= M411), G451 (= G434), D452 (= D435), G453 (= G436), S454 (= S437), N479 (= N462), H481 (≠ V464), L482 (= L465), G483 (= G466), M484 (= M467), V485 (= V468)

3e9yA Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron (see paper)
45% identity, 99% coverage: 5:551/554 of query aligns to 13:575/582 of 3e9yA

query
sites
3e9yA

G

G

S

A

R

D

I

I

I

L

L

V

E

E

C

A

L

L

K

E

E

R

Q

Q

G

G

V

V

D

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

V
x
S

L

M

N

E

I

I

F

H

D

Q

A

A

L

L

Y

T

S

R

F

S

S

S

E

S

I

I

R

R

C

N

V

V

L

L

T

P

S

R

H

H

E
|
E

Q

Q

G

G

A

G

S

V

H

F

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

V

P

G

G

V

I

C

C

L

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

I

L

A

A

T

D

A

A

Y

L

M

L

D

D

S

S

V

V

P

P

M

L

V

V

A

A

I

I

T

T

G

G

Q

Q

V

V

A

P

T

R

S

R

L

M

I

I

G

G

K

T

D

D

S

A

F
|
F

Q
|
Q

E
|
E

V

T

D

P

I

I

T

V

D

E

I

V

T

T

M

R

P

S

I

I

T

T

K

K

H

H

N

N

F

Y

I

L

V

V

R

M

K

D

V

V

E

E

D

D

L

I

A

P

D

R

T

I

I

I

R

E

K

E

A

A

F

F

Y

F

I

L

A

A

Q

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

I

V

D

D

I

V

P

P

K
|
K

D

D

V

I

T

Q

G

Q

N

Q

-

L

-

A

-

I

-

P

E

N

C

W

E

E

Y

Q

E

A

P

M

R

R

K

L

P

P

E

G

K

Y

I

M

E

S

K

R

-

M

-

P

S

K

S

P

V

P

R

E

D

D

A

S

E

H

V

L

E

E

G

Q

A

I

I

V

E

R

L

L

L

I

L

S

E

E

S

S

K

K

R

K

P

P

V

V

I

L

I

Y

V

V

G
|
G

C

C

N

-

I

-

S

L

E

N

A

S

S

S

K

D

E

E

L

L

K

G

I

R

L

F

Q

V

E

E

K

L

L

T

K

G

C

I

P

P

V

V

C

A

S

T

T
|
T

M
x
L

M
|
M

G

G

L

L

G

G

A

S

F

Y

S

P

G

C

K

D

D

D

D

E

M

L

F

S

T

L

G

H

M

M

V
x
L

G

G

M
|
M

H

H

G

G

T

T

K

V

A

Y

S

A

N

N

K

Y

S

A

I

V

C

E

E

H

S

S

D

D

L

L

V

L

I

L

A

A

I

F

G
|
G

C

V

R
|
R

F

F

S
x
D

D
|
D

R
|
R

V
|
V

T

T

S

G

N

K

A

L

D

E

T

A

F

F

A

A

K

S

N

R

A

A

K

K

I

I

L

V

H

H

I

I

D
|
D

I
|
I

D

D

E

S

A

A

E

E

V

I

S

G

K

K

N

N

I

K

K

T

A

P

D

H

S

V

F

S

I

V

I

C

G
|
G

D
|
D

V
|
V

E

K

E

L

V

A

L

L

K

Q

K

G

V

M

N

N

E

K

K

V

L

L

T

E

A

N

R

R

E

A

G

E

N

E

E

L

W

K

T

L

E

D

Y

F

A

G

L

V

G

W

L

R

-

N

-

E

-

L

-

N

L

V

K

Q

K

K

D

Q

K

K

S

F

K

P

V

L

L

S

R

F

I

K

N

T

K

F

C

G

D

E

S

A

V

I

N

P

P

P

V

Q

Y

Y

V

A

I

I

K

K

K

V

