SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF543 FitnessBrowser__Marino:GFF543 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)

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)
42% identity, 98% coverage: 6:564/572 of query aligns to 96:657/667 of P09342

query
sites
P09342

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C161 (≠ V71) modified: Disulfide link with 307
P194 (≠ A104) mutation to Q: In C3; highly resistant to sulfonylurea herbicides.
C307 (≠ V217) 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)
42% identity, 98% coverage: 6:564/572 of query aligns to 93:654/664 of P09114

query
sites
P09114

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P191 (≠ A104) mutation to A: In S4-Hra; highly resistant to sulfonylurea herbicides; when associated with L-568.
W568 (= W484) mutation to L: In S4-Hra; highly resistant to sulfonylurea herbicides; when associated with A-191.

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)
42% identity, 99% coverage: 6:572/572 of query aligns to 99:668/670 of P17597

query
sites
P17597

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T

I

P

P

N

N

E

W

R

E

Y

Q

E

A

Y

M

A

R

Y

L

P

P

K

G

K

Y

V

M

K

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L

-

R

R

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M

Y

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N

K

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P

A

P

I

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D

G

S

H

H

A

L

G

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Q

Q

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-

A

-

V

V

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M

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A

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A

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K

K

R

K

P

P

I

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I

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Y

Y

A

V

G

G

G
|
G

G

G

V

C

V

L

L

-

G

-

K

N

A

S

S

S

D

D

Q

E

L

L

T

G

E

R

L

F

V

V

R

E

L

L

L

T

G

G

Y

I

P

P

I

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A

N

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T
|
T

L
|
L

M

M

G

G

I

L

G

G

C

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Y

Y

P

P

A
x
C

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D

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L

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W

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L

G
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G

M
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M

H
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H

G

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T

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Y

V

E

Y

A

A

N

N

M

Y

A

A

M

V

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E

H

H

S

S

D

D

L

L

I

L

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C

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G

A
x
V

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R

F
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F

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D

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R

V

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T

N

G

A

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T

L

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A

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A

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I

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D

I
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I

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A

A

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I

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N

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H

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x
D

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V

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K

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L

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A

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L

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Q

E

G

M

M

L

N

S

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L

V

V

L

K

E

E

N

A

R

N

A

E

E

K

E

P

L

D

K

A

L

D

D

A

-

I

F

A

G

S

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W

W

W

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N

Q

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I

L

D

N

E

V

W

Q

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A

Q

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K

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Y

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A

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Q

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Y

V

A

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I

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K

M

V

L

L

C

D

R

E

L

L

T

T

N

D

G

G

E

K

A

A

F

I

V

I

T

S

S

T

D

G

V

V

G

G

Q
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Q

H
|
H

Q

Q

M

M

F

W

A

A

Q

Q

Y

F

Y

Y

K

N

F

Y

D

K

K

K

P

P

N

R

R

Q

W

W

I

L

N

S

S

S

G
|
G

L

L

G
|
G

T
x
A

M
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M

G

G

F

F

G

G

L

L

P

P

A

A

M

I

G

G

V

A

K

S

L

V

T

A

H

N

P

P

D

D

D

A

E

I

V

V

L

V

C

D

I

I

T

D

G

G

E
x
D

G
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G

S
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S

I

F

Q

I

M

M

N

N

I

V

Q

Q

E

E

L

L

S

A

T

T

C

I

K

R

Q

V

Y

E

N

N

L

L

P

P

V

V

K

K

I

V

I

L

N

L

L

L

N

N

N
|
N

Q
|
Q

A
x
H

L
|
L

G
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G

M
|
M

V

V

K

M

Q

Q

W
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W

Q

E

D

D

M

R

N

F

Y

Y

E

K

S

A

R

N

H

R

A

A

E

H

S

T

Y

F

M

L

-

G

-

D

-

P

-

A

-

Q

-

E

-

D

E

E

S

I

L

F

P

P

D

N

F

M

I

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

H

I

K

P

G

A

V

A

R

R

I

V

E

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K

K

E

A

D

D

L

L

E

R

T

E

K

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L

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T

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M

L

L

A

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M

T

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P

D

G

E

P

L

Y

V

L

F

-

V

L

D

D

I

V

Y

I

V

C

D

P

R

H

F

Q

E

E

H

H

V

V

Y

L

P

P

M

M

Q

I

V

P

A
x
S

R

G

G

G

S

T

M

F

K

N

D

D

M

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W

I

L

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K

G

T

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E

G

R

R

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I

A122 (= A29) mutation to V: Reduced catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.
M124 (≠ L31) 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 (= E51) binding
S186 (= S93) binding
P197 (≠ A104) mutation to S: In csr1-1/GH50; resistant to sulfonylurea but not to imidazolinone herbicides.
R199 (≠ T106) mutation R->A,E: No effect on catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.
Q207 (= Q114) binding
K220 (= K127) binding
R246 (= R153) binding ; binding
K256 (= K163) binding
G308 (= G215) binding
TL 331:332 (= TL 240:241) binding
C340 (≠ A249) modified: Cysteine sulfinic acid (-SO2H)
LGMH 349:352 (= LGMH 258:261) binding
GVRFD 371:375 (≠ GARFD 280:284) binding
DR 376:377 (= DR 285:286) binding
DI 395:396 (= DI 304:305) binding
DV 414:415 (≠ PV 323:324) binding
QH 487:488 (= QH 397:398) binding
GG 508:509 (= GG 418:419) binding
GAM 511:513 (≠ GTM 421:423) binding
D538 (≠ E448) binding
DGS 538:540 (≠ EGS 448:450) binding
N565 (= N475) binding
NQHLGM 565:570 (≠ NQALGM 475:480) binding
H567 (≠ A477) binding
W574 (= W484) binding ; 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 (≠ A557) binding ; 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.

7tzzA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase p197t mutant in complex with bispyribac-sodium (see paper)
42% identity, 98% coverage: 6:564/572 of query aligns to 14:575/582 of 7tzzA

query
sites
7tzzA

G

G

A

A

D

D

M

I

L

L

I

V

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S

A

L

L

Q

E

D

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A

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I

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L

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S

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G

A

A

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N

N

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L

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G

G

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A

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L

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I

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Q

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G

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x
M

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G

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M
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H
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H

G

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Y

V

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Y

A

A

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M

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A

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G

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I

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A

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A

L

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I

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A

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Y

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A

A

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Y

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Y

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N

F

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D

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W

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G

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L

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M

G

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F

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G

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L

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P

A

A

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M

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Q

E

E

L

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E

N

N

L

L

P

P

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V

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K

I

V

I

L

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L

L

L

N

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N
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x
H

L
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L

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M
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M

V
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V

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M

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W

Q

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D

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M

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F

Y

Y

E

K

S

A

R

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H

R

A

A

E

H

S

T

Y

F

M

L

-

G

-

D

-

P

-

A

-

Q

-

E

-

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N

F

M

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K

L

L

F

A

A

E

A

A

A

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C

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G

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G

A

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K

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A

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D

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L

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M

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D

G

E

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E

E

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H

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x
S

R

G

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D

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M

V

binding 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid: M266 (= M260), R292 (= R286), W489 (= W484), S568 (≠ A557)
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 (= V395), G401 (= G396), Q402 (= Q397), H403 (= H398), G426 (= G421), M428 (= M423), G452 (= G447), D453 (≠ E448), G454 (= G449), S455 (= S450), L483 (= L478), G484 (= G479), M485 (= M480), V486 (= V481)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T240), L247 (= L241), M248 (= M242), M263 (≠ W257), L264 (= L258), M266 (= M260), H267 (= H261), G286 (= G280), R288 (= R282), V293 (= V287), D310 (= D304), I311 (= I305), D329 (≠ P323), V330 (= V324), M405 (= M400), G423 (= G418)
binding magnesium ion: A37 (= A29), T82 (= T74), S83 (= S75), Q122 (= Q114), Y381 (≠ E376), D453 (≠ E448), M458 (= M453), Q461 (= Q456), N480 (= N475), H482 (≠ A477), K533 (= K521)

8et4A Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with amidosulfuron (see paper)
42% identity, 98% coverage: 6:564/572 of query aligns to 14:575/582 of 8et4A

query
sites
8et4A

G

G

A

A

D

D

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I

L

L

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A

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A

A

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R

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E

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A

A

A

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E

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Y

A

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A

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I

V

C

L

I

V

A

T

T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

T

L

I

V

T

S

G

G

I

L

A

A

T

D

A

A

F

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M

L

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E

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K

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H

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I

I

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E

A

A

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F

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L

A

A

A

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R

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G

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V

D

D

I

V

P

P

K

K

D

D

-

I

-

Q

M

L

T

A

T

I

P

P

N

N

E

W

R

E

Y

Q

E

A

Y

M

A

R

Y

L

P

P

K

G

K

Y

V

M

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S

L

-

R

R

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Y

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N

K

P

P

A

P

I

E

R

D

G

S

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H

A

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E

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Q

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-

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-

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V

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A

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K

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P

P

I

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I

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Y

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A

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G

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C

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-

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K

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A

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F

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V

R

E

L

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G

Y

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P

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T

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M

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Y

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L

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M

H
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H

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Y

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E

Y

A

A

N

N

M

Y

A

A

M

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E

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D

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x
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I

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x
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A

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K

A

L

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D

A

-

I

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A

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W

W

W

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E

V

W

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Q

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x
F

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H

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M

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A

A

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Q

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F

Y

Y

K

N

F

Y

D

K

K

K

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P

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R

R

Q

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W

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G

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M

G

G

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F

G

G

L

L

P

P

A

A

M

I

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G

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A

K

S

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V

T

A

H

N

P

P

D

D

D

A

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I

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L

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C

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I

I

T

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G

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x
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S

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M

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Q

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E

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Y

E

N

N

L

L

P

P

V

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K

I

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I

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L

L

L

N

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N
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x
H

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M
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M

