SitesBLAST

P09114 Acetolactate synthase 2, chloroplastic; ALS II; Acetohydroxy-acid synthase II; Acetolactate synthase II; EC 2.2.1.6 from Nicotiana tabacum (Common tobacco) (see paper)
46% identity, 98% coverage: 6:553/559 of query aligns to 93:655/664 of P09114

query
sites
P09114

G

G

A

S

E

D

L

V

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

E

E

G

I

V

T

T

T

D

V

V

A

F

G

A

I

Y

P

P

G

G

T

A

N

S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

I

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E

E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

A

T

T

G

G

K

F

P

P

A

G

V

V

C

C

M

I

A

A

T

T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

I

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P
|
P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F

F

Q

Q

E

E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

V

I

V

P

R

E

E

A

A

F

F

R

F

I

L

A

A

A

R

S

S

G

G

R

R

P

P

G

G

P

P

V

V

L

L

V

I

D

D

I

V

P

P

K

K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

V

T

I

F

P

D

D

M

W

-

D

-

Q

-

P

L

M

P

R

A

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

L

P

P

D

K

-

L

P

P

D

N

I

E

D

M

Q

L

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G

G

V

C

T

S

Q

Q

S

S

G

-

A

-

S

S

E

E

T

E

A

L

T

R

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T

T

L

L

M

M

G

G

L

L

G

G

A

A

M

F

P

P

H

T

S

G

H

D

P

E

L

L

S

S

L

L

G

S

M

M

L

L

G

G

M

M

H

H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

D

E

S

C

S

D

D

L

L

I

L

A

A

A

F

G

G

V

V

R

R

F

F

D

D

R

R

A

V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D

D

I

I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

Q

D

P

C

H

V

V

G

S

I

I

V

C

C

A

D

D

V

I

K

K

T

L

A

A

L

L

E

Q

H

G

L

L

L

N

A

S

N

I

V

L

Q

E

D

S

K

K

Q

E

-

G

-

K

-

L

-

K

-

L

-

D

R

F

G

S

E

A

W

W

V

R

D

Q

R

E

I

L

A

T

T

V

L

Q

K

K

R

V

D

K

F

Y

P

P

A

L

L

N

L

F

P

K

K

T

T

F

A

G

S

D

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

Q

H

V

A

L

A

D

E

E

Y

L

V

T

G

N

P

G

D

S

A

A

I

I

V

I

T

S

T

T

D

G

V

V

G

G

Q

Q

H

H

Q

Q

M

M

R

W

A

A

Q

Q

A

Y

Y

Y

P

K

V

Y

T

R

R

K

A

P

R

R

Q

Q

F

W

L

L

T

T

S

S

G

G

L

L

G

G

T

A

M

M

G

G

F

F

G

G

L

L

P

P

A

A

I

I

G

G

A

A

L

V

A

G

H

R

P

P

D

D

R

E

S

V

V

V

I

V

C

D

F

I

T

D

G

G

D

D

G

G

S

S

L

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

K

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

I

V

M

L

L

A

L

D

N

N

N

R

Q

A

H

L

L

G

G

L

M

V

V

Q

V

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

Y

Y

L

G

G

N

N

A

P

L

S

D

N

F

E

T

A

T

E

I

I

-

F

-

P

-

N

-

M

-

L

-

K

-

F

A

A

K

E

G

A

F

C

G

G

I

V

A

P

S

A

A

A

D

R

L

V

A

T

N

H

S

R

E

D

D

D

P

L

A

R

S

A

D

A

L

I

R

Q

D

K

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

V

N

P

A

H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P

S

G

G

A

G

A

A

N

F

T

K

T

D

M

V

I

I

P191 (= P104) mutation to A: In S4-Hra; highly resistant to sulfonylurea herbicides; when associated with L-568.
W568 (≠ Q473) mutation to L: In S4-Hra; highly resistant to sulfonylurea herbicides; when associated with A-191.

P09342 Acetolactate synthase 1, chloroplastic; ALS I; Acetohydroxy-acid synthase I; Acetolactate synthase I; EC 2.2.1.6 from Nicotiana tabacum (Common tobacco) (see 2 papers)
45% identity, 98% coverage: 6:553/559 of query aligns to 96:658/667 of P09342

query
sites
P09342

G

G

A

S

E

D

L

V

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

E

E

G

I

V

T

T

T

D

V

V

A

F

G

A

I

Y

P

P

G

G

T

A

N

S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

I

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E

E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

A

T

T

G

G

K

F

P

P

A

G

V

V

C
|
C

M

I

A

A

T

T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

I

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P
|
P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F