L

L

Y

D

E

E

L

L

T

T

D

D

G

G

E

K

A

A

I

I

T

S

T

T

E

G

V
|
V

G
|
G

Q
|
Q

N
x
H

Q

Q

I
x
M

W

W

A

A

T

A

Q

Q

G

F

Y

Y

I

N

Y

Y

T

K

K

K

P

P

R

R

S

Q

F

W

I

L

T

S

S

S

G
|
G

G

G

L

L

G
|
G

T

A

M
|
M

G

G

Y

F

G

G

F

L

G

P

A

A

I

I

G

G

A

A

S

S

V

V

G

A

K

N

-

P

D

D

K

A

M

I

T

V

F

V

D

D

I

I

A

D

G
|
G

D
|
D

G
|
G

S
|
S

F

F

R

I

M

M

N

N

I

V

N

Q

E

E

L

L

A

A

T

T

V

I

V

R

R

V

Y

E

K

N

L

L

P

P

V

V

K

K

I

V

I

L

V

L

L

L

N

N

N
|
N

N

Q

V
x
H

L
|
L

G
|
G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

N

D

L

R

F

F

Y

Y

K

K

K

A

R

N

Y

R

S

A

S

H

T

T

T

F

L

L

-

G

-

D

-

P

-

A

E

Q

R

E

D

D

T

E

D

I

F

F

V

P

K

N

I

M

A

L

E

L

G

F

Y

A

G

A

A

A

L

C

G

G

L

I

-

P

-

A

R

R

V

V

D

T

T

K

N

K

A

A

G

D

V

L

E

R

S

E

A

A

L

I

K

Q

K

T

A

M

I

L

D

D

Y

T

D

P

G

G

P

P

V

Y

V

L

I

L

D

D

F

V

T

I

V

C

G

P

E
x
H

D

Q

E

E

M

H

A

V

T

L

P

P

I

M

V

I

P

P

P
x
S

G

G

A

G

D

T

I

F

E

N

N

D

M

V

V

I

active site: Y32 (= Y24), G34 (= G26), G35 (= G27), A36 (= A28), S37 (≠ V29), E58 (= E50), T81 (= T73), F120 (= F112), Q121 (= Q113), E122 (= E114), K170 (= K162), M265 (= M253), V292 (= V280), V399 (= V383), G425 (= G409), M427 (= M411), D452 (= D435), N479 (= N462), H481 (≠ V464), L482 (= L465), M484 (= M467), V485 (= V468), W488 (= W471), H557 (≠ E533)
binding N-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide: D290 (= D278), R291 (= R279), W488 (= W471), S567 (≠ P543)
binding flavin-adenine dinucleotide-n5-isobutyl ketone: R160 (= R152), G221 (= G207), G222 (= G208), G223 (= G209), T245 (= T233), L246 (≠ M234), M247 (= M235), L263 (≠ V251), G285 (= G273), R287 (= R275), D289 (≠ S277), R291 (= R279), D309 (= D297), I310 (= I298), G327 (= G315), D328 (= D316), V329 (= V317), M404 (≠ I388), G422 (= G406)
binding magnesium ion: D452 (= D435), N479 (= N462), H481 (≠ V464)
binding 2-[(2e)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxyethylidene)-4-methyl-2,3-dihydro-1,3-thiazol-5-yl]ethyltrihydrogen diphosphate: V399 (= V383), G400 (= G384), Q401 (= Q385), H402 (≠ N386), M427 (= M411), G451 (= G434), G453 (= G436), S454 (= S437), N479 (= N462), H481 (≠ V464), L482 (= L465), G483 (= G466), M484 (= M467), V485 (= V468)

6lpiB Crystal structure of ahas holo-enzyme (see paper)
41% identity, 99% coverage: 2:551/554 of query aligns to 5:539/539 of 6lpiB