V
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V

K

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W

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D

M

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N

F

Y

Y

E

K

S

A

R

N

H

R

A

A

E

H

S

T

Y

F

M

L

-

G

-

D

-

P

-

A

-

Q

-

E

-

D

E

E

S

I

L

F

P

P

D

N

F

M

I

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

H

I

K

P

G

A

V

A

R

R

I

V

E

T

K

K

K
|
K

E

A

D

D

L

L

E

R

T

E

K

A

L

I

K

Q

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T

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M

L

L

A

D

M

T

K

P

D

G

E

P

L

Y

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L

F

-

V

L

D

D

I

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Y

I

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C

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F

Q

E

E

H

H

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L

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M

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x
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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 (= V395), G401 (= G396), Q402 (= Q397), H403 (= H398), G426 (= G421), M428 (= M423), G452 (= G447), D453 (≠ E448), G454 (= G449), S455 (= S450), M458 (= M453), N480 (= N475), H482 (≠ A477), L483 (= L478), G484 (= G479), M485 (= M480), V486 (= V481)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T240), L247 (= L241), M248 (= M242), L264 (= L258), M266 (= M260), H267 (= H261), G286 (= G280), V287 (≠ A281), R288 (= R282), D290 (= D284), R292 (= R286), V293 (= V287), D310 (= D304), I311 (= I305), D329 (≠ P323), V330 (= V324), M405 (= M400), G423 (= G418)
binding magnesium ion: F370 (≠ Y365), D453 (≠ E448), M458 (= M453), Q461 (= Q456), N480 (= N475), H482 (≠ A477), K533 (= K521)
binding N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide: M266 (= M260), R292 (= R286), M485 (= M480), W489 (= W484), S568 (≠ A557)

5wj1A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam (see paper)
42% identity, 98% coverage: 6:564/572 of query aligns to 14:575/582 of 5wj1A

query
sites
5wj1A

G

G

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A

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E

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N

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I

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F

Y

Y

E

K

S

A

R

N

H

R

A

A

E

H

S

T

Y

F

M

L

-

G

-

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-

P

-

A

-

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-

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-

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E

E

S

I

L

F

P

P

D

N

F

M

I

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

H

I

K

P

G

A

V

A

R

R

I

V

E

T

K

K

E

A

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D

L

L

E

R

T

E

K

A

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K

Q

E

T

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M

L

L

A

D

M

T

K

P

D

G

E

P

L

Y

V

L

F

-

V

L

D

D

I

V

Y

I

V

C

D

P

R
x
H

F

Q

E

E

H

H

V

V

Y

L

P

P

M

M

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x
S

R

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G

G

S

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M

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N

D

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active site: Y33 (= Y25), G35 (= G27), G36 (= G28), A37 (= A29), S38 (≠ A30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M260), V293 (= V287), V400 (= V395), G426 (= G421), M428 (= M423), D453 (≠ E448), N480 (= N475), H482 (≠ A477), L483 (= L478), M485 (= M480), V486 (= V481), W489 (= W484), H558 (≠ R547)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T240), L247 (= L241), M248 (= M242), M263 (≠ W257), L264 (= L258), G286 (= G280), R288 (= R282), V293 (= V287), D310 (= D304), I311 (= I305), D329 (≠ P323), V330 (= V324), M405 (= M400), G423 (= G418), G424 (= G419)
binding magnesium ion: D453 (≠ E448), N480 (= N475), H482 (≠ A477)
binding 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide: M266 (= M260), D291 (= D285), R292 (= R286), M485 (= M480), W489 (= W484), S568 (≠ A557)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V395), G401 (= G396), Q402 (= Q397), H403 (= H398), M428 (= M423), D453 (≠ E448), G454 (= G449), S455 (= S450), M458 (= M453), N480 (= N475), H482 (≠ A477), L483 (= L478), G484 (= G479), M485 (= M480), V486 (= V481)

5k6tA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, propoxycarbazone-sodium (see paper)
42% identity, 98% coverage: 6:564/572 of query aligns to 14:575/582 of 5k6tA

query
sites
5k6tA

G

G

A

A

D

D

M

I

L

L

I

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E

S

A

L

L

Q

E

D

R

E

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G

G

I

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E

E

Y

T

I

V

Y

F

G

A

Y
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Y

P

P

G
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G

A
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A

A
x
S

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M

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E

I

I

Y

H

D

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A

A

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I

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R

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H

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E

Q

Q

A

G

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V

H

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M

A

A

A

D

E

G

G

Y

Y

A

A

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R

A

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S

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G

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K

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P

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T
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T

S

S

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G

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P

G

G

A

A

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T

N

N

T

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A

A

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G

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K

D

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-

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G

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T

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M

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L

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H

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Y

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E

Y

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A

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R

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I

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x
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N

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A

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Y

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Y

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F

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G

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L

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P

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G

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x
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I

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Q

E

E

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E

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N

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P

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K

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I

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x
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Y

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R

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H

R

A

A

E

H

S

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Y

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M

L

-

G

-

D

-

P

-

A

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-

E

-

D

E

E

S

I

L

F

P

P

D

N

F

M

I

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

H

I

K

P

G

A

V

A

R

R

I

V

E

T

K

K

E

A

D

D

L

L

E

R

T

E

K

A

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Q

E

T

V

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L

L

A

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M

T

K

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D

G

E

P

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Y

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L

F

-

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L

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D

I

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Y

I

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C

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x
H

F

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E

H

H

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M

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x
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active site: Y33 (= Y25), G35 (= G27), G36 (= G28), A37 (= A29), S38 (≠ A30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M260), V293 (= V287), V400 (= V395), G426 (= G421), M428 (= M423), D453 (≠ E448), N480 (= N475), H482 (≠ A477), L483 (= L478), M485 (= M480), V486 (= V481), W489 (= W484), H558 (≠ R547)
binding methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate: H267 (= H261), R292 (= R286), M485 (= M480), W489 (= W484), S568 (≠ A557)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T240), L247 (= L241), M248 (= M242), L264 (= L258), G286 (= G280), R288 (= R282), D290 (= D284), R292 (= R286), V293 (= V287), D310 (= D304), I311 (= I305), D329 (≠ P323), V330 (= V324), Q404 (= Q399), M405 (= M400), G423 (= G418)
binding magnesium ion: D453 (≠ E448), N480 (= N475), H482 (≠ A477)
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 (= V395), G401 (= G396), Q402 (= Q397), H403 (= H398), G426 (= G421), M428 (= M423), G452 (= G447), G454 (= G449), S455 (= S450), N480 (= N475), H482 (≠ A477), L483 (= L478), G484 (= G479)

5k6rA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, thiencarbazone-methyl (see paper)
42% identity, 98% coverage: 6:564/572 of query aligns to 14:575/582 of 5k6rA

query
sites
5k6rA

G

G

A

A

D

D

M

I

L

L

I

V

R

E

S

A

L

L

Q

E

D

R

E

Q

G

G

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E

Y

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Y
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Y

P

P

G
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G

A
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A

A
x
S

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A

A

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E
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E

Q

Q

A

G

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A

A

A

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E

G

G

Y

Y

A

A

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A

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G

G

K

K

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P

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C

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T

S

S

G

G

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P

G

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A

A

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T

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N

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G

I

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A

A

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A

A

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E

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R

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Y

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Y

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W

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I

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Q

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E

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Y

E

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N

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V

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K

I

V

I

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N

L

L

L

N

N

N
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x
H

L
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L

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M
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M

V
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V

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W

Q

E

D

D

M

R

N

F

Y

Y

E

K

S

A

R

N

H

R

A

A

E

H

S

T

Y

F

M

L

-

G

-

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-

P

-

A

-

Q

-

E

-

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E

E

S

I

L

F

P

P

D

N

F

M

I

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

H

I

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P

G

A

V

A

R

R

I

V

E

T

K

K

E

A

D

D

L

L

E

R

T

E

K

A

L

I

K

Q

E

T

V

M

L

L

A

D

M

T

K

P

D

G

E

P

L

Y

V

L

F

-

V

L

D

D

I

V

Y

I

V

C

D

P

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x
H

F

Q

E

E

H

H

V

V

Y

L

P

P

M

M

Q

I

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A
x
S

R

G

G

G

S

T

M

F

K

N

D

D

M

V

active site: Y33 (= Y25), G35 (= G27), G36 (= G28), A37 (= A29), S38 (≠ A30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M260), V293 (= V287), V400 (= V395), G426 (= G421), M428 (= M423), D453 (≠ E448), N480 (= N475), H482 (≠ A477), L483 (= L478), M485 (= M480), V486 (= V481), W489 (= W484), H558 (≠ R547)
binding methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate: R292 (= R286), W489 (= W484), S568 (≠ A557)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T240), L247 (= L241), M248 (= M242), L264 (= L258), M266 (= M260), G286 (= G280), R288 (= R282), R292 (= R286), V293 (= V287), D310 (= D304), I311 (= I305), G328 (= G322), D329 (≠ P323), V330 (= V324), M405 (= M400), G423 (= G418)
binding magnesium ion: D453 (≠ E448), N480 (= N475), H482 (≠ A477)
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 (= V395), G401 (= G396), Q402 (= Q397), H403 (= H398), G426 (= G421), M428 (= M423), D453 (≠ E448), G454 (= G449), S455 (= S450), M458 (= M453), N480 (= N475), H482 (≠ A477), L483 (= L478), G484 (= G479), M485 (= M480), V486 (= V481)

1z8nA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with an imidazolinone herbicide, imazaquin (see paper)
42% identity, 98% coverage: 6:564/572 of query aligns to 14:575/582 of 1z8nA

query
sites
1z8nA

G

G

A

A

D

D

M

I

L

L

I

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R

E

S

A

L

L

Q

E

D

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Q

G

G

I

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E

Y

T

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Y

F

G

A

Y
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Y

P

P

G
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G

A
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A

A
x
S

L

M

H

E

I

I

Y

H

D

Q

A

A

L

L

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R

Q

S

D

S

K

S

V

I

K

R

H

N

I

V

L

L

V

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R

R

H

H

E
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E

Q

Q

A

G

V

V

H

F

M

A

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

P

P

G

G

T

I

V

C

L

I

V

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

T

L

I

V

T

S

G

G

I

L

A

A

T

D

A

A

F

L

M

L

D

D

S

S

I

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P

M

L

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V

A

L

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Q

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I

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G

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F

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E
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E