F

Q

Q

E

E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

V

I

V

P

R

E

E

A

A

F

F

R

F

I

L

A

A

A

R

S

S

G

G

R

R

P

P

G

G

P

P

V

I

L

L

V

I

D

D

I

V

P

P

K

K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

V

T

I

F

P

D

D

M

W

-

D

-

Q

-

P

L

M

P

R

A

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

L

P

P

D

K

-

L

P

P

D

N

I

E

D

M

Q

L

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G

G

V
x
C

T

S

Q

Q

S

S

G

-

A

-

S

S

E

E

T

D

A

L

T

R

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T

T

L

L

M

M

G

G

L

L

G

G

A

A

M

F

P

P

H

T

S

G

H

D

P

E

L

L

S

S

L

L

G

S

M

M

L

L

G

G

M

M

H

H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

D

E

S

C

S

D

D

L

L

I

L

A

A

A

F

G

G

V

V

R

R

F

F

D

D

R

R

A

V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D

D

I

I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

Q

D

P

C

H

V

V

G

S

I

I

V

C

C

A

D

D

V

I

K

K

T

L

A

A

L

L

E

Q

H

G

L

L

L

N

A

S

N

I

V

L

Q

E

D

S

K

K

Q

E

-

G

-

K

-

L

-

K

-

L

-

D

R

F

G

S

E

A

W

W

V

R

D

Q

R

E

I

L

A

T

T

E

L

Q

K

K

R

V

D

K

F

H

P

P

A

L

L

N

L

F

P

K

K

T

T

F

A

G

S

D

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

Q

H

V

A

L

A

D

E

E

Y

L

V

T

G

N

P

G

D

N

A

A

I

I

V

I

T

S

T

T

D

G

V

V

G

G

Q

Q

H

H

Q

Q

M

M

R

W

A

A

Q

Q

A

Y

Y

Y

P

K

V

Y

T

R

R

K

A

P

R

R

Q

Q

F

W

L

L

T

T

S

S

G

G

L

L

G

G

T

A

M

M

G

G

F

F

G

G

L

L

P

P

A

A

I

I

G

G

A

A

L

V

A

G

H

R

P

P

D

D

R

E

S

V

V

V

I

V

C

D

F

I

T

D

G

G

D

D

G

G

S

S

L

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

K

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

I

V

M

L

L

A

L

D

N

N

N

R

Q

A

H

L

L

G

G

L

M

V

V

Q

V

Q

Q

Q

W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

Y

Y

L

G

G

N

N

A

P

L

S

D

N

F

E

T

A

T

E

I

I

-

F

-

P

-

N

-

M

-

L

-

K

-

F

A

A

K

E

G

A

F

C

G

G

I

V

A

P

S

A

A

A

D

R

L

V

A

T

N

H

S

R

E

D

D

D

P

L

A

R

S

A

D

A

L

I

R

Q

D

K

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

V

N

P

A

H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P

S

G

G

A

G

A

A

N

F

T

K

T

D

M

V

I

I

C161 (= C71) modified: Disulfide link with 307
P194 (= P104) mutation to Q: In C3; highly resistant to sulfonylurea herbicides.
C307 (≠ V213) modified: Disulfide link with 161

P17597 Acetolactate synthase, chloroplastic; AtALS; Acetohydroxy-acid synthase; Protein CHLORSULFURON RESISTANT 1; EC 2.2.1.6 from Arabidopsis thaliana (Mouse-ear cress) (see 8 papers)
45% identity, 98% coverage: 6:555/559 of query aligns to 99:664/670 of P17597

query
sites
P17597

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I

Y

P

P

G

G

T
x
A

N

S

L
x
M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T

T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S
|
S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P
|
P

L

R

G
x
R

L

M

V

I

G

G

T

T

D

D

A

A

F

F

Q
|
Q

E

E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K
|
K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
|
K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G

G

G
|
G

G

G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T
|
T

L
|
L

M

M

G

G

L

L

G

G

A

S

M

Y

P

P

H
x
C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M

M

L
|
L

G
|
G

M
|
M

H
|
H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V
|
V

R
|
R

F
|
F

D
|
D

R
|
R

A

V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C

G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V

V

G

G

Q
|
Q

H
|
H

Q

Q

M

M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

S

S

S

G
|
G

L

L

G
|
G

T
x
A

M
|
M

G

G

F

F

G

G

L

L

P

P

A

A

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G

G

D
|
D

G
|
G

S
|
S

L

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R
x
Q

A
x
H

L
|
L

G
|
G

L
x
M

V

V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S

K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A

H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P
x
S

G

G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

A122 (≠ T29) 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 thiamine diphosphate
S186 (= S93) binding FAD
P197 (= P104) mutation to S: In csr1-1/GH50; resistant to sulfonylurea but not to imidazolinone herbicides.
R199 (≠ G106) mutation R->A,E: No effect on catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.
Q207 (= Q114) binding thiamine diphosphate
K220 (= K127) binding (R)-imazaquin
R246 (= R153) binding (R)-imazaquin; binding FAD
K256 (= K163) binding chlorimuron-ethyl
G308 (= G211) binding FAD
TL 331:332 (= TL 236:237) binding FAD
C340 (≠ H245) modified: Cysteine sulfinic acid (-SO2H)
LGMH 349:352 (= LGMH 254:257) binding FAD
GVRFD 371:375 (= GVRFD 276:280) binding FAD
DR 376:377 (= DR 281:282) binding chlorimuron-ethyl
DI 395:396 (= DI 300:301) binding FAD
DV 414:415 (= DV 319:320) binding FAD
QH 487:488 (= QH 386:387) binding thiamine diphosphate
GG 508:509 (= GG 407:408) binding FAD
GAM 511:513 (≠ GTM 410:412) binding thiamine diphosphate
D538 (= D437) binding Mg(2+)
DGS 538:540 (= DGS 437:439) binding thiamine diphosphate
N565 (= N464) binding Mg(2+)
NQHLGM 565:570 (≠ NRALGL 464:469) binding thiamine diphosphate
H567 (≠ A466) binding Mg(2+)
W574 (≠ Q473) binding chlorimuron-ethyl; mutation to L: Increased catalytic activity. Resistant to imidazolinone and sulfonylurea herbicides.; mutation to S: Slightly decreased catalytic activity. Resistant to imidazolinone and sulfonylurea herbicides.
S653 (≠ P545) binding chlorimuron-ethyl; mutation to A: No effect on catalytic activity or sensitivity to herbicides.; mutation to F: No effect on catalytic activity. Resistant to imidazolinone herbicides and also slightly sulfonylurea-resistant.; mutation to N: In csr1-2/GH90; no effect on catalytic activity. Resistant to imidazolinone but not to sulfonylurea herbicides.; mutation to T: No effect on catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.

3ea4A Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron-ester (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 13:578/582 of 3ea4A

query
sites
3ea4A

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I
x
Y

P

P

G
|
G

T
x
A

N
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
|
K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

T

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M

M

L
|
L

G
|
G

M
|
M

H
|
H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V

V

R
|
R

F

F

D
|
D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C
x
G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G
|
G

D
|
D

G
|
G

S
|
S

L

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G
|
G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S

K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A
x
H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P
x
S

G

G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

active site: Y32 (≠ I25), G34 (= G27), G35 (= G28), A36 (≠ T29), S37 (≠ N30), E58 (= E51), T81 (= T74), F120 (= F113), Q121 (= Q114), E122 (= E115), K170 (= K163), M265 (= M256), V292 (≠ A283), V399 (= V384), G425 (= G410), M427 (= M412), D452 (= D437), N479 (= N464), H481 (≠ A466), L482 (= L467), M484 (≠ L469), V485 (= V470), W488 (≠ Q473), H557 (≠ A535)
binding methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate: D290 (= D281), R291 (= R282), W488 (≠ Q473), S567 (≠ P545)
binding flavin-adenine dinucleotide-n5-isobutyl ketone: R160 (= R153), G221 (= G210), G222 (= G211), G223 (= G212), T245 (= T236), L246 (= L237), M247 (= M238), L263 (= L254), G264 (= G255), M265 (= M256), H266 (= H257), G285 (= G276), R287 (= R278), D289 (= D280), R291 (= R282), D309 (= D300), I310 (= I301), G327 (≠ C318), D328 (= D319), V329 (= V320), M404 (= M389), G422 (= G407)
binding magnesium ion: D452 (= D437), N479 (= N464), H481 (≠ A466)
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 (= V384), G400 (= G385), Q401 (= Q386), H402 (= H387), M427 (= M412), G451 (= G436), D452 (= D437), G453 (= G438), S454 (= S439), N479 (= N464), H481 (≠ A466), L482 (= L467), G483 (= G468), M484 (≠ L469), V485 (= V470)

