SitesBLAST

5k3sA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, bispyribac-sodium (see paper)
47% identity, 96% coverage: 7:566/586 of query aligns to 14:576/583 of 5k3sA

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active site: Y33 (= Y26), G35 (= G28), G36 (= G29), A37 (= A30), S38 (≠ V31), E59 (= E52), T82 (= T75), F121 (= F114), Q122 (= Q115), E123 (= E116), K171 (= K164), M266 (= M261), V293 (≠ I288), V400 (= V397), G426 (= G423), M428 (= M425), D453 (≠ E450), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), M485 (= M482), V486 (= V483), W489 (= W486), H558 (≠ R548)
binding 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid: R292 (= R287), M485 (= M482), W489 (= W486), G569 (= G559)
binding flavin-adenine dinucleotide: R161 (= R154), G222 (= G213), G223 (= G214), G224 (= G215), T246 (= T241), L247 (= L242), M248 (= M243), L264 (= L259), M266 (= M261), G286 (= G281), R288 (= R283), D290 (= D285), V293 (≠ I288), D310 (= D305), I311 (= I306), D329 (= D324), V330 (≠ C325), M405 (= M402), G423 (= G420)
binding magnesium ion: D453 (≠ E450), N480 (= N477), H482 (≠ Y479)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V397), G401 (= G398), Q402 (= Q399), H403 (= H400), G426 (= G423), M428 (= M425), D453 (≠ E450), G454 (≠ A451), S455 (= S452), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), G484 (= G481), M485 (= M482), V486 (= V483)

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)
47% identity, 96% coverage: 7:566/586 of query aligns to 99:661/670 of P17597

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P17597

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A122 (= A30) mutation to V: Reduced catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.
M124 (≠ L32) 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 (= E52) binding thiamine diphosphate
S186 (= S94) binding FAD
P197 (= P105) mutation to S: In csr1-1/GH50; resistant to sulfonylurea but not to imidazolinone herbicides.
R199 (≠ H107) mutation R->A,E: No effect on catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.
Q207 (= Q115) binding thiamine diphosphate
K220 (= K128) binding (R)-imazaquin
R246 (= R154) binding (R)-imazaquin; binding FAD
K256 (= K164) binding chlorimuron-ethyl
G308 (= G214) binding FAD
TL 331:332 (= TL 241:242) binding FAD
C340 (≠ A250) modified: Cysteine sulfinic acid (-SO2H)
LGMH 349:352 (= LGMH 259:262) binding FAD
GVRFD 371:375 (≠ GARFD 281:285) binding FAD
DR 376:377 (= DR 286:287) binding chlorimuron-ethyl
DI 395:396 (= DI 305:306) binding FAD
DV 414:415 (≠ DC 324:325) binding FAD
QH 487:488 (= QH 399:400) binding thiamine diphosphate
GG 508:509 (= GG 420:421) binding FAD
GAM 511:513 (≠ GTM 423:425) binding thiamine diphosphate
D538 (≠ E450) binding Mg(2+)
DGS 538:540 (≠ EAS 450:452) binding thiamine diphosphate
N565 (= N477) binding Mg(2+)
NQHLGM 565:570 (≠ NQYMGM 477:482) binding thiamine diphosphate
H567 (≠ Y479) binding Mg(2+)
W574 (= W486) 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 (= S558) 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.

8et4A Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with amidosulfuron (see paper)
47% identity, 96% coverage: 7:566/586 of query aligns to 14:576/582 of 8et4A