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I

M

V

G

E

V

V

S

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R

R

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K
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K

H

H

N

N

L

Y

S

L

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H

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P

V

E

E

E

D

I

I

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I

I

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K

E

A

A

Y

F

I

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A

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C

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A

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A

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active site: Y33 (= Y25), G35 (= G27), G36 (= G28), A37 (= A29), S38 (≠ A30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M260), V293 (= V287), V400 (= V395), G426 (= G421), M428 (= M423), D453 (≠ E448), N480 (= N475), H482 (≠ A477), L483 (= L478), M485 (= M480), V486 (= V481), W489 (= W484), H558 (≠ R547)
binding 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)quinoline-3-carboxylic acid: K135 (= K127), R161 (= R153), Y191 (≠ K179), R194 (= R183), D291 (= D285), R292 (= R286), D312 (= D306), W489 (= W484), G569 (≠ R558)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G214), G224 (= G216), T246 (= T240), L247 (= L241), M248 (= M242), L264 (= L258), G265 (= G259), M266 (= M260), H267 (= H261), G286 (= G280), V287 (≠ A281), R288 (= R282), D290 (= D284), R292 (= R286), V293 (= V287), D310 (= D304), I311 (= I305), D329 (≠ P323), V330 (= V324), M405 (= M400), G423 (= G418), G424 (= G419)
binding magnesium ion: D453 (≠ E448), N480 (= N475)
binding thiamine diphosphate: V400 (= V395), G401 (= G396), Q402 (= Q397), H403 (= H398), G426 (= G421), M428 (= M423), G452 (= G447), G454 (= G449), S455 (= S450), N480 (= N475), H482 (≠ A477), L483 (= L478), G484 (= G479), M485 (= M480), V486 (= V481)

1yi1A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl (see paper)
42% identity, 98% coverage: 6:564/572 of query aligns to 14:575/582 of 1yi1A

query
sites
1yi1A

G

G

A

A

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A

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active site: Y33 (= Y25), G35 (= G27), G36 (= G28), A37 (= A29), S38 (≠ A30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M260), V293 (= V287), V400 (= V395), G426 (= G421), M428 (= M423), D453 (≠ E448), N480 (= N475), H482 (≠ A477), L483 (= L478), M485 (= M480), V486 (= V481), W489 (= W484), H558 (≠ R547)
binding methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate: D291 (= D285), R292 (= R286), W489 (= W484), S568 (≠ A557)
binding flavin-adenine dinucleotide: R161 (= R153), G223 (= G215), G224 (= G216), T246 (= T240), L247 (= L241), M248 (= M242), M263 (≠ W257), L264 (= L258), G265 (= G259), M266 (= M260), H267 (= H261), G286 (= G280), V287 (≠ A281), R288 (= R282), D290 (= D284), V293 (= V287), D310 (= D304), I311 (= I305), D329 (≠ P323), V330 (= V324), M405 (= M400), G423 (= G418), G424 (= G419)
binding magnesium ion: D453 (≠ E448), N480 (= N475), H482 (≠ A477)

1yi0A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, sulfometuron methyl (see paper)
42% identity, 98% coverage: 6:564/572 of query aligns to 14:575/582 of 1yi0A

query
sites
1yi0A

G

G

A

A

D

D

M

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L

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A

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x
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G

G

A

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G

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A

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P

K
|
K

D

D

-

I

-

Q

M

L

T

A

T

I

P

P

N

N

E

W

R

E

Y

Q

E

A

Y

M

A

R

Y

L

P

P

K

G

K

Y

V

M

K

S

L

-

R

R

S

M

Y

P

N

K

P

P

A

P

I

E

R

D

G

S

H

H

A

L

G

E

Q

Q

I

I

K

-

A

-

V

V

D

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M

L

M

I

L

S

A

E

A

S

K

K

R

K

P

P

I

V

I

L

Y

Y

A

V

G
|
G

V

C

V

L

L

-

G

-

K

N

A

S

S

S

D

D

Q

E

L

L

T

G

E

R

L

F

V

V

R

E

L

L

L

T

G

G

Y

I

P

P

I

V

T

A

N

S

T
|
T

L
|
L

M
|
M

G

G

I

L

G

G

C

S

Y

Y

P

P

A

C

S

D

D

D

K

E

Q

L

H

S

L

L

G

H

W

M

L
|
L

G
|
G

M
|
M

H
|
H

G

G

T

T

Y

V

E

Y

A

A

N

N

M

Y

A

A

M

V

H

E

H

H

S

S

D

D

L

L

I

L

L

L

C

A

V

F

G
|
G

A
x
V

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

N

G

A

K

T

L

E

E

K

A

F

F

C

A

P

S

G

R

A

A

R

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

A

A

S

E

I

I

S

G

K

K

T

N

V

K

D

T

A

P

D

H

V

V

P

S

I

V

V

C

G
|
G

P
x
D

V
|
V

D

K

A

L

V

A

L

L

K

Q

E

G

M

M

L

N

S

K

L

V

V

L

K

E

E

N

A

R

N

A

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E

K

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P

L

D

K

A

L

D

D

A

-

I

F

A

G

S

V

W

W

W

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K

N

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I

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K

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A

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L

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G

G

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I

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S

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|
V

G

G

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Q

H

H

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M
|
M

F

W

A

A

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Q

Y

F

Y

Y

K

N

F

Y

D

K

K

K

P

P

N

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R

Q

W

W

I

L

N

S

S

S

G
|
G

L

L

G
|
G

T

A

M
|
M

G

G

F

F

G

G

L

L

P

P

A

A

M

I

G

G

V

A

K

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A

H

N

P

P

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D

D

A

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I

V

V

L

V

C

D

I

I

T

D

G

G

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x
D

G

G

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S

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F

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I

M

M

N

N

I

V

Q

Q

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E

L

L

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T

T

C

I

K

R

Q

V

Y

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N

N

L

L

P

P

V

V

K

K

I

V

I

L

N

L

L

L

N

N

N
|
N

Q

Q

A
x
H

L
|
L

G

G

M
|
M

V
|
V

K

M

Q

Q

W
|
W

Q

E

D

D

M

R

N

F

Y

Y

E

K

S

A

R

N

H

R

A

A

E

H

S

T

Y

F

M

L

-

G

-

D

-

P

-

A

-

Q

-

E

-

D

E

E

S

I

L

F

P

P

D

N

F

M

I

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

H

I

K

P

G

A

V

A

R

R

I

V

E

T

K

K

E

A

D

D

L

L

E

R

T

E

K

A

L

I

K

Q

E

T

V

M

L

L

A

D

M

T

K

P

D

G

E

P

L

Y

V

L

F

-

V

L

D

D

I

V

Y

I

V

C

D

P

R
x
H

F

Q

E

E

H

H

V

V

Y

L

P

P

M

M

Q

I

V

P

A
x
S

R

G

G

G

S

T

M

F

K

N

D

D

M

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active site: Y33 (= Y25), G35 (= G27), G36 (= G28), A37 (= A29), S38 (≠ A30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M260), V293 (= V287), V400 (= V395), G426 (= G421), M428 (= M423), D453 (≠ E448), N480 (= N475), H482 (≠ A477), L483 (= L478), M485 (= M480), V486 (= V481), W489 (= W484), H558 (≠ R547)
binding methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D291 (= D285), R292 (= R286), W489 (= W484), S568 (≠ A557)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T240), L247 (= L241), M248 (= M242), L264 (= L258), G265 (= G259), M266 (= M260), H267 (= H261), G286 (= G280), V287 (≠ A281), R288 (= R282), D290 (= D284), R292 (= R286), V293 (= V287), D310 (= D304), I311 (= I305), G328 (= G322), D329 (≠ P323), V330 (= V324), M405 (= M400), G423 (= G418), G424 (= G419)
binding magnesium ion: D453 (≠ E448), N480 (= N475), H482 (≠ A477)

1yhzA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron (see paper)
42% identity, 98% coverage: 6:564/572 of query aligns to 14:575/582 of 1yhzA