3e9yA Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 13:578/582 of 3e9yA

query
sites
3e9yA

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I
x
Y

P

P

G
|
G

T
x
A

N
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
|
K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

T

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M

M

L
|
L

G

G

M
|
M

H

H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V

V

R
|
R

F

F

D
|
D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C
x
G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G
|
G

D
|
D

G
|
G

S
|
S

L

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G
|
G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S

K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A
x
H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P
x
S

G

G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

active site: Y32 (≠ I25), G34 (= G27), G35 (= G28), A36 (≠ T29), S37 (≠ N30), E58 (= E51), T81 (= T74), F120 (= F113), Q121 (= Q114), E122 (= E115), K170 (= K163), M265 (= M256), V292 (≠ A283), V399 (= V384), G425 (= G410), M427 (= M412), D452 (= D437), N479 (= N464), H481 (≠ A466), L482 (= L467), M484 (≠ L469), V485 (= V470), W488 (≠ Q473), H557 (≠ A535)
binding N-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide: D290 (= D281), R291 (= R282), W488 (≠ Q473), S567 (≠ P545)
binding flavin-adenine dinucleotide-n5-isobutyl ketone: R160 (= R153), G221 (= G210), G222 (= G211), G223 (= G212), T245 (= T236), L246 (= L237), M247 (= M238), L263 (= L254), G285 (= G276), R287 (= R278), D289 (= D280), R291 (= R282), D309 (= D300), I310 (= I301), G327 (≠ C318), D328 (= D319), V329 (= V320), M404 (= M389), G422 (= G407)
binding magnesium ion: D452 (= D437), N479 (= N464), H481 (≠ A466)
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 (= V384), G400 (= G385), Q401 (= Q386), H402 (= H387), M427 (= M412), G451 (= G436), G453 (= G438), S454 (= S439), N479 (= N464), H481 (≠ A466), L482 (= L467), G483 (= G468), M484 (≠ L469), V485 (= V470)

5k2oA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, pyrithiobac (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 14:579/585 of 5k2oA

query
sites
5k2oA

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I
x
Y

P

P

G
|
G

T
x
A

N
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
|
K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M

M

L
|
L

G

G

M
|
M

H

H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V

V

R
|
R

F

F

D
|
D

D

D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C

G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q
|
Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G

G

D
|
D

G
|
G

S
|
S

L

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G
|
G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S

K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A
x
H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P
x
S

G

G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

active site: Y33 (≠ I25), G35 (= G27), G36 (= G28), A37 (≠ T29), S38 (≠ N30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M256), V293 (≠ A283), V400 (= V384), G426 (= G410), M428 (= M412), D453 (= D437), N480 (= N464), H482 (≠ A466), L483 (= L467), M485 (≠ L469), V486 (= V470), W489 (≠ Q473), H558 (≠ A535)
binding 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid: M266 (= M256), R292 (= R282), W489 (≠ Q473), S568 (≠ P545)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G210), G223 (= G211), G224 (= G212), T246 (= T236), L247 (= L237), M248 (= M238), L264 (= L254), G286 (= G276), R288 (= R278), D290 (= D280), V293 (≠ A283), D310 (= D300), I311 (= I301), D329 (= D319), V330 (= V320), Q404 (= Q388), M405 (= M389), G423 (= G407)
binding magnesium ion: D453 (= D437), N480 (= N464), H482 (≠ A466)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V384), G401 (= G385), Q402 (= Q386), H403 (= H387), M428 (= M412), D453 (= D437), G454 (= G438), S455 (= S439), N480 (= N464), H482 (≠ A466), L483 (= L467), G484 (= G468), M485 (≠ L469), V486 (= V470)

8et4A Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with amidosulfuron (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 14:579/582 of 8et4A

query
sites
8et4A

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I

Y

P

P

G

G

T

A

N

S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E

E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T

T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F

F

Q

Q

E

E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K

K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M

M

L
|
L

G

G

M
|
M

H
|
H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V
|
V

R
|
R

F

F

D
|
D

D

D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C

G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L
x
F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G
|
G

D
|
D

G
|
G

S
|
S

L

F

L

I

M
|
M

N

N

I

V

Q
|
Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G
|
G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S
x
K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A

H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P
x
S

G

G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

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 (= V384), G401 (= G385), Q402 (= Q386), H403 (= H387), G426 (= G410), M428 (= M412), G452 (= G436), D453 (= D437), G454 (= G438), S455 (= S439), M458 (= M442), N480 (= N464), H482 (≠ A466), L483 (= L467), G484 (= G468), M485 (≠ L469), V486 (= V470)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G210), G223 (= G211), G224 (= G212), T246 (= T236), L247 (= L237), M248 (= M238), L264 (= L254), M266 (= M256), H267 (= H257), G286 (= G276), V287 (= V277), R288 (= R278), D290 (= D280), R292 (= R282), V293 (≠ A283), D310 (= D300), I311 (= I301), D329 (= D319), V330 (= V320), M405 (= M389), G423 (= G407)
binding magnesium ion: F370 (≠ L354), D453 (= D437), M458 (= M442), Q461 (= Q445), N480 (= N464), H482 (≠ A466), K533 (≠ S510)
binding N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide: M266 (= M256), R292 (= R282), M485 (≠ L469), W489 (≠ Q473), S568 (≠ P545)

5wj1A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 14:579/582 of 5wj1A

query
sites
5wj1A

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I
x
Y

P

P

G
|
G

T
x
A

N
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
|
K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M
|
M

L
|
L

G

G

M
|
M

H

H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V

V

R
|
R

F

F

D

D

D
|
D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C

G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G

G

D
|
D

G
|
G

S
|
S

L

F

L

I

M
|
M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G
|
G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S

K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A
x
H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P
x
S