query
sites
8et4A

G

G

A

A

Q

D

M

I

V

L

V

V

T

E

A

A

L

L

K

E

D

R

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Q

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G

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T

I

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F

F

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A

Y

Y

P

P

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G

A

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E

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I

Y

H

D

Q

A

A

L

L

F

T

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S

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I

K

R

H

N

V

V

L

L

V

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R

R

H

H

E

E

Q

Q

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G

A

G

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V

H

F

A

A

E

E

G

G

Y

Y

A

A

R

R

S

S

G

G

K

K

I

P

G

G

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I

V

C

L

I

V

A

T

T

S

S

G

G

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P

G

G

A

A

T

T

N

N

A

L

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S

G

G

L

L

T

A

D

D

A

A

L

L

D

D

S

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P

L

L

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C

A

I

I

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T

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G

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E

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T

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K

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H

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I

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A

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F

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R

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G

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L

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F

Q

A

Q

L

L

G

A

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I

Y

-

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-

G

-

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-

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N

I

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P

A

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F

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-

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L

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G

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-

S

-

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L

-

L

L

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G

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E

L

L

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T

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T

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M

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I

binding 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate: V400 (= V397), G401 (= G398), Q402 (= Q399), H403 (= H400), G426 (= G423), M428 (= M425), G452 (= G449), D453 (≠ E450), G454 (≠ A451), S455 (= S452), M458 (= M455), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), G484 (= G481), M485 (= M482), V486 (= V483)
binding flavin-adenine dinucleotide: R161 (= R154), G222 (= G213), G223 (= G214), G224 (= G215), T246 (= T241), L247 (= L242), M248 (= M243), L264 (= L259), M266 (= M261), H267 (= H262), G286 (= G281), V287 (≠ A282), R288 (= R283), D290 (= D285), R292 (= R287), V293 (≠ I288), D310 (= D305), I311 (= I306), D329 (= D324), V330 (≠ C325), M405 (= M402), G423 (= G420)
binding magnesium ion: F370 (≠ Y366), D453 (≠ E450), M458 (= M455), Q461 (= Q458), N480 (= N477), H482 (≠ Y479), K533 (≠ P523)
binding N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide: M266 (= M261), R292 (= R287), M485 (= M482), W489 (= W486), S568 (= S558)

5wj1A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam (see paper)
47% identity, 96% coverage: 7:566/586 of query aligns to 14:576/582 of 5wj1A

query
sites
5wj1A

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I

I

active site: Y33 (= Y26), G35 (= G28), G36 (= G29), A37 (= A30), S38 (≠ V31), E59 (= E52), T82 (= T75), F121 (= F114), Q122 (= Q115), E123 (= E116), K171 (= K164), M266 (= M261), V293 (≠ I288), V400 (= V397), G426 (= G423), M428 (= M425), D453 (≠ E450), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), M485 (= M482), V486 (= V483), W489 (= W486), H558 (≠ R548)
binding flavin-adenine dinucleotide: R161 (= R154), G222 (= G213), G223 (= G214), G224 (= G215), T246 (= T241), L247 (= L242), M248 (= M243), M263 (= M258), L264 (= L259), G286 (= G281), R288 (= R283), V293 (≠ I288), D310 (= D305), I311 (= I306), D329 (= D324), V330 (≠ C325), M405 (= M402), G423 (= G420), G424 (= G421)
binding magnesium ion: D453 (≠ E450), N480 (= N477), H482 (≠ Y479)
binding 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide: M266 (= M261), D291 (= D286), R292 (= R287), M485 (= M482), W489 (= W486), S568 (= S558)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V397), G401 (= G398), Q402 (= Q399), H403 (= H400), M428 (= M425), D453 (≠ E450), G454 (≠ A451), S455 (= S452), M458 (= M455), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), G484 (= G481), M485 (= M482), V486 (= V483)

5k6tA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, propoxycarbazone-sodium (see paper)
47% identity, 96% coverage: 7:566/586 of query aligns to 14:576/582 of 5k6tA

query
sites
5k6tA

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I

I

active site: Y33 (= Y26), G35 (= G28), G36 (= G29), A37 (= A30), S38 (≠ V31), E59 (= E52), T82 (= T75), F121 (= F114), Q122 (= Q115), E123 (= E116), K171 (= K164), M266 (= M261), V293 (≠ I288), V400 (= V397), G426 (= G423), M428 (= M425), D453 (≠ E450), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), M485 (= M482), V486 (= V483), W489 (= W486), H558 (≠ R548)
binding methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate: H267 (= H262), R292 (= R287), M485 (= M482), W489 (= W486), S568 (= S558)
binding flavin-adenine dinucleotide: R161 (= R154), G222 (= G213), G223 (= G214), G224 (= G215), T246 (= T241), L247 (= L242), M248 (= M243), L264 (= L259), G286 (= G281), R288 (= R283), D290 (= D285), R292 (= R287), V293 (≠ I288), D310 (= D305), I311 (= I306), D329 (= D324), V330 (≠ C325), Q404 (= Q401), M405 (= M402), G423 (= G420)
binding magnesium ion: D453 (≠ E450), N480 (= N477), H482 (≠ Y479)
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 (= V397), G401 (= G398), Q402 (= Q399), H403 (= H400), G426 (= G423), M428 (= M425), G452 (= G449), G454 (≠ A451), S455 (= S452), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), G484 (= G481)