query
sites
1yhzA

G

G

A

A

D

D

M

I

L

L

I

V

R

E

S

A

L

L

Q

E

D

R

E

Q

G

G

I

V

E

E

Y

T

I

V

Y

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

A
x
S

L

M

H

E

I

I

Y

H

D

Q

A

A

L

L

F

T

R

R

Q

S

D

S

K

S

V

I

K

R

H

N

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

A

G

V

V

H

F

M

A

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

P

P

G

G

T

I

V

C

L

I

V

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

T

L

I

V

T

S

G

G

I

L

A

A

T

D

A

A

F

L

M

L

D

D

S

S

I

V

P

P

M

L

V

V

V

A

L

I

C

T

G

G

Q

Q

V

V

A

P

S

R

T

R

L

M

I

I

G

G

E

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

T

T

D

P

M

I

M

V

G

E

V

V

S

T

R

R

P

S

V

I

V

T

K

K

H

H

N

N

L

Y

S

L

V

V

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M

H

D

P

V

E

E

E

D

I

I

P

P

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R

I

I

R

E

K

E

A

A

Y

F

I

L

A

A

A

T

T

S

G

G

R
|
R

P

P

G

G

P

P

V

V

V

L

V

V

D

D

I

V

P

P

K
|
K

D

D

-

I

-

Q

M

L

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A

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I

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N

N

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W

R

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Y

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A

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M

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L

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A

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A

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K

K

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P

I

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I

L

Y

Y

A

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G

G

G
|
G

V

C

V

L

L

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G

-

K

N

A

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S

S

D

D

Q

E

L

L

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V

V

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L

L

L

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G

G

Y

I

P

P

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A

N

S

T
|
T

L
|
L

M
|
M

G

G

I

L

G

G

C

S

Y

Y

P

P

A

C

S

D

D

D

K

E

Q

L

H

S

L

L

G

H

W

M

L
|
L

G

G

M
|
M

H
|
H

G

G

T

T

Y

V

E

Y

A

A

N

N

M

Y

A

A

M

V

H

E

H

H

S

S

D

D

L

L

I

L

L

L

C

A

V

F

G
|
G

A
x
V

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

N

G

A

K

T

L

E

E

K

A

F

F

C

A

P

S

G

R

A

A

R

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

A

A

S

E

I

I

S

G

K

K

T

N

V

K

D

T

A

P

D

H

V

V

P

S

I

V

V

C

G

G

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x
D

V
|
V

D

K

A

L

V

A

L

L

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G

M

M

L

N

S

K

L

V

V

L

K

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N

A

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N

A

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L

D

K

A

L

D

D

A

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I

F

A

G

S

V

W

W

W

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K

N

Q

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I

L

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N

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W

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K

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Y

F

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A

I

I

K

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P

P

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Q

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Y

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I

I

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M

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L

L

C

D

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L

L

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D

G

G

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K

A

A

F

I

V

I

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S

S

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D

G

V
|
V

G

G

Q

Q

H

H

Q
|
Q

M
|
M

F

W

A

A

Q

Q

Y

F

Y

Y

K

N

F

Y

D

K

K

K

P

P

N

R

R

Q

W

W

I

L

N

S

S

S

G
|
G

L

L

G
|
G

T

A

M
|
M

G

G

F

F

G

G

L

L

P

P

A

A

M

I

G

G

V

A

K

S

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N

P

P

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D

D

A

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I

V

V

L

V

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D

I

I

T

D

G

G

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x
D

G

G

S

S

I

F

Q

I

M

M

N

N

I

V

Q

Q

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E

L

L

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A

T

T

C

I

K

R

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Y

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N

N

L

L

P

P

V

V

K

K

I

V

I

L

N

L

L

L

N

N

N
|
N

Q

Q

A
x
H

L
|
L

G

G

M
|
M

V
|
V

K

M

Q

Q

W
|
W

Q

E

D

D

M

R

N

F

Y

Y

E

K

S

A

R

N

H

R

A

A

E

H

S

T

Y

F

M

L

-

G

-

D

-

P

-

A

-

Q

-

E

-

D

E

E

S

I

L

F

P

P

D

N

F

M

I

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

H

I

K

P

G

A

V

A

R

R

I

V

E

T

K

K

E

A

D

D

L

L

E

R

T

E

K

A

L

I

K

Q

E

T

V

M

L

L

A

D

M

T

K

P

D

G

E

P

L

Y

V

L

F

-

V

L

D

D

I

V

Y

I

V

C

D

P

R
x
H

F

Q

E

E

H

H

V

V

Y

L

P

P

M

M

Q

I

V

P

A
x
S

R

G

G

G

S

T

M

F

K

N

D

D

M

V

active site: Y33 (= Y25), G35 (= G27), G36 (= G28), A37 (= A29), S38 (≠ A30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M260), V293 (= V287), V400 (= V395), G426 (= G421), M428 (= M423), D453 (≠ E448), N480 (= N475), H482 (≠ A477), L483 (= L478), M485 (= M480), V486 (= V481), W489 (= W484), H558 (≠ R547)
binding 1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea: D291 (= D285), R292 (= R286), M485 (= M480), W489 (= W484), S568 (≠ A557)
binding flavin-adenine dinucleotide: R161 (= R153), G223 (= G215), G224 (= G216), T246 (= T240), L247 (= L241), M248 (= M242), L264 (= L258), M266 (= M260), H267 (= H261), G286 (= G280), V287 (≠ A281), R288 (= R282), D290 (= D284), V293 (= V287), D310 (= D304), I311 (= I305), D329 (≠ P323), V330 (= V324), Q404 (= Q399), M405 (= M400), G423 (= G418), G424 (= G419)
binding magnesium ion: D453 (≠ E448), N480 (= N475), H482 (≠ A477)

1yhyA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, metsulfuron methyl (see paper)
42% identity, 98% coverage: 6:564/572 of query aligns to 14:575/582 of 1yhyA

query
sites
1yhyA

G

G

A

A

D

D

M

I

L

L

I

V

R

E

S

A

L

L

Q

E

D

R

E

Q

G

G

I

V

E

E

Y

T

I

V

Y

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

A
x
S

L

M

H

E

I

I

Y

H

D

Q

A

A

L

L

F

T

R

R

Q

S

D

S

K

S

V

I

K

R

H

N

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

A

G

V

V

H

F

M

A

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

P

P

G

G

T

I

V

C

L

I

V

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

T

L

I

V

T

S

G

G

I

L

A

A

T

D

A

A

F

L

M

L

D

D

S

S

I

V

P

P

M

L

V

V

V

A

L

I

C

T

G

G

Q

Q

V

V

A

P

S

R

T

R

L

M

I

I

G

G

E

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

T

T

D

P

M

I

M

V

G

E

V

V

S

T

R

R

P

S

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I

V

T

K

K

H

H

N

N

L

Y

S

L

V

V

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M

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E

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I

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P

P

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I

I

R

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K

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A

A

Y

F

I

L

A

A

A

T

T

S

G

G

R
|
R

P

P

G

G

P

P

V

V

V

L

V

V

D

D

I

V

P

P

K
|
K

D

D

-

I

-

Q

M

L

T

A

T

I

P

P

N

N

E

W

R

E

Y

Q

E

A

Y

M

A

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Y

L

P

P

K

G

K

Y

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M

Y

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K

P

P

A

P

I

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G

S

H

H

A

L

G

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Q

Q

I

I

K

-

A

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V

V

D

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M

L

M

I

L

S

A

E

A

S

K

K

R

K

P

P

I

V

I

L

Y

Y

A

V

G
|
G

V

C

V

L

L

-

G

-

K

N

A

S

S

S

D

D

Q

E

L

L

T

G

E

R

L

F

V

V

R

E

L

L

L

T

G

G

Y

I

P

P

I

V

T

A

N

S

T
|
T

L
|
L

M
|
M

G

G

I

L

G

G

C

S

Y

Y

P

P

A

C

S

D

D

D

K

E

Q

L

H

S

L

L

G

H

W

M

L
|
L

G
|
G

M
|
M

H
|
H

G

G

T

T

Y

V

E

Y

A

A

N

N

M

Y

A

A

M

V

H

E

H

H

S

S

D

D

L

L

I

L

L

L

C

A

V

F

G
|
G

A
x
V

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

N

G

A

K

T

L

E

E

K

A

F

F

C

A

P

S

G

R

A

A

R

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

A

A

S

E

I

I

S

G

K

K

T

N

V

K

D

T

A

P

D

H

V

V

P

S

I

V

V

C

G

G

P
x
D

V
|
V

D

K

A

L

V

A

L

L

K

Q

E

G

M

M

L

N

S

K

L

V

V

L

K

E

E

N

A

R

N

A

E

E

K

E

P

L

D

K

A

L

D

D

A

-

I

F

A

G

S

V

W

W

W

R

K

N

Q

E

I

L

D

N

E

V

W

Q

R

K

A

Q

F

K

H

F

G

P

M

L

R

S

Y

F

E

K

T

T

S

F

P

G

D

E

V

A

I

I

K

P

P

P

Q

Q

E

Y

V

A

I

I

E

K

M

V

L

L

C

D

R

E

L

L

T

T

N

D

G

G

E

K

A

A

F

I

V

I

T

S

S

T

D

G

V
|
V

G

G

Q

Q

H

H

Q
|
Q

M
|
M

F

W

A

A

Q

Q

Y

F

Y

Y

K

N

F

Y

D

K

K

K

P

P

N

R

R

Q

W

W

I

L

N

S

S

S

G
|
G

L

L

G
|
G

T

A

M
|
M

G

G

F

F

G

G

L

L

P

P

A

A

M

I

G

G

V

A

K

S

L

V

T

A

H

N

P

P

D

D

D

A

E

I

V

V

L

V

C

D

I

I

T

D

G

G

E
x
D

G

G

S

S

I

F

Q

I

M

M

N

N

I

V

Q

Q

E

E

L

L

S

A

T

T

C

I

K

R

Q

V

Y

E

N

N

L

L

P

P

V

V

K

K

I

V

I

L

N

L

L

L

N

N

N
|
N

Q

Q

A
x
H

L
|
L

G

G

M
|
M

V
|
V

K

M

Q

Q

W
|
W

Q

E

D

D

M

R

N

F

Y

Y

E

K

S

A

R

N

H

R

A

A

E

H

S

T

Y

F

M

L

-

G

-

D

-

P

-

A

-

Q

-

E

-

D

E

E

S

I

L

F

P

P

D

N

F

M

I

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

H

I

K

P

G

A

V

A

R

R

I

V

E

T

K

K

E

A

D

D

L

L

E

R

T

E

K

A

L

I

K

Q

E

T

V

M

L

L

A

D

M

T

K

P

D

G

E

P

L

Y

V

L

F

-

V

L

D

D

I

V

Y

I

V

C

D

P

R
x
H

F

Q

E

E

H

H

V

V

Y

L

P

P

M

M

Q

I

V

P

A
x
S

R

G

G

G

S

T

M

F

K

N

D

D

M

V

active site: Y33 (= Y25), G35 (= G27), G36 (= G28), A37 (= A29), S38 (≠ A30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M260), V293 (= V287), V400 (= V395), G426 (= G421), M428 (= M423), D453 (≠ E448), N480 (= N475), H482 (≠ A477), L483 (= L478), M485 (= M480), V486 (= V481), W489 (= W484), H558 (≠ R547)
binding methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D291 (= D285), R292 (= R286), V486 (= V481), W489 (= W484), S568 (≠ A557)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T240), L247 (= L241), M248 (= M242), L264 (= L258), G265 (= G259), M266 (= M260), H267 (= H261), G286 (= G280), V287 (≠ A281), R288 (= R282), D290 (= D284), V293 (= V287), D310 (= D304), I311 (= I305), D329 (≠ P323), V330 (= V324), Q404 (= Q399), M405 (= M400), G423 (= G418), G424 (= G419)
binding magnesium ion: D453 (≠ E448), N480 (= N475), H482 (≠ A477)