G

G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

active site: Y33 (≠ I25), G35 (= G27), G36 (= G28), A37 (≠ T29), S38 (≠ N30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M256), V293 (≠ A283), V400 (= V384), G426 (= G410), M428 (= M412), D453 (= D437), N480 (= N464), H482 (≠ A466), L483 (= L467), M485 (≠ L469), V486 (= V470), W489 (≠ Q473), H558 (≠ A535)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G210), G223 (= G211), G224 (= G212), T246 (= T236), L247 (= L237), M248 (= M238), M263 (= M253), L264 (= L254), G286 (= G276), R288 (= R278), V293 (≠ A283), D310 (= D300), I311 (= I301), D329 (= D319), V330 (= V320), M405 (= M389), G423 (= G407), G424 (= G408)
binding magnesium ion: D453 (= D437), N480 (= N464), H482 (≠ A466)
binding 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide: M266 (= M256), D291 (= D281), R292 (= R282), M485 (≠ L469), W489 (≠ Q473), S568 (≠ P545)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V384), G401 (= G385), Q402 (= Q386), H403 (= H387), M428 (= M412), D453 (= D437), G454 (= G438), S455 (= S439), M458 (= M442), N480 (= N464), H482 (≠ A466), L483 (= L467), G484 (= G468), M485 (≠ L469), V486 (= V470)

5k6tA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, propoxycarbazone-sodium (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 14:579/582 of 5k6tA

query
sites
5k6tA

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I
x
Y

P

P

G
|
G

T
x
A

N
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
|
K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M

M

L
|
L

G

G

M
|
M

H
|
H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V

V

R
|
R

F

F

D
|
D

D

D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C

G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q
|
Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G
|
G

D
|
D

G
|
G

S
|
S

L

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G
|
G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S

K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A
x
H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P
x
S

G

G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

active site: Y33 (≠ I25), G35 (= G27), G36 (= G28), A37 (≠ T29), S38 (≠ N30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M256), V293 (≠ A283), V400 (= V384), G426 (= G410), M428 (= M412), D453 (= D437), N480 (= N464), H482 (≠ A466), L483 (= L467), M485 (≠ L469), V486 (= V470), W489 (≠ Q473), H558 (≠ A535)
binding methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate: H267 (= H257), R292 (= R282), M485 (≠ L469), W489 (≠ Q473), S568 (≠ P545)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G210), G223 (= G211), G224 (= G212), T246 (= T236), L247 (= L237), M248 (= M238), L264 (= L254), G286 (= G276), R288 (= R278), D290 (= D280), R292 (= R282), V293 (≠ A283), D310 (= D300), I311 (= I301), D329 (= D319), V330 (= V320), Q404 (= Q388), M405 (= M389), G423 (= G407)
binding magnesium ion: D453 (= D437), N480 (= N464), H482 (≠ A466)
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 (= V384), G401 (= G385), Q402 (= Q386), H403 (= H387), G426 (= G410), M428 (= M412), G452 (= G436), G454 (= G438), S455 (= S439), N480 (= N464), H482 (≠ A466), L483 (= L467), G484 (= G468)

5k6rA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, thiencarbazone-methyl (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 14:579/582 of 5k6rA

query
sites
5k6rA

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I
x
Y

P

P

G
|
G

T
x
A

N
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
|
K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M

M

L
|
L

G

G

M
|
M

H

H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V

V

R
|
R

F

F

D

D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C
x
G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G

G

D
|
D

G
|
G

S
|
S

L

F

L

I

M
|
M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G
|
G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S

K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A
x
H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P
x
S

G

G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

active site: Y33 (≠ I25), G35 (= G27), G36 (= G28), A37 (≠ T29), S38 (≠ N30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M256), V293 (≠ A283), V400 (= V384), G426 (= G410), M428 (= M412), D453 (= D437), N480 (= N464), H482 (≠ A466), L483 (= L467), M485 (≠ L469), V486 (= V470), W489 (≠ Q473), H558 (≠ A535)
binding methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate: R292 (= R282), W489 (≠ Q473), S568 (≠ P545)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G210), G223 (= G211), G224 (= G212), T246 (= T236), L247 (= L237), M248 (= M238), L264 (= L254), M266 (= M256), G286 (= G276), R288 (= R278), R292 (= R282), V293 (≠ A283), D310 (= D300), I311 (= I301), G328 (≠ C318), D329 (= D319), V330 (= V320), M405 (= M389), G423 (= G407)
binding magnesium ion: D453 (= D437), N480 (= N464), H482 (≠ A466)
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 (= V384), G401 (= G385), Q402 (= Q386), H403 (= H387), G426 (= G410), M428 (= M412), D453 (= D437), G454 (= G438), S455 (= S439), M458 (= M442), N480 (= N464), H482 (≠ A466), L483 (= L467), G484 (= G468), M485 (≠ L469), V486 (= V470)

1z8nA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with an imidazolinone herbicide, imazaquin (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 14:579/582 of 1z8nA

query
sites
1z8nA

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I
x
Y

P

P

G
|
G

T
x
A

N
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K
|
K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
|
K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T
x
Y

P

M

E

S

T
x
R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G
|
G

G

G

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M

M

L
|
L

G
|
G

M
|
M

H
|
H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V
|
V

R
|
R

F

F

D
|
D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D
|
D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C

G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G
|
G

D
|
D

G
|
G

S
|
S

L

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G
|
G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S

K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A
x
H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P

S

G
|
G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

active site: Y33 (≠ I25), G35 (= G27), G36 (= G28), A37 (≠ T29), S38 (≠ N30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M256), V293 (≠ A283), V400 (= V384), G426 (= G410), M428 (= M412), D453 (= D437), N480 (= N464), H482 (≠ A466), L483 (= L467), M485 (≠ L469), V486 (= V470), W489 (≠ Q473), H558 (≠ A535)
binding 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)quinoline-3-carboxylic acid: K135 (= K127), R161 (= R153), Y191 (≠ T180), R194 (≠ T183), D291 (= D281), R292 (= R282), D312 (= D302), W489 (≠ Q473), G569 (= G546)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G210), G224 (= G212), T246 (= T236), L247 (= L237), M248 (= M238), L264 (= L254), G265 (= G255), M266 (= M256), H267 (= H257), G286 (= G276), V287 (= V277), R288 (= R278), D290 (= D280), R292 (= R282), V293 (≠ A283), D310 (= D300), I311 (= I301), D329 (= D319), V330 (= V320), M405 (= M389), G423 (= G407), G424 (= G408)
binding magnesium ion: D453 (= D437), N480 (= N464)
binding thiamine diphosphate: V400 (= V384), G401 (= G385), Q402 (= Q386), H403 (= H387), G426 (= G410), M428 (= M412), G452 (= G436), G454 (= G438), S455 (= S439), N480 (= N464), H482 (≠ A466), L483 (= L467), G484 (= G468), M485 (≠ L469), V486 (= V470)