5k6rA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, thiencarbazone-methyl (see paper)
47% identity, 96% coverage: 7:566/586 of query aligns to 14:576/582 of 5k6rA

query
sites
5k6rA

G

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P

P

V

Y

L

L

F

L

D

D

C

V

I

I

V

C

D

P

R
x
H

E

Q

E

E

N

H

C

V

L

L

P

P

M

M

I

I

P

P

S
|
S

G

G

K

G

A

T

H

F

N

N

E

D

M

V

I

I

active site: Y33 (= Y26), G35 (= G28), G36 (= G29), A37 (= A30), S38 (≠ V31), E59 (= E52), T82 (= T75), F121 (= F114), Q122 (= Q115), E123 (= E116), K171 (= K164), M266 (= M261), V293 (≠ I288), V400 (= V397), G426 (= G423), M428 (= M425), D453 (≠ E450), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), M485 (= M482), V486 (= V483), W489 (= W486), H558 (≠ R548)
binding methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate: R292 (= R287), W489 (= W486), S568 (= S558)
binding flavin-adenine dinucleotide: R161 (= R154), G222 (= G213), G223 (= G214), G224 (= G215), T246 (= T241), L247 (= L242), M248 (= M243), L264 (= L259), M266 (= M261), G286 (= G281), R288 (= R283), R292 (= R287), V293 (≠ I288), D310 (= D305), I311 (= I306), G328 (= G323), D329 (= D324), V330 (≠ C325), M405 (= M402), G423 (= G420)
binding magnesium ion: D453 (≠ E450), N480 (= N477), H482 (≠ Y479)
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 (= V397), G401 (= G398), Q402 (= Q399), H403 (= H400), G426 (= G423), M428 (= M425), D453 (≠ E450), G454 (≠ A451), S455 (= S452), M458 (= M455), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), G484 (= G481), M485 (= M482), V486 (= V483)

1z8nA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with an imidazolinone herbicide, imazaquin (see paper)
47% identity, 96% coverage: 7:566/586 of query aligns to 14:576/582 of 1z8nA

query
sites
1z8nA

G

G

A

A

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I

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A

A

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E

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Q

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x
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E

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I

Y

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A

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E
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E

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Q

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G

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G

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E

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Y

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T

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G

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P

G

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A

A

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N

N

A

L

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G

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D

A

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E

I

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R

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K

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H

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E

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I

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K

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-

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-

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Y

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R

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-

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S

A

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A

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P

I

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F

L

Y

Y

T

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G
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G

G

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G
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G

I

C

I

L

N

N

S

S

G

S

P

D

E

E

A

-

S

-

A

-

L

-

L

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R

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x
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x
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I

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M

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I

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Q

E

E

L

L

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A

I

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F

E

R

N

L

L

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P

V

V

K

K

I

V

F

L

I

L

L

L

N

N

N
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Y
x
H

M
x
L

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G

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M

V
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V

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Q

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W
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W