1ybhA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide chlorimuron ethyl (see paper)
42% identity, 98% coverage: 6:564/572 of query aligns to 14:575/582 of 1ybhA

query
sites
1ybhA

G

G

A

A

D

D

M

I

L

L

I

V

R

E

S

A

L

L

Q

E

D

R

E

Q

G

G

I

V

E

E

Y

T

I

V

Y

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

A
x
S

L

M

H

E

I

I

Y

H

D

Q

A

A

L

L

F

T

R

R

Q

S

D

S

K

S

V

I

K

R

H

N

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

A

G

V

V

H

F

M

A

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

P

P

G

G

T

I

V

C

L

I

V

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

T

L

I

V

T

S

G

G

I

L

A

A

T

D

A

A

F

L

M

L

D

D

S

S

I

V

P

P

M

L

V

V

V

A

L

I

C

T

G

G

Q

Q

V

V

A

P

S

R

T

R

L

M

I

I

G

G

E

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

T

T

D

P

M

I

M

V

G

E

V

V

S

T

R

R

P

S

V

I

V

T

K

K

H

H

N

N

L

Y

S

L

V

V

R

M

H

D

P

V

E

E

E

D

I

I

P

P

E

R

I

I

R

E

K

E

A

A

Y

F

I

L

A

A

A

T

T

S

G

G

R
|
R

P

P

G

G

P

P

V

V

V

L

V

V

D

D

I

V

P

P

K
|
K

D

D

-

I

-

Q

M

L

T

A

T

I

P

P

N

N

E

W

R

E

Y

Q

E

A

Y

M

A

R

Y

L

P

P

K

G

K

Y

V

M

K

S

L

-

R

R

S

M

Y

P

N

K

P

P

A

P

I

E

R

D

G

S

H

H

A

L

G

E

Q

Q

I

I

K

-

A

-

V

V

D

R

M

L

M

I

L

S

A

E

A

S

K

K

R

K

P

P

I

V

I

L

Y

Y

A

V

G

G

G
|
G

V

C

V

L

L

-

G

-

K

N

A

S

S

S

D

D

Q

E

L

L

T

G

E

R

L

F

V

V

R

E

L

L

L

T

G

G

Y

I

P

P

I

V

T

A

N

S

T
|
T

L
|
L

M
|
M

G

G

I

L

G

G

C

S

Y

Y

P

P

A

C

S

D

D

D

K

E

Q

L

H

S

L

L

G

H

W

M

L
|
L

G

G

M
|
M

H
|
H

G

G

T

T

Y

V

E

Y

A

A

N

N

M

Y

A

A

M

V

H

E

H

H

S

S

D

D

L

L

I

L

L

L

C

A

V

F

G
|
G

A
x
V

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

N

G

A

K

T

L

E

E

K

A

F

F

C

A

P

S

G

R

A

A

R

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

A

A

S

E

I

I

S

G

K

K

T

N

V

K

D

T

A

P

D

H

V

V

P

S

I

V

V

C

G

G

P
x
D

V
|
V

D

K

A

L

V

A

L

L

K

Q

E

G

M

M

L

N

S

K

L

V

V

L

K

E

E

N

A

R

N

A

E

E

K

E

P

L

D

K

A

L

D

D

A

-

I

F

A

G

S

V

W

W

W

R

K

N

Q

E

I

L

D

N

E

V

W

Q

R

K

A

Q

F

K

H

F

G

P

M

L

R

S

Y

F

E

K

T

T

S

F

P

G

D

E

V

A

I

I

K

P

P

P

Q

Q

E

Y

V

A

I

I

E

K

M

V

L

L

C

D

R

E

L

L

T

T

N

D

G

G

E

K

A

A

F

I

V

I

T

S

S

T

D

G

V
|
V

G

G

Q

Q

H

H

Q
|
Q

M
|
M

F

W

A

A

Q

Q

Y

F

Y

Y

K

N

F

Y

D

K

K

K

P

P

N

R

R

Q

W

W

I

L

N

S

S

S

G
|
G

L

L

G
|
G

T

A

M
|
M

G

G

F

F

G

G

L

L

P

P

A

A

M

I

G

G

V

A

K

S

L

V

T

A

H

N

P

P

D

D

D

A

E

I

V

V

L

V

C

D

I

I

T

D

G

G

E
x
D

G

G

S

S

I

F

Q

I

M

M

N

N

I

V

Q

Q

E

E

L

L

S

A

T

T

C

I

K

R

Q

V

Y

E

N

N

L

L

P

P

V

V

K

K

I

V

I

L

N

L

L

L

N

N

N
|
N

Q

Q

A
x
H

L
|
L

G

G

M
|
M

V
|
V

K

M

Q

Q

W
|
W

Q

E

D

D

M

R

N

F

Y

Y

E

K

S

A

R

N

H

R

A

A

E

H

S

T

Y

F

M

L

-

G

-

D

-

P

-

A

-

Q

-

E

-

D

E

E

S

I

L

F

P

P

D

N

F

M

I

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

H

I

K

P

G

A

V

A

R

R

I

V

E

T

K

K

E

A

D

D

L

L

E

R

T

E

K

A

L

I

K

Q

E

T

V

M

L

L

A

D

M

T

K

P

D

G

E

P

L

Y

V

L

F

-

V

L

D

D

I

V

Y

I

V

C

D

P

R
x
H

F

Q

E

E

H

H

V

V

Y

L

P

P

M

M

Q

I

V

P

A
x
S

R

G

G

G

S

T

M

F

K

N

D

D

M

V

active site: Y33 (= Y25), G35 (= G27), G36 (= G28), A37 (= A29), S38 (≠ A30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M260), V293 (= V287), V400 (= V395), G426 (= G421), M428 (= M423), D453 (≠ E448), N480 (= N475), H482 (≠ A477), L483 (= L478), M485 (= M480), V486 (= V481), W489 (= W484), H558 (≠ R547)
binding 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester: M266 (= M260), D291 (= D285), R292 (= R286), M485 (= M480), W489 (= W484), S568 (≠ A557)
binding flavin-adenine dinucleotide: R161 (= R153), G223 (= G215), G224 (= G216), T246 (= T240), L247 (= L241), M248 (= M242), L264 (= L258), M266 (= M260), H267 (= H261), G286 (= G280), V287 (≠ A281), R288 (= R282), D290 (= D284), V293 (= V287), D310 (= D304), I311 (= I305), D329 (≠ P323), V330 (= V324), Q404 (= Q399), M405 (= M400), G423 (= G418), G424 (= G419)
binding magnesium ion: D453 (≠ E448), N480 (= N475), H482 (≠ A477)

5k3sA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, bispyribac-sodium (see paper)
42% identity, 98% coverage: 6:564/572 of query aligns to 14:575/583 of 5k3sA