1yi1A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 14:579/582 of 1yi1A

query
sites
1yi1A

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I
x
Y

P

P

G
|
G

T
x
A

N
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
|
K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G

G

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M
|
M

L
|
L

G
|
G

M
|
M

H
|
H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V
|
V

R
|
R

F

F

D
|
D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C

G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G

G

Q

Q

H

H

Q

Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G

G

D
|
D

G

G

S

S

L

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G

G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S

K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A
x
H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P
x
S

G

G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

active site: Y33 (≠ I25), G35 (= G27), G36 (= G28), A37 (≠ T29), S38 (≠ N30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M256), V293 (≠ A283), V400 (= V384), G426 (= G410), M428 (= M412), D453 (= D437), N480 (= N464), H482 (≠ A466), L483 (= L467), M485 (≠ L469), V486 (= V470), W489 (≠ Q473), H558 (≠ A535)
binding methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate: D291 (= D281), R292 (= R282), W489 (≠ Q473), S568 (≠ P545)
binding flavin-adenine dinucleotide: R161 (= R153), G223 (= G211), G224 (= G212), T246 (= T236), L247 (= L237), M248 (= M238), M263 (= M253), L264 (= L254), G265 (= G255), M266 (= M256), H267 (= H257), G286 (= G276), V287 (= V277), R288 (= R278), D290 (= D280), V293 (≠ A283), D310 (= D300), I311 (= I301), D329 (= D319), V330 (= V320), M405 (= M389), G423 (= G407), G424 (= G408)
binding magnesium ion: D453 (= D437), N480 (= N464), H482 (≠ A466)

1yi0A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, sulfometuron methyl (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 14:579/582 of 1yi0A

query
sites
1yi0A

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I
x
Y

P

P

G
|
G

T
x
A

N
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
|
K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M

M

L
|
L

G
|
G

M
|
M

H
|
H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V
|
V

R
|
R

F

F

D
|
D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C
x
G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G

G

Q

Q

H

H

Q

Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G

G

D
|
D

G

G

S

S

L

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G

G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S

K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A
x
H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P
x
S

G

G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

active site: Y33 (≠ I25), G35 (= G27), G36 (= G28), A37 (≠ T29), S38 (≠ N30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M256), V293 (≠ A283), V400 (= V384), G426 (= G410), M428 (= M412), D453 (= D437), N480 (= N464), H482 (≠ A466), L483 (= L467), M485 (≠ L469), V486 (= V470), W489 (≠ Q473), H558 (≠ A535)
binding methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D291 (= D281), R292 (= R282), W489 (≠ Q473), S568 (≠ P545)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G210), G223 (= G211), G224 (= G212), T246 (= T236), L247 (= L237), M248 (= M238), L264 (= L254), G265 (= G255), M266 (= M256), H267 (= H257), G286 (= G276), V287 (= V277), R288 (= R278), D290 (= D280), R292 (= R282), V293 (≠ A283), D310 (= D300), I311 (= I301), G328 (≠ C318), D329 (= D319), V330 (= V320), M405 (= M389), G423 (= G407), G424 (= G408)
binding magnesium ion: D453 (= D437), N480 (= N464), H482 (≠ A466)

1yhzA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 14:579/582 of 1yhzA

query
sites
1yhzA

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I
x
Y

P

P

G
|
G

T
x
A

N
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
|
K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G

G

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M

M

L
|
L

G

G

M
|
M

H
|
H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V
|
V

R
|
R

F

F

D
|
D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C

G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G

G

Q

Q

H

H

Q
|
Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G

G

D
|
D

G

G

S

S

L

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G

G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S

K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A
x
H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P
x
S

G

G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

active site: Y33 (≠ I25), G35 (= G27), G36 (= G28), A37 (≠ T29), S38 (≠ N30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M256), V293 (≠ A283), V400 (= V384), G426 (= G410), M428 (= M412), D453 (= D437), N480 (= N464), H482 (≠ A466), L483 (= L467), M485 (≠ L469), V486 (= V470), W489 (≠ Q473), H558 (≠ A535)
binding 1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea: D291 (= D281), R292 (= R282), M485 (≠ L469), W489 (≠ Q473), S568 (≠ P545)
binding flavin-adenine dinucleotide: R161 (= R153), G223 (= G211), G224 (= G212), T246 (= T236), L247 (= L237), M248 (= M238), L264 (= L254), M266 (= M256), H267 (= H257), G286 (= G276), V287 (= V277), R288 (= R278), D290 (= D280), V293 (≠ A283), D310 (= D300), I311 (= I301), D329 (= D319), V330 (= V320), Q404 (= Q388), M405 (= M389), G423 (= G407), G424 (= G408)
binding magnesium ion: D453 (= D437), N480 (= N464), H482 (≠ A466)

1yhyA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, metsulfuron methyl (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 14:579/582 of 1yhyA

query
sites
1yhyA

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I
x
Y

P

P

G
|
G

T
x
A

N
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
|
K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M

M

L
|
L

G
|
G

M
|
M

H
|
H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V
|
V

R
|
R

F

F

D
|
D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C

G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G

G

Q

Q

H

H

Q
|
Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G

G

D
|
D

G

G

S

S

L

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G

G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S

K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A
x
H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P
x
S

G

G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

active site: Y33 (≠ I25), G35 (= G27), G36 (= G28), A37 (≠ T29), S38 (≠ N30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M256), V293 (≠ A283), V400 (= V384), G426 (= G410), M428 (= M412), D453 (= D437), N480 (= N464), H482 (≠ A466), L483 (= L467), M485 (≠ L469), V486 (= V470), W489 (≠ Q473), H558 (≠ A535)
binding methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D291 (= D281), R292 (= R282), V486 (= V470), W489 (≠ Q473), S568 (≠ P545)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G210), G223 (= G211), G224 (= G212), T246 (= T236), L247 (= L237), M248 (= M238), L264 (= L254), G265 (= G255), M266 (= M256), H267 (= H257), G286 (= G276), V287 (= V277), R288 (= R278), D290 (= D280), V293 (≠ A283), D310 (= D300), I311 (= I301), D329 (= D319), V330 (= V320), Q404 (= Q388), M405 (= M389), G423 (= G407), G424 (= G408)
binding magnesium ion: D453 (= D437), N480 (= N464), H482 (≠ A466)