query
sites
6lpiB

K

R

Y

F

N

T

G

G

S

A

R

E

I

F

I

I

L

V

E

H

C

F

L

L

K

E

E

Q

Q

Q

G

G

V

I

D

K

T

I

I

V

F

T

G

G

Y
x
I

P

P

G
|
G

A
x
S

V
x
I

L

L

N

P

I

V

F

Y

D

D

A

A

L

L

Y

S

S

Q

F

S

S

T

E

Q

I

I

R

R

C

H

V

I

L

L

T

A

S

R

H

H

E
|
E

Q

Q

G

G

A

A

S

G

H

F

A

I

A

A

D

Q

G

G

Y

M

A

A

R

R

A

T

T

D

G

G

K

K

V

P

G

A

V

V

C

C

L

M

A

A

T
x
C

S

S

G

G

P
|
P

G

G

A

A

T

T

N

N

L

L

V

V

T

T

G

A

I

I

A

A

T

D

A

A

Y

R

M

L

D

D

S

S

V

I

P

P

M

L

V

I

A

C

I

I

T

T

G

G

Q

Q

V

V

A

P

T

A

S

S

L

M

I

I

G

G

K

T

D

D

S

A

F
|
F

Q
|
Q

E
|
E

V

V

D

D

I

T

T

Y

D

G

I

I

T

S

M

I

P

P

I

I

T

T

K

K

H

H

N

N

F

Y

I

L

V

V

R

R

K

H

V

I

E

E

D

E

L

L

A

P

D

Q

T

V

I

M

R

S

K

D

A

A

F

F

Y

R

I

I

A

A

Q

Q

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

W

I

I

D

D

I

I

P

P

K
|
K

D

D

V

V

T

Q

G

T

N

A

-

V

-

F

E

E

C

I

E

E

Y

T

E

Q

P

P

R

A

K

M

P

A

E

E

K

K

I

A

E

A

K

A

S

P

S

A

V

F

R

S

D

E

A

E

E

S

V

I

E

R

G

D

A

A

I

A

E

A

L

M

L

I

L

N

E

A

S

A

K

K

R

R

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P

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F

G

G

A

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L

-

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N

C

A

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G

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active site: I27 (≠ Y24), G29 (= G26), G30 (= G27), S31 (≠ A28), I32 (≠ V29), E53 (= E50), C76 (≠ T73), F115 (= F112), Q116 (= Q113), E117 (= E114), K165 (= K162), M256 (= M253), A283 (≠ V280), V375 (= V383), G401 (= G409), M403 (= M411), D428 (= D435), N455 (= N462), A457 (≠ V464), L458 (= L465), L460 (≠ M467), V461 (= V468), Q464 (≠ W471)
binding flavin-adenine dinucleotide: R155 (= R152), G212 (= G207), G213 (= G208), G214 (= G209), T236 (= T233), L237 (≠ M234), M238 (= M235), L254 (≠ V251), M256 (= M253), H257 (= H254), G276 (= G273), A277 (≠ C274), R278 (= R275), D280 (≠ S277), R282 (= R279), A283 (≠ V280), D300 (= D297), I301 (= I298), D319 (= D316), V320 (= V317), M380 (≠ I388), G398 (= G406)
binding magnesium ion: D428 (= D435), N455 (= N462)
binding thiamine diphosphate: E53 (= E50), C76 (≠ T73), P79 (= P76), G376 (= G384), Q377 (= Q385), H378 (≠ N386), G401 (= G409), M403 (= M411), G427 (= G434), D428 (= D435), G429 (= G436), S430 (= S437), M433 (= M440), N455 (= N462), A457 (≠ V464), L458 (= L465), G459 (= G466), L460 (≠ M467), V461 (= V468)

6vz8D Arabidopsis thaliana acetohydroxyacid synthase complex with valine bound (see paper)
44% identity, 95% coverage: 5:528/554 of query aligns to 13:526/531 of 6vz8D

query
sites
6vz8D

G

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D

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N

F

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K

L

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F

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C

G

G

A

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G

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D

active site: Y32 (= Y24), G34 (= G26), G35 (= G27), A36 (= A28), S37 (≠ V29), E58 (= E50), T81 (= T73), F120 (= F112), Q121 (= Q113), E122 (= E114), K170 (= K162), M256 (= M253), V283 (= V280), V376 (= V383), G402 (= G409), M404 (= M411), D429 (= D435), N456 (= N462), H458 (≠ V464), L459 (= L465), M461 (= M467), V462 (= V468), W465 (= W471)
binding flavin-adenine dinucleotide: G214 (= G207), G215 (= G208), G216 (= G209), T236 (= T233), L237 (≠ M234), L254 (≠ V251), H257 (= H254), R278 (= R275), R282 (= R279), V283 (= V280), I291 (= I298), G399 (= G406)
binding magnesium ion: H458 (≠ V464), L459 (= L465), G460 (= G466)
binding thiamine diphosphate: E58 (= E50), P84 (= P76), V376 (= V383), G377 (= G384), Q378 (= Q385), H379 (≠ N386), G402 (= G409), M404 (= M411), G428 (= G434), D429 (= D435), G430 (= G436), S431 (= S437), L459 (= L465), G460 (= G466), M461 (= M467), V462 (= V468)

Query Sequence

>WP_010966446.1 NCBI__GCF_000008765.1:WP_010966446.1
MKYNGSRIILECLKEQGVDTIFGYPGGAVLNIFDALYSFSEIRCVLTSHEQGASHAADGY
ARATGKVGVCLATSGPGATNLVTGIATAYMDSVPMVAITGQVATSLIGKDSFQEVDITDI
TMPITKHNFIVRKVEDLADTIRKAFYIAQSGRPGPVLIDIPKDVTGNECEYEPRKPEKIE
KSSVRDAEVEGAIELLLESKRPVIIVGGGCNISEASKELKILQEKLKCPVCSTMMGLGAF
SGKDDMFTGMVGMHGTKASNKSICESDLVIAIGCRFSDRVTSNADTFAKNAKILHIDIDE
AEVSKNIKADSFIIGDVEEVLKKVNEKLTAREGNEWTEYALGLLKKDKSKVLRINKCDSV
NPVYVIKKLYELTDGEAIITTEVGQNQIWATQGYIYTKPRSFITSGGLGTMGYGFGAAIG
ASVGKDKMTFDIAGDGSFRMNINELATVVRYKLPVKIIVLNNNVLGMVRQWQNLFYKKRY
SSTTLERDTDFVKIAEGYGALGLRVDTNAGVESALKKAIDYDGPVVIDFTVGEDEMATPI
VPPGADIENMVVLD

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