query
sites
5k3sA

G

G

A

A

D

D

M

I

L

L

I

V

R

E

S

A

L

L

Q

E

D

R

E

Q

G

G

I

V

E

E

Y

T

I

V

Y

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

A
x
S

L

M

H

E

I

I

Y

H

D

Q

A

A

L

L

F

T

R

R

Q

S

D

S

K

S

V

I

K

R

H

N

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

A

G

V

V

H

F

M

A

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

P

P

G

G

T

I

V

C

L

I

V

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

T

L

I

V

T

S

G

G

I

L

A

A

T

D

A

A

F

L

M

L

D

D

S

S

I

V

P

P

M

L

V

V

V

A

L

I

C

T

G

G

Q

Q

V

V

A

P

S

R

T

R

L

M

I

I

G

G

E

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

T

T

D

P

M

I

M

V

G

E

V

V

S

T

R

R

P

S

V

I

V

T

K

K

H

H

N

N

L

Y

S

L

V

V

R

M

H

D

P

V

E

E

E

D

I

I

P

P

E

R

I

I

R

E

K

E

A

A

Y

F

I

L

A

A

A

T

T

S

G

G

R
|
R

P

P

G

G

P

P

V

V

V

L

V

V

D

D

I

V

P

P

K
|
K

D

D

-

I

-

Q

M

L

T

A

T

I

P

P

N

N

E

W

R

E

Y

Q

E

A

Y

M

A

R

Y

L

P

P

K

G

K

Y

V

M

K

S

L

-

R

R

S

M

Y

P

N

K

P

P

A

P

I

E

R

D

G

S

H

H

A

L

G

E

Q

Q

I

I

K

-

A

-

V

V

D

R

M

L

M

I

L

S

A

E

A

S

K

K

R

K

P

P

I

V

I

L

Y

Y

A

V

G
|
G

V

C

V

L

L

-

G

-

K

N

A

S

S

S

D

D

Q

E

L

L

T

G

E

R

L

F

V

V

R

E

L

L

L

T

G

G

Y

I

P

P

I

V

T

A

N

S

T
|
T

L
|
L

M
|
M

G

G

I

L

G

G

C

S

Y

Y

P

P

A

C

S

D

D

D

K

E

Q

L

H

S

L

L

G

H

W

M

L
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L

G

G

M
|
M

H

H

G

G

T

T

Y

V

E

Y

A

A

N

N

M

Y

A

A

M

V

H

E

H

H

S

S

D

D

L

L

I

L

L

L

C

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V

F

G
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G

A

V

R
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R

F

F

D
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D

D

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R

V
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V

T

T

N

G

A

K

T

L

E

E

K

A

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C

A

P

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G

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A

A

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K

I

I

I

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H

H

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D

I
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I

D

D

P

S

A

A

S

E

I

I

S

G

K

K

T

N

V

K

D

T

A

P

D

H

V

V

P

S

I

V

V

C

G

G

P
x
D

V
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V

D

K

A

L

V

A

L

L

K

Q

E

G

M

M

L

N

S

K

L

V

V

L

K

E

E

N

A

R

N

A

E

E

K

E

P

L

D

K

A

L

D

D

A

-

I

F

A

G

S

V

W

W

W

R

K

N

Q

E

I

L

D

N

E

V

W

Q

R

K

A

Q

F

K

H

F

G

P

M

L

R

S

Y

F

E

K

T

T

S

F

P

G

D

E

V

A

I

I

K

P

P

P

Q

Q

E

Y

V

A

I

I

E

K

M

V

L

L

C

D

R

E

L

L

T

T

N

D

G

G

E

K

A

A

F

I

V

I

T

S

S

T

D

G

V
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V

G
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G

Q
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Q

H
|
H

Q

Q

M
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M

F

W

A

A

Q

Q

Y

F

Y

Y

K

N

F

Y

D

K

K

K

P

P

N

R

R

Q

W

W

I

L

N

S

S

S

G
|
G

G

G

L

L

G
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G

T

A

M
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M

G

G

F

F

G

G

L

L

P

P

A

A

M

I

G

G

V

A

K

S

L

V

T

A

H

N

P

P

D

D

D

A

E

I

V

V

L

V

C

D

I

I

T

D

G

G

E
x
D

G
|
G

S
|
S

I

F

Q

I

M

M

N

N

I

V

Q

Q

E

E

L

L

S

A

T

T

C

I

K

R

Q

V

Y

E

N

N

L

L

P

P

V

V

K

K

I

V

I

L

N

L

L

L

N

N

N
|
N

Q

Q

A
x
H

L
|
L

G
|
G

M
|
M

V
|
V

K

M

Q

Q

W
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W

Q

E

D

D

M

R

N

F

Y

Y

E

K

S

A

R

N

H

R

A

A

E

H

S

T

Y

F

M

L

-

G

-

D

-

P

-

A

-

Q

-

E

-

D

E

E

S

I

L

F

P

P

D

N

F

M

I

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

H

I

K

P

G

A

V

A

R

R

I

V

E

T

K

K

E

A

D

D

L

L

E

R

T

E

K

A

L

I

K

Q

E

T

V

M

L

L

A

D

M

T

K

P

D

G

E

P

L

Y

V

L

F

-

V

L

D

D

I

V

Y

I

V

C

D

P

R
x
H

F

Q

E

E

H

H

V

V

Y

L

P

P

M

M

Q

I

V

P

A

S

R
x
G

G

G

S

T

M

F

K

N

D

D

M

V

active site: Y33 (= Y25), G35 (= G27), G36 (= G28), A37 (= A29), S38 (≠ A30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M260), V293 (= V287), V400 (= V395), G426 (= G421), M428 (= M423), D453 (≠ E448), N480 (= N475), H482 (≠ A477), L483 (= L478), M485 (= M480), V486 (= V481), W489 (= W484), H558 (≠ R547)
binding 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid: R292 (= R286), M485 (= M480), W489 (= W484), G569 (≠ R558)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T240), L247 (= L241), M248 (= M242), L264 (= L258), M266 (= M260), G286 (= G280), R288 (= R282), D290 (= D284), V293 (= V287), D310 (= D304), I311 (= I305), D329 (≠ P323), V330 (= V324), M405 (= M400), G423 (= G418)
binding magnesium ion: D453 (≠ E448), N480 (= N475), H482 (≠ A477)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V395), G401 (= G396), Q402 (= Q397), H403 (= H398), G426 (= G421), M428 (= M423), D453 (≠ E448), G454 (= G449), S455 (= S450), N480 (= N475), H482 (≠ A477), L483 (= L478), G484 (= G479), M485 (= M480), V486 (= V481)

3ea4A Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron-ester (see paper)
42% identity, 99% coverage: 6:572/572 of query aligns to 13:582/582 of 3ea4A

query
sites
3ea4A

G

G

A

A

D

D

M

I

L

L

I

V

R

E

S

A

L

L

Q

E

D

R

E

Q

G

G

I

V

E

E

Y

T

I

V

Y

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

A
x
S

L

M

H

E

I

I

Y

H

D

Q

A

A

L

L

F

T

R

R

Q

S

D

S

K

S

V

I

K

R

H

N

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

A

G

V

V

H

F

M

A

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

P

P

G

G

T

I

V

C

L

I

V

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

T

L

I

V

T

S

G

G

I

L

A

A

T

D

A

A

F

L

M

L

D

D

S

S

I

V

P

P

M

L

V

V

V

A

L

I

C

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G

G

Q

Q

V

V

A

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S

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T

R

L

M

I

I

G

G

E

T

D

D

A

A

F
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F

Q
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Q

E
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E

T

T

D

P

M

I

M

V

G

E

V

V

S

T

R

R

P

S

V

I

V

T

K

K

H

H

N

N

L

Y

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L

V

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R

M

H

D

P

V

E

E

E

D

I

I

P

P

E

R

I

I

R

E

K

E

A

A

Y

F

I

L

A

A

A

T

T

S

G

G

R
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R

P

P

G

G

P

P

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V

V

L

V

V

D

D

I

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K
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K

D

D

-

I

-

Q

M

L

T

A

T

I

P

P

N

N

E

W

R

E

Y

Q

E

A

Y

M

A

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Y

L

P

P

K

G

K

Y

V

M

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L

-

R

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P

P

A

P

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E

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D

G

S

H

H

A

L

G

E

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Q

I

I

K

-

A

-

V

V

D

R

M

L

M

I

L

S

A

E

A

S

K

K

R

K

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P

I

V

I

L

Y

Y

A

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G
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G

V

C

V

L

L

-

G

-

K

N

A

S

S

S

D

D

Q

E

L

L

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G

E

R

L

F

V

V

R

E

L

L

L

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G

Y

I

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P

I

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T

A

N

T

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T

L
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L

M
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M

G

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G

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Y

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L

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G

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H
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H

G

G

T

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Y

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Y

A

A

N

N

M

Y

A

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G

A

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D

I
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I

D

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H

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I

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C

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G

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x
D

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V

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A

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L

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E

G

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M

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N

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N

A

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D

K

A

L

D

D

A

-

I

F

A

G

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W

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N

E

V

W

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A

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Q

E

Y

V

A

I

I

E

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V

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L

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E

L

L

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T

N

D

G

G

E

K

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D

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V

G
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G

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Q

H
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H

Q

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M
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M

F

W

A

A

Q

Q

Y

F

Y

Y

K

N

F

Y

D

K

K

K

P

P

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W

W

I

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G

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M

G

G

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F

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G

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L

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P

A

A

M

I

G

G

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A

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S

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D

D

D

A

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I

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V

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V

C

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G
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G

E
x
D

G
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G

S
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S

I

F

Q

I

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M

N

N

I

V

Q

Q

E

E

L

L

S

A

T

T

C

I

K

R

Q

V

Y

E

N

N

L

L

P

P

V

V

K

K

I

V

I

L

N

L

L

L

N

N

N
|
N

Q

Q

A
x
H

L
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L

G
|
G

M
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M

V
|
V

K

M

Q

Q

W
|
W

Q

E

D

D

M

R

N

F

Y

Y

E

K

S

A

R

N

H

R

A

A

E

H

S

T

Y

F

M

L

-

G

-

D

-

P

-

A

-

Q

-

E

-

D

E

E

S

I

L

F

P

P

D

N

F

M

I

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

H

I

K

P

G

A

V

A

R

R

I

V

E

T

K

K

E

A

D

D

L

L

E

R

T

E

K

A

L

I

K

Q

E

T

V

M

L

L

A

D

M

T

K

P

D

G

E

P

L

Y

V

L

F

-

V

L

D

D

I

V

Y

I

V

C

D

P

R
x
H

F

Q

E

E

H

H

V

V

Y

L

P

P

M

M

Q

I

V

P

A
x
S

R

G

G

G

S

T

M

F

K

N

D

D

M

V

W

I

L

T

S

E

K

G

T

D

E

G

R

R

V

I

active site: Y32 (= Y25), G34 (= G27), G35 (= G28), A36 (= A29), S37 (≠ A30), E58 (= E51), T81 (= T74), F120 (= F113), Q121 (= Q114), E122 (= E115), K170 (= K163), M265 (= M260), V292 (= V287), V399 (= V395), G425 (= G421), M427 (= M423), D452 (≠ E448), N479 (= N475), H481 (≠ A477), L482 (= L478), M484 (= M480), V485 (= V481), W488 (= W484), H557 (≠ R547)
binding methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate: D290 (= D285), R291 (= R286), W488 (= W484), S567 (≠ A557)
binding flavin-adenine dinucleotide-n5-isobutyl ketone: R160 (= R153), G221 (= G214), G222 (= G215), G223 (= G216), T245 (= T240), L246 (= L241), M247 (= M242), L263 (= L258), G264 (= G259), M265 (= M260), H266 (= H261), G285 (= G280), R287 (= R282), D289 (= D284), R291 (= R286), D309 (= D304), I310 (= I305), G327 (= G322), D328 (≠ P323), V329 (= V324), M404 (= M400), G422 (= G418)
binding magnesium ion: D452 (≠ E448), N479 (= N475), H481 (≠ A477)
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 (= V395), G400 (= G396), Q401 (= Q397), H402 (= H398), M427 (= M423), G451 (= G447), D452 (≠ E448), G453 (= G449), S454 (= S450), N479 (= N475), H481 (≠ A477), L482 (= L478), G483 (= G479), M484 (= M480), V485 (= V481)