1ybhA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide chlorimuron ethyl (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 14:579/582 of 1ybhA

query
sites
1ybhA

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I
x
Y

P

P

G
|
G

T
x
A

N
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
|
K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G

G

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M

M

L
|
L

G

G

M
|
M

H
|
H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V
|
V

R
|
R

F

F

D
|
D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C

G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G

G

Q

Q

H

H

Q
|
Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G

G

D
|
D

G

G

S

S

L

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G

G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S

K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A
x
H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P
x
S

G

G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

active site: Y33 (≠ I25), G35 (= G27), G36 (= G28), A37 (≠ T29), S38 (≠ N30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M256), V293 (≠ A283), V400 (= V384), G426 (= G410), M428 (= M412), D453 (= D437), N480 (= N464), H482 (≠ A466), L483 (= L467), M485 (≠ L469), V486 (= V470), W489 (≠ Q473), H558 (≠ A535)
binding 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester: M266 (= M256), D291 (= D281), R292 (= R282), M485 (≠ L469), W489 (≠ Q473), S568 (≠ P545)
binding flavin-adenine dinucleotide: R161 (= R153), G223 (= G211), G224 (= G212), T246 (= T236), L247 (= L237), M248 (= M238), L264 (= L254), M266 (= M256), H267 (= H257), G286 (= G276), V287 (= V277), R288 (= R278), D290 (= D280), V293 (≠ A283), D310 (= D300), I311 (= I301), D329 (= D319), V330 (= V320), Q404 (= Q388), M405 (= M389), G423 (= G407), G424 (= G408)
binding magnesium ion: D453 (= D437), N480 (= N464), H482 (≠ A466)

5k3sA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, bispyribac-sodium (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 14:579/583 of 5k3sA

query
sites
5k3sA

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I
x
Y

P

P

G
|
G

T
x
A

N
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
|
K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M

M

L
|
L

G

G

M
|
M

H

H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V

V

R
|
R

F

F

D
|
D

D

D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C

G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G

Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G

G

D
|
D

G
|
G

S
|
S

L

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G
|
G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S

K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A
x
H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P

S

G
|
G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

active site: Y33 (≠ I25), G35 (= G27), G36 (= G28), A37 (≠ T29), S38 (≠ N30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), M266 (= M256), V293 (≠ A283), V400 (= V384), G426 (= G410), M428 (= M412), D453 (= D437), N480 (= N464), H482 (≠ A466), L483 (= L467), M485 (≠ L469), V486 (= V470), W489 (≠ Q473), H558 (≠ A535)
binding 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid: R292 (= R282), M485 (≠ L469), W489 (≠ Q473), G569 (= G546)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G210), G223 (= G211), G224 (= G212), T246 (= T236), L247 (= L237), M248 (= M238), L264 (= L254), M266 (= M256), G286 (= G276), R288 (= R278), D290 (= D280), V293 (≠ A283), D310 (= D300), I311 (= I301), D329 (= D319), V330 (= V320), M405 (= M389), G423 (= G407)
binding magnesium ion: D453 (= D437), N480 (= N464), H482 (≠ A466)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V384), G401 (= G385), Q402 (= Q386), H403 (= H387), G426 (= G410), M428 (= M412), D453 (= D437), G454 (= G438), S455 (= S439), N480 (= N464), H482 (≠ A466), L483 (= L467), G484 (= G468), M485 (≠ L469), V486 (= V470)

7tzzA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase p197t mutant in complex with bispyribac-sodium (see paper)
45% identity, 98% coverage: 6:555/559 of query aligns to 14:579/582 of 7tzzA

query
sites
7tzzA

G

G

A

A

E

D

L

I

L

L

I

V

R

E

L

A

L

L

E

E

R

R

Q

Q

E

G

I

V

T

E

T

T

V

V

A

F

G

A

I

Y

P

P

G

G

T
x
A

N

S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

G

T

R

R

S

S

R

S

I

I

R

R

H

N

V

V

L

L

A

P

R

R

H

H

E

E

Q

Q

G

G

A

G

A

V

F

F

M

A

A

A

Q

E

G

G

M

Y

A

A

R

R

S

S

T

S

G

G

K

K

P

P

A

G

V

I

C

C

M

I

A

A

T
|
T

S
|
S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

L

V

T

S

A

G

I

L

A

A

D

D

A

A

K

L

L

L

D

D

S

S

V

V

P

P

I

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

T

L

R

G

R

L

M

V

I

G

G

T

T

D

D

A

A

F

F

Q
|
Q

E

E

M

T

D

P

I

I

Y

V

G

E

M

V

S

T

I

R

P

S

V

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

S

D

A

V

R

E

E

D

L

I

L

P

H

R

V

I

I

I

P

E

E

E

A

A

F

F

R

F

I

L

A

A

A

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K

K

D

D

I

I

Q

Q

C

Q

Q

Q

S

L

V

A

T

I

F

P

D

N

M

W

L

E

P

Q

A

A

-

M

-

R

-

L

P

P

G

G

T

Y

P

M

E

S

T

R

S

M

P

P

D

K

P

P

D

P

I

E

D

D

-

S

Q

H

L

L

N

E

R

Q

A

I

A

V

E

R

M

L

I

I

S

S

R

E

S

S

R

K

K

K

P

P

I

V

L

L

Y

Y

L

V

G
|
G

V

C

T

L

Q

N

S

S

G

-

A

-

S

S

E

D

T

E

A

L

T

G

R

R

L

F

A

V

E

E

K

L

N

T

T

G

L

I

P

P

S

V

V

A

M

S

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

M

Y

P

P

H

C

S

D

H

D

P

E

L

L

S

S

L

L

G

H

M
|
M

L
|
L

G

G

M
|
M

H
|
H

A

G

A

T

K

V

H

Y

T

A

N

N

L

Y

A

A

L

V

Q

E

E

H

C

S

D

D

L

L

I

L

A

A

A

F

G
|
G

V

V

R
|
R

F

F

D

D

R
|
R

A
x
V

T

T

G

G

R

K

L

L

E

E

E

A

F

F

C

A

P

S

D

R

A

A

D

K

I

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

E

E

L

I

G

G

K

K

L

N

K

K

T

T

D

P

C

H

V

V

G

S

I

V

V

C

C

G

D
|
D

V
|
V

K

K

T

L

A

A

L

L

E

Q

H

G

L

M

L

N

A

K

N

V

V

L

Q

E

D

N

K

R

Q

A

R

E

-

E

-

L

-

K

-

L

-

D

-

F

G

G

E

V

W

W

V

R

D

N

R

E

I

L

A

N

T

V

L

Q

K

K

R

Q

D

K

F

F

P

P

A

L

L

S

L

F

P

K

K

T

T

F

A

G

S

E

P

A

L

I

S

P

P

P

Y

Q

G
x
Y

L

A

V

I

R

K

H

V

A

L

A

D

E

E

Y

L

V

T

G

D

P

G

D

K

A

A

I

I

V

I

T

S

T

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

R

W

A

A

Q

Q

A

F

Y

Y

P

N

V

Y

T

K

R

K

A

P

R

R

Q

Q

F

W

L

L

T

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

I

I

G

G

A

A

A

S

L

V

A

A

H

N

P

P

D

D

R

A

S

I

V

V

I

V

C

D

F

I

T

D

G
|
G

D
|
D

G
|
G

S
|
S

L

F

L

I

M
|
M

N

N

I

V

Q
|
Q

E

E

L

L

A

A

T

T

A

I

A

R

E

V

H

E

N

N

L

L

N

P

I

V

K

K

I

V

V

L

L

L

A

L

D

N

N
|
N

R

Q

A
x
H

L
|
L

G
|
G

L
x
M

V
|
V

Q

M

Q

Q

Q
x
W

Q

E

E

D

L

R

F

F

Y

Y

E

K

N

A

R

N

K

R

F

A

A

H

S

T

S

F

Y

L

G

G

N

D

A

P

L

A

-

Q

-

E

-

D

-

E

-

I

-

F

-

P

D

N

F

M

T

L

I

F

A

A

K

A

G

A

F

C

G

G

I

I

A

P

S

A

A

A

D

R

L

V

A

T

N

K

S
x
K

E

A

D

D

P

L

A

R

S

E

D

A

L

I

R

Q

D

T

I

M

L

L

G

D

S

T

N

P

G

G

P

P

A

Y

L

L

I

L

R

D

I

V

P

I

V

C

N

P

A

H

A

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

P
x
S

G

G

A

G

A

T

-

F

N

N

T

D

T

V

M

I

I

T

E

E

G

G

binding 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid: M266 (= M256), R292 (= R282), W489 (≠ Q473), S568 (≠ P545)
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 (= V384), G401 (= G385), Q402 (= Q386), H403 (= H387), G426 (= G410), M428 (= M412), G452 (= G436), D453 (= D437), G454 (= G438), S455 (= S439), L483 (= L467), G484 (= G468), M485 (≠ L469), V486 (= V470)
binding flavin-adenine dinucleotide: R161 (= R153), G222 (= G210), G223 (= G211), G224 (= G212), T246 (= T236), L247 (= L237), M248 (= M238), M263 (= M253), L264 (= L254), M266 (= M256), H267 (= H257), G286 (= G276), R288 (= R278), V293 (≠ A283), D310 (= D300), I311 (= I301), D329 (= D319), V330 (= V320), M405 (= M389), G423 (= G407)
binding magnesium ion: A37 (≠ T29), T82 (= T74), S83 (= S75), Q122 (= Q114), Y381 (≠ G365), D453 (= D437), M458 (= M442), Q461 (= Q445), N480 (= N464), H482 (≠ A466), K533 (≠ S510)

6demA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide bensulfuron methyl (see paper)
40% identity, 97% coverage: 4:548/559 of query aligns to 12:570/597 of 6demA