3e9yA Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron (see paper)
42% identity, 99% coverage: 6:572/572 of query aligns to 13:582/582 of 3e9yA

query
sites
3e9yA

G

G

A

A

D

D

M

I

L

L

I

V

R

E

S

A

L

L

Q

E

D

R

E

Q

G

G

I

V

E

E

Y

T

I

V

Y

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

A
x
S

L

M

H

E

I

I

Y

H

D

Q

A

A

L

L

F

T

R

R

Q

S

D

S

K

S

V

I

K

R

H

N

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

A

G

V

V

H

F

M

A

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

P

P

G

G

T

I

V

C

L

I

V

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

T

L

I

V

T

S

G

G

I

L

A

A

T

D

A

A

F

L

M

L

D

D

S

S

I

V

P

P

M

L

V

V

V

A

L

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G

G

Q

Q

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V

A

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S

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R

L

M

I

I

G

G

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T

D

D

A

A

F
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F

Q
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Q

E
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E

T

T

D

P

M

I

M

V

G

E

V

V

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T

R

R

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S

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I

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K

K

H

H

N

N

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H

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P

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E

E

E

D

I

I

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I

I

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E

K

E

A

A

Y

F

I

L

A

A

A

T

T

S

G

G

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R

P

P

G

G

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P

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V

V

L

V

V

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D

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K
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K

D

D

-

I

-

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M

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A

T

I

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P

N

N

E

W

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Y

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E

A

Y

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A

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Y

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G

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S

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H

A

L

G

E

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Q

I

I

K

-

A

-

V

V

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M

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M

I

L

S

A

E

A

S

K

K

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K

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P

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I

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Y

Y

A

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G
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G

V

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L

L

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G

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K

N

A

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D

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E

L

L

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R

L

F

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V

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E

L

L

L

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G

G

Y

I

P

P

I

V

T

A

N

T

T
|
T

L
|
L

M
|
M

G

G

I

L

G

G

C

S

Y

Y

P

P

A

C

S

D

D

D

K

E

Q

L

H

S

L

L

G

H

W

M

L
|
L

G

G

M
|
M

H

H

G

G

T

T

Y

V

E

Y

A

A

N

N

M

Y

A

A

M

V

H

E

H

H

S

S

D

D

L

L

I

L

L

L

C

A

V

F

G
|
G

A

V

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

N

G

A

K

T

L

E

E

K

A

F

F

C

A

P

S

G

R

A

A

R

K

I

I

I

V

H

H

I

I

D
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D

I
|
I

D

D

P

S

A

A

S

E

I

I

S

G

K

K

T

N

V

K

D

T

A

P

D

H

V

V

P

S

I

V

V

C

G
|
G

P
x
D

V
|
V

D

K

A

L

V

A

L

L

K

Q

E

G

M

M

L

N

S

K

L

V

V

L

K

E

E

N

A

R

N

A

E

E

K

E

P

L

D

K

A

L

D

D

A

-

I

F

A

G

S

V

W

W

W

R

K

N

Q

E

I

L

D

N

E

V

W

Q

R

K

A

Q

F

K

H

F

G

P

M

L

R

S

Y

F

E

K

T

T

S

F

P

G

D

E

V

A

I

I

K

P

P

P

Q

Q

E

Y

V

A

I

I

E

K

M

V

L

L

C

D

R

E

L

L

T

T

N

D

G

G

E

K

A

A

F

I

V

I

T

S

S

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

F

W

A

A

Q

Q

Y

F

Y

Y

K

N

F

Y

D

K

K

K

P

P

N

R

R

Q

W

W

I

L

N

S

S

S

G
|
G

G

G

L

L

G
|
G

T

A

M
|
M

G

G

F

F

G

G

L

L

P

P

A

A

M

I

G

G

V

A

K

S

L

V

T

A

H

N

P

P

D

D

D

A

E

I

V

V

L

V

C

D

I

I

T

D

G
|
G

E
x
D

G
|
G

S
|
S

I

F

Q

I

M

M

N

N

I

V

Q

Q

E

E

L

L

S

A

T

T

C

I

K

R

Q

V

Y

E

N

N

L

L

P

P

V

V

K

K

I

V

I

L

N

L

L

L

N

N

N
|
N

Q

Q

A
x
H

L
|
L

G
|
G

M
|
M

V
|
V

K

M

Q

Q

W
|
W

Q

E

D

D

M

R

N

F

Y

Y

E

K

S

A

R

N

H

R

A

A

E

H

S

T

Y

F

M

L

-

G

-

D

-

P

-

A

-

Q

-

E

-

D

E

E

S

I

L

F

P

P

D

N

F

M

I

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

H

I

K

P

G

A

V

A

R

R

I

V

E

T

K

K

E

A

D

D

L

L

E

R

T

E

K

A

L

I

K

Q

E

T

V

M

L

L

A

D

M

T

K

P

D

G

E

P

L

Y

V

L

F

-

V

L

D

D

I

V

Y

I

V

C

D

P

R
x
H

F

Q

E

E

H

H

V

V

Y

L

P

P

M

M

Q

I

V

P

A
x
S

R

G

G

G

S

T

M

F

K

N

D

D

M

V

W

I

L

T

S

E

K

G

T

D

E

G

R

R

V

I

active site: Y32 (= Y25), G34 (= G27), G35 (= G28), A36 (= A29), S37 (≠ A30), E58 (= E51), T81 (= T74), F120 (= F113), Q121 (= Q114), E122 (= E115), K170 (= K163), M265 (= M260), V292 (= V287), V399 (= V395), G425 (= G421), M427 (= M423), D452 (≠ E448), N479 (= N475), H481 (≠ A477), L482 (= L478), M484 (= M480), V485 (= V481), W488 (= W484), H557 (≠ R547)
binding N-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide: D290 (= D285), R291 (= R286), W488 (= W484), S567 (≠ A557)
binding flavin-adenine dinucleotide-n5-isobutyl ketone: R160 (= R153), G221 (= G214), G222 (= G215), G223 (= G216), T245 (= T240), L246 (= L241), M247 (= M242), L263 (= L258), G285 (= G280), R287 (= R282), D289 (= D284), R291 (= R286), D309 (= D304), I310 (= I305), G327 (= G322), D328 (≠ P323), V329 (= V324), M404 (= M400), G422 (= G418)
binding magnesium ion: D452 (≠ E448), N479 (= N475), H481 (≠ A477)
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 (= V395), G400 (= G396), Q401 (= Q397), H402 (= H398), M427 (= M423), G451 (= G447), G453 (= G449), S454 (= S450), N479 (= N475), H481 (≠ A477), L482 (= L478), G483 (= G479), M484 (= M480), V485 (= V481)

5k2oA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, pyrithiobac (see paper)
42% identity, 98% coverage: 6:564/572 of query aligns to 14:575/585 of 5k2oA

query
sites
5k2oA

G

G

A

A

D

D

M

I

L

L

I

V

R

E

S

A

L

L

Q

E

D

R

E

Q

G

G

I

V

E

E

Y

T

I

V

Y

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

A
x
S

L

M

H

E

I

I

Y

H

D

Q

A

A

L

L

F

T

R

R

Q

S

D

S

K

S

V

I

K

R

H

N

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

A

G

V

V

H

F

M

A

A

A

D

E

G

G

Y

Y

A

A

R

R

A

S

T

S

G

G

K

K

P

P

G

G

T

I

V

C

L

I

V

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

T

L

I

V

T

S

G

G

I

L

A

A

T

D

A

A

F

L

M

L

D

D

S

S

I

V

P

P

M

L

V

V

V

A

L

I

C

T

G

G

Q

Q

V

V

A

P

S

R

T

R

L

M

I

I

G

G

E

T

D

D

A

A

F
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F

Q
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Q

E
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E

T

T

D

P

M

I

M

V

G

E

V

V

S

T

R

R

P

S

V

I

V

T

K

K

H

H

N

N

L

Y

S

L

V

V

R

M

H

D

P

V

E

E

E

D

I

I

P

P

E

R

I

I

R

E

K

E

A

A

Y

F

I

L

A

A

A

T

T

S

G

G

R
|
R

P

P

G

G

P

P

V

V

V

L

V

V

D

D

I

V

P

P

K
|
K

D

D

-

I

-

Q

M

L

T

A

T

I

P

P

N

N

E

W

R

E

Y

Q

E

A

Y

M

A

R

Y

L

P

P

K

G

K

Y

V

M

K

S

L

-

R

R

S

M

Y

P

N

K

P

P

A

P

I

E

R

D

G

S

H

H

A

L

G

E

Q

Q

I

I

K

-

A

-

V

V

D

R

M

L

M

I

L

S

A

E

A

S

K

K

R

K

P

P

I

V

I

L

Y

Y

A

V

G
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G

V

C

V

L

L

-

G

-

K

N

A

S

S

S

D

D

Q

E

L

L

T

G

E

R

L

F

V

V

R

E

L

L

L

T

G

G

Y

I

P

P

I

V

T

A

N

S

T
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T

L
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L

M
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M

G

G

I

L

G

G

C

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Y

Y

P

P

A

C

S

D

D

D

K

E

Q

L

H

S

L

L

G

H

W

M

L
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L

G

G

M
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M

H

H

G

G

T

T

Y

V

E

Y

A

A

N

N

M

Y

A

A

M

V

H

E

H

H

S

S

D

D

L

L

I

L

L

L

C

A

V

F

G
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G

A

V

R
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R

F

F

D
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D

D

D

R
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R

V
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V

T

T

N

G

A

K

T

L

E

E

K

A

F

F

C

A

P

S

G

R

A

A

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K

I

I

I

V

H

H

I

I

D
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D

I
|
I

D

D

P

S

A

A

S

E

I

I

S

G

K

K

T

N

V

K

D

T

A

P

D

H

V

V

P

S

I

V

V

C

G

G

P
x
D

V
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V

D

K

A

L

V

A

L

L

K

Q

E

G

M

M

L

N

S

K

L

V

V

L

K

E

E

N

A

R

N

A

E

E

K

E

P

L

D

K

A

L

D

D

A

-

I

F

A

G

S

V

W

W

W

R

K

N

Q

E

I

L

D

N

E

V

W

Q

R

K

A

Q

F

K

H

F

G

P

M

L

R

S

Y

F

E

K

T

T

S

F

P

G

D

E

V

A

I

I

K

P

P

P

Q

Q

E

Y

V

A

I

I

E

K

M

V

L

L

C

D

R

E

L

L

T

T

N

D

G

G

E

K

A

A

F

I

V

I

T

S

S

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q
|
Q

M
|
M

F

W

A

A

Q

Q

Y

F

Y

Y

K

N

F

Y

D

K

K

K

P

P

N

R

R

Q

W

W

I

L

N

S

S

S

G
|
G

G

G

L

L

G
|
G

T

A

M
|
M

G

G

F

F

G

G

L

L

P

P

A

A

M

I

G

G

V

A

K

S

L

V

T

A

H

N

P

P

D

D

D

A

E

I

V

V

L

V

C

D

I

I

T

D

G

G

E
x
D

G
|
G

S
|
S

I

F

Q

I

M

M

N

N

I

V

Q

Q

E

E

L

L

S

A

T

T

C

I

K

R

Q

V

Y

E

N

N

L

L

P

P

V

V

K

K

I

V

I

L

N

L

L

L

N

N

N
|
N

Q

Q

A
x
H

L
|
L

G
|
G

M
|
M

V
|
V

K

M

Q

Q

W
|
W

Q

E

D

D

M

R

N

F

Y

Y

E

K

S

A

R

N

H

R

A

A

E

H

S

T

Y

F

M

L

-

G

-

D

-

P

-

A

-

Q

-

E

-

D

E

E

S

I

L

F

P

P

D

N

F

M

I

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

H

I

K

P

G

A

V

A

R

R

I

V

E

T

K

K

E

A

D

D

L

L

E

R

T

E

K

A

L

I

K

Q

E

T

V

M

L

L

A

D

M

T

K

P

D

G

E

P

L

Y

V

L

F

-

V

L

D

D

I

V

Y

I

V

C

D

P

R
x
H

F

Q

E

E

H

H

V

V

Y

L

P

P

M

M

Q

I

V

P

A
x
S

R

G

G

G

S

T

M

F

K

N

D

D

M

V

active site: Y33 (= Y25), G35 (= G27), G36 (= G28), A37 (= A29), S38 (≠ A30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M260), V293 (= V287), V400 (= V395), G426 (= G421), M428 (= M423), D453 (≠ E448), N480 (= N475), H482 (≠ A477), L483 (= L478), M485 (= M480), V486 (= V481), W489 (= W484), H558 (≠ R547)
binding 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid: M266 (= M260), R292 (= R286), W489 (= W484), S568 (≠ A557)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T240), L247 (= L241), M248 (= M242), L264 (= L258), G286 (= G280), R288 (= R282), D290 (= D284), V293 (= V287), D310 (= D304), I311 (= I305), D329 (≠ P323), V330 (= V324), Q404 (= Q399), M405 (= M400), G423 (= G418)
binding magnesium ion: D453 (≠ E448), N480 (= N475), H482 (≠ A477)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V395), G401 (= G396), Q402 (= Q397), H403 (= H398), M428 (= M423), D453 (≠ E448), G454 (= G449), S455 (= S450), N480 (= N475), H482 (≠ A477), L483 (= L478), G484 (= G479), M485 (= M480), V486 (= V481)

6denA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide iodomuron ethyl (see paper)
42% identity, 99% coverage: 4:571/572 of query aligns to 14:585/599 of 6denA

query
sites
6denA

L

L

S

T

G

G

A

G

D

E

M

I

L

F

I

H

R

E

S

M

L

M

Q

L

D

R

E

H

G

K

I

V

E

D

Y

T

I

V

Y

F

G

G

Y
|
Y

P

A

G
|
G

A
|
A

A
x
I

L

L

H

P

I

V

Y

F

D

D

A

A

L

I

F

Y

R

N

Q

S

D

D

K

K

V

F

K

K

H

F

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

A

G

A

A

V

G

H

H

M

M

A

A

D

E

G

G

Y

Y

A

A

R

R

A

A

T

S

G

G

K

K

P

P

G

G

T

V

V

V

L

L

V

V

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

T

V

I

I

T

T

G

P

I

M

A

A

T

D

A

A

F

L

M

M

D

D

S

G

I

V

P

P

M

L

V

V

L

F

C

S

G

G

Q

Q

V

V

A

P

S

T

T

T

L

A

I

I

G

G

E

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

T

A

D

D

M

I

M

V

G

G

V

I

S

S

R

R

P

S

V

C

V

T

K

K

H

W

N

N

L

V

S

M

V

V

R

K

H

N

P

V

E

A

E

E

I

L

P

P

E

R

I

R

I

I

R

N

K

E

A

A

Y

F

Y

E

I

I

A

A

A

T

T

T

G

G

R
|
R

P

P

G

G

P

P

V

V

V

L

V

V

D

D

I

L

P

P

K
|
K

D

D

M

V

T

T

T

A

P

S

N

I

E

L

R

R

Y

-

E

-

Y

-

A

-

Y

-

P

-

K

E

K

S

V

I

K

P

L

I

R

N

S

T

Y

T

N

L

P

P

A

A

I

V

R

S

G

E

H

F

A

T

G

S

Q

E

-

A

I

I

K

K

K

R

A

A

V

A

D

N

M

I

M

L

L

N

A

K

A

A

K

K

R

K

P

P

I

I

Y

Y

A

A

G
|
G

G
x
A

G
|
G

V

I

V

L

L
x
N

G

N

K

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active site: Y35 (= Y25), G37 (= G27), G38 (= G28), A39 (= A29), I40 (≠ A30), E61 (= E51), T84 (= T74), F123 (= F113), Q124 (= Q114), E125 (= E115), K173 (= K163), K230 (≠ Q225), M266 (= M260), V293 (= V287), V409 (= V395), L434 (= L420), G435 (= G421), M437 (= M423), D462 (≠ E448), N489 (= N475), E491 (≠ A477), Q492 (≠ L478), M494 (= M480), V495 (= V481), W498 (= W484), L520 (= L507), N525 (≠ G512), V526 (≠ H513)
binding flavin-adenine dinucleotide: R163 (= R153), G219 (= G214), A220 (≠ G215), G221 (= G216), N224 (≠ L219), T246 (= T240), L247 (= L241), Q248 (≠ M242), L264 (= L258), G286 (= G280), A287 (= A281), R288 (= R282), D290 (= D284), R292 (= R286), V293 (= V287), E319 (≠ D304), I320 (= I305), N324 (≠ S309), D338 (≠ P323), V339 (= V324), M414 (= M400), G432 (= G418)
binding ethyl 2-{[(4-iodo-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate: M266 (= M260), D291 (= D285), R292 (= R286), W498 (= W484)
binding magnesium ion: D462 (≠ E448), N489 (= N475), E491 (≠ A477)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V409 (= V395), G410 (= G396), Q411 (= Q397), H412 (= H398), G435 (= G421), M437 (= M423), G461 (= G447), D462 (≠ E448), A463 (≠ G449), S464 (= S450), N489 (= N475), E491 (≠ A477), Q492 (≠ L478), G493 (= G479), M494 (= M480), V495 (= V481)

6demA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide bensulfuron methyl (see paper)
42% identity, 99% coverage: 4:571/572 of query aligns to 12:583/597 of 6demA

query
sites
6demA

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active site: Y33 (= Y25), G35 (= G27), G36 (= G28), A37 (= A29), I38 (≠ A30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), K228 (≠ Q225), M264 (= M260), V291 (= V287), V407 (= V395), L432 (= L420), G433 (= G421), M435 (= M423), D460 (≠ E448), N487 (= N475), E489 (≠ A477), Q490 (≠ L478), M492 (= M480), V493 (= V481), W496 (= W484), L518 (= L507), N523 (≠ G512), V524 (≠ H513)
binding methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate: M264 (= M260), D289 (= D285), R290 (= R286), M492 (= M480), W496 (= W484), A567 (= A557)
binding flavin-adenine dinucleotide: R161 (= R153), G217 (= G214), A218 (≠ G215), G219 (= G216), N222 (≠ L219), T244 (= T240), L245 (= L241), Q246 (≠ M242), L262 (= L258), G284 (= G280), A285 (= A281), R286 (= R282), D288 (= D284), R290 (= R286), V291 (= V287), E317 (≠ D304), I318 (= I305), N322 (≠ S309), D336 (≠ P323), V337 (= V324), M412 (= M400), G430 (= G418)
binding magnesium ion: D460 (≠ E448), N487 (= N475), E489 (≠ A477)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V407 (= V395), G408 (= G396), Q409 (= Q397), H410 (= H398), M435 (= M423), G459 (= G447), D460 (≠ E448), A461 (≠ G449), S462 (= S450), M465 (= M453), N487 (= N475), E489 (≠ A477), Q490 (≠ L478), G491 (= G479), M492 (= M480), V493 (= V481)

Query Sequence

>GFF543 FitnessBrowser__Marino:GFF543
MELLSGADMLIRSLQDEGIEYIYGYPGGAALHIYDALFRQDKVKHILVRHEQAAVHMADG
YARATGKPGTVLVTSGPGATNTITGIATAFMDSIPMVVLCGQVASTLIGEDAFQETDMMG
VSRPVVKHNLSVRHPEEIPEIIRKAYYIAATGRPGPVVVDIPKDMTTPNERYEYAYPKKV
KLRSYNPAIRGHAGQIKKAVDMMLAAKRPIIYAGGGVVLGKASDQLTELVRLLGYPITNT
LMGIGCYPASDKQHLGWLGMHGTYEANMAMHHSDLILCVGARFDDRVTNATEKFCPGARI
IHIDIDPASISKTVDADVPIVGPVDAVLKEMLSLVKEANEKPDADAIASWWKQIDEWRAF
HGMRYETSPDVIKPQEVIEMLCRLTNGEAFVTSDVGQHQMFAAQYYKFDKPNRWINSGGL
GTMGFGLPAAMGVKLTHPDDEVLCITGEGSIQMNIQELSTCKQYNLPVKIINLNNQALGM
VKQWQDMNYESRHAESYMESLPDFIKLAEAYGHKGVRIEKKEDLETKLKEVLAMKDELVF
VDIYVDRFEHVYPMQVARGSMKDMWLSKTERV

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