query
sites
6demA

M

L

T

T

G

G

A

G

E

E

L

I

L

F

I

H

R

E

L

M

E

L

R

R

Q

H

E

K

I

V

T

D

T

T

V

V

A

F

G

G

I
x
Y

P

A

G
|
G

T
x
A

N
x
I

L

L

P

P

I

V

Y

F

D

D

A

A

L

I

G

Y

R

N

S

S

S

D

R

K

I

F

R

K

H

F

V

V

L

L

A

P

R

R

H

H

E
|
E

Q

Q

G

G

A

A

A

G

F

H

M

M

A

A

Q

E

G

G

M

Y

A

A

R

R

S

A

T

S

G

G

K

K

P

P

A

G

V

V

C

V

M

L

A

V

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

V

L

I

T

T

A

P

I

M

A

A

D

D

A

A

K

L

L

M

D

D

S

G

V

V

P

P

I

L

V

V

C

V

I

F

T

S

G

G

Q

Q

V

V

P

P

L

T

G

T

L

A

V

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

M

A

D

D

I

I

Y

V

G

G

M

I

S

S

I

R

P

S

V

C

T

T

K

K

H

W

N

N

Y

V

L

M

V

V

R

K

S

N

A

V

R

A

E

E

L

L

L

P

H

R

V

R

I

I

P

N

E

E

A

A

F

F

R

E

I

I

A

A

A

T

S

T

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

L

P

P

K
|
K

D

D

I

V

Q

T

C

A

Q

-

S

S

V

I

T

L

F

R

D

E

M

S

L

I

P

P

A

I

P

N

G

T

T

T

P

L

E

P

T

S

S

V

P

S

D

E

P

F

D

T

I

S

D

E

Q

A

L

I

N

K

R

R

A

A

E

N

M

I

I

L

S

N

R

K

S

A

R

K

K

K

P

P

I

I

L

I

Y

Y

L

A

G
|
G

G
x
A

G
|
G

V

I

-

L

T
x
N

Q

N

S

E

G

Q

A

G

S

P

E
x
K

T

L

A

L

T

K

R

E

L

L

A

A

E

D

K

K

N

A

T

N

L

I

P

P

S

V

V

T

M

T

T
|
T

L
|
L

M
x
Q

G

G

L

L

G

G

A

A

M

F

P

D

H

Q

S

R

H

D

P

P

L

K

S

S

L

L

G

D

M

M

L
|
L

G

G

M
|
M

H

H

A

G

A

S

K

A

H

A

T

A

N

N

L

T

A

A

L

I

Q

Q

E

N

C

A

D

D

L

C

L

I

I

I

A

A

A

L

G
|
G

V
x
A

R
|
R

F

F

D
|
D

R
|
R

A
x
V

T

T

G

G

R

N

L

I

E

S

E

K

F

F

C

A

P

P

D

E

A

A

D

K

-

L

-

A

-

S

-

E

-

G

-

R

-

G

I

I

I

L

H

H

I

F

D
x
E

I
|
I

D

S

P

P

S

K

E
x
N

L

I

G

N

K

K

L

V

K

V

T

E

D

A

C

T

V

E

G

A

I

I

V

E

C

G

D
|
D

V
|
V

K

T

T

A

A

N

L

L

E

Q

H

S

L

F

L

I

A

P

N

L

V

V

Q

D

D

S

-

I

K

E

Q

N

R

R

G

P

E

E

W

W

V

F

D

N

R

K

I

I

A

N

T

E

L

W

K

K

R

K

D

K

F

Y

P

P

-

Y

-

S

A

Y

L

Q

L

L

P

E

K

T

T

P

A

G

S

S

P

L

L

I

S

K

P

P

Y

Q

G

T

L

L

V

I

R

K

H

E

-

I

-

S

-

D

A

Q

A

A

E

Q

Y

T

V

Y

G

N

P

K

D

E

A

V

I

I

V

V

T

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

R

W

A

A

Q

Q

A

H

Y

F

P

T

V

W

T

T

R

Q

A

P

R

R

Q

T

F

M

L

I

T

T

S

S

G
|
G

G

G

L
|
L

G
|
G

T

T

M
|
M

G

G

F

Y

G

G

L

L

P

P

A

A

I

I

G

G

A

A

A

Q

L

V

A

A

H

K

P

P

D

D

R

A

S

I

V

V

I

I

C

D

F

I

T

D

G
|
G

D
|
D

G
x
A

S
|
S

L

F

L

N

M
|
M

N

T

I

L

Q

T

E

E

L

L

A

S

T

S

A

A

A

V

E

Q

H

A

N

G

L

A

N

P

I

I

K

K

I

V

V

C

L

V

A

L

D

N

N
|
N

R

E

A
x
E

L
x
Q

G
|
G

L
x
M

V
|
V

Q

T

Q

Q

Q
x
W

Q

Q

E

S

L

L

F

F

Y

Y

E

E

N

H

R

R

K

-

F

Y

A

S

S

H

S

T

Y

H

G

Q

N

S

A

N

L

P

D

D

F

F

T

M

T

K

I
x
L

A

A

K

E

G

S

F

M

G
x
N

I
x
V

A

K

S

G

A

I

D

R

L

I

A

T

N

N

S

Q

E

Q

D

E

P

L

A

K

S

S

D

G

L

V

R

K

D

E

I

F

L

L

G

D

S

A

N

T

G

E

P

P

A

V

L

L

I

L

R

E

I

V

P

I

V

V

N

E

A

K

E

V

N

P

V

V

Y

L

P

P

M

M

V

V

P

P

P
x
A

G

G

A

K

A

A

active site: Y33 (≠ I25), G35 (= G27), G36 (= G28), A37 (≠ T29), I38 (≠ N30), E59 (= E51), T82 (= T74), F121 (= F113), Q122 (= Q114), E123 (= E115), K171 (= K163), K228 (≠ E220), M264 (= M256), V291 (≠ A283), V407 (= V384), L432 (= L409), G433 (= G410), M435 (= M412), D460 (= D437), N487 (= N464), E489 (≠ A466), Q490 (≠ L467), M492 (≠ L469), V493 (= V470), W496 (≠ Q473), L518 (≠ I496), N523 (≠ G501), V524 (≠ I502)
binding methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate: M264 (= M256), D289 (= D281), R290 (= R282), M492 (≠ L469), W496 (≠ Q473), A567 (≠ P545)
binding flavin-adenine dinucleotide: R161 (= R153), G217 (= G210), A218 (≠ G211), G219 (= G212), N222 (≠ T214), T244 (= T236), L245 (= L237), Q246 (≠ M238), L262 (= L254), G284 (= G276), A285 (≠ V277), R286 (= R278), D288 (= D280), R290 (= R282), V291 (≠ A283), E317 (≠ D300), I318 (= I301), N322 (≠ E305), D336 (= D319), V337 (= V320), M412 (= M389), G430 (= G407)
binding magnesium ion: D460 (= D437), N487 (= N464), E489 (≠ A466)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V407 (= V384), G408 (= G385), Q409 (= Q386), H410 (= H387), M435 (= M412), G459 (= G436), D460 (= D437), A461 (≠ G438), S462 (= S439), M465 (= M442), N487 (= N464), E489 (≠ A466), Q490 (≠ L467), G491 (= G468), M492 (≠ L469), V493 (= V470)

Query Sequence

>WP_018125050.1 NCBI__GCF_000375485.1:WP_018125050.1
MPSMTGAELLIRLLERQEITTVAGIPGGTNLPIYDALGRSSRIRHVLARHEQGAAFMAQG
MARSTGKPAVCMATSGPGATNLLTAIADAKLDSVPIVCITGQVPLGLVGTDAFQEMDIYG
MSIPVTKHNYLVRSARELLHVIPEAFRIAASGRPGPVLVDIPKDIQCQSVTFDMLPAPGT
PETSPDPDIDQLNRAAEMISRSRKPILYLGGGVTQSGASETATRLAEKNTLPSVMTLMGL
GAMPHSHPLSLGMLGMHAAKHTNLALQECDLLIAAGVRFDDRATGRLEEFCPDADIIHID
IDPSELGKLKTDCVGIVCDVKTALEHLLANVQDKQRGEWVDRIATLKRDFPALLPKTASP
LSPYGLVRHAAEYVGPDAIVTTDVGQHQMRAAQAYPVTRARQFLTSGGLGTMGFGLPAAI
GAALAHPDRSVICFTGDGSLLMNIQELATAAEHNLNIKIVLADNRALGLVQQQQELFYEN
RKFASSYGNALDFTTIAKGFGIASADLANSEDPASDLRDILGSNGPALIRIPVNAAENVY
PMVPPGAANTTMIEGAAND

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