Q

E

E

D

L

R

L

F

H

Y

G

K

G

A

R

N

Y

R

S

A

E

H

S

T

Y

F

-

L

-

G

-

D

-

P

-

A

-

Q

-

E

S

D

E

E

A

I

L

F

P

P

D

N

F

M

V

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

C

I

H

P

G

A

I

A

R

R

C

V

A

T

D

K

P

K

N

A

T

D

L

L

D

R

A

E

A

A

I

I

L

Q

E

T

M

M

I

L

E

D

T

T

P

P

K

G

P

P

V

Y

L

L

F

L

D

D

C

V

I

I

V

C

D

P

R
x
H

E

Q

E

E

N

H

C

V

L

L

P

P

M

M

I

I

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S

S

G
|
G

K

G

A

T

H

F

N

N

E

D

M

V

I

I

active site: Y33 (= Y26), G35 (= G28), G36 (= G29), A37 (= A30), S38 (≠ V31), E59 (= E52), T82 (= T75), F121 (= F114), Q122 (= Q115), E123 (= E116), K171 (= K164), M266 (= M261), V293 (≠ I288), V400 (= V397), G426 (= G423), M428 (= M425), D453 (≠ E450), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), M485 (= M482), V486 (= V483), W489 (= W486), H558 (≠ R548)
binding 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)quinoline-3-carboxylic acid: K135 (= K128), R161 (= R154), Y191 (≠ F188), R194 (≠ D191), D291 (= D286), R292 (= R287), D312 (= D307), W489 (= W486), G569 (= G559)
binding flavin-adenine dinucleotide: R161 (= R154), G222 (= G213), G224 (= G215), T246 (= T241), L247 (= L242), M248 (= M243), L264 (= L259), G265 (= G260), M266 (= M261), H267 (= H262), G286 (= G281), V287 (≠ A282), R288 (= R283), D290 (= D285), R292 (= R287), V293 (≠ I288), D310 (= D305), I311 (= I306), D329 (= D324), V330 (≠ C325), M405 (= M402), G423 (= G420), G424 (= G421)
binding magnesium ion: D453 (≠ E450), N480 (= N477)
binding thiamine diphosphate: V400 (= V397), G401 (= G398), Q402 (= Q399), H403 (= H400), G426 (= G423), M428 (= M425), G452 (= G449), G454 (≠ A451), S455 (= S452), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), G484 (= G481), M485 (= M482), V486 (= V483)

1yi1A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl (see paper)
47% identity, 96% coverage: 7:566/586 of query aligns to 14:576/582 of 1yi1A

query
sites
1yi1A

G

G

A

A

Q

D

M

I

V

L

V

V

T

E

A

A

L

L

K

E

D

R

Q

Q

G

G

V

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E

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T

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F

F

G

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Y
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Y

P

P

G
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G

A
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A

V
x
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P

E

I

I

Y

H

D

Q

A

A

L

L

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S

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S

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K

R

H

N

V

V

L

L

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R

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H

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E
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E

Q

Q

G

G

A

G

V

V

H

F

A

A

E

E

G

G

Y

Y

A

A

R

R

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S

G

G

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K

I

P

G

G

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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

A

L

V

V

T

S

G

G

L

L

T

A

D

D

A

A

L

L

D

D

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P

L

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V

C

A

I

I

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T

G

G

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Q

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G

E

I

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K

H

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I

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A

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R

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I

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K

D

D

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Q

F

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A

Q

L

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-

A

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G

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G

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Y

C

G

G

C

I

H

P

G

A

I

A

R

R

C

V

A

T

D

K

P

K

N

A

T

D

L

L

D

R

A

E

A

A

I

I

L

Q

E

T

M

M

I

L

E

D

T

T

P

P

K

G

P

P

V

Y

L

L

F

L

D

D

C

V

I

I

V

C

D

P

R
x
H

E

Q

E

E

N

H

C

V

L

L

P

P

M

M

I

I

P

P

S
|
S

G

G

K

G

A

T

H

F

N

N

E

D

M

V

I

I

active site: Y33 (= Y26), G35 (= G28), G36 (= G29), A37 (= A30), S38 (≠ V31), E59 (= E52), T82 (= T75), F121 (= F114), Q122 (= Q115), E123 (= E116), K171 (= K164), M266 (= M261), V293 (≠ I288), V400 (= V397), G426 (= G423), M428 (= M425), D453 (≠ E450), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), M485 (= M482), V486 (= V483), W489 (= W486), H558 (≠ R548)
binding methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate: D291 (= D286), R292 (= R287), W489 (= W486), S568 (= S558)
binding flavin-adenine dinucleotide: R161 (= R154), G223 (= G214), G224 (= G215), T246 (= T241), L247 (= L242), M248 (= M243), M263 (= M258), L264 (= L259), G265 (= G260), M266 (= M261), H267 (= H262), G286 (= G281), V287 (≠ A282), R288 (= R283), D290 (= D285), V293 (≠ I288), D310 (= D305), I311 (= I306), D329 (= D324), V330 (≠ C325), M405 (= M402), G423 (= G420), G424 (= G421)
binding magnesium ion: D453 (≠ E450), N480 (= N477), H482 (≠ Y479)

1yi0A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, sulfometuron methyl (see paper)
47% identity, 96% coverage: 7:566/586 of query aligns to 14:576/582 of 1yi0A

query
sites
1yi0A

G

G

A

A

Q

D

M

I

V

L

V

V

T

E

A

A

L

L

K

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D

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Q

G

G

V

V

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T

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F

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Y
|
Y

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G
|
G

A
|
A

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x
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L

M

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I

I

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|
E

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Q

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G

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V

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A

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E

G

G

Y

Y

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A

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G

K

K

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G

G

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I

V

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L

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A

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|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

A

L

V

V

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G

G

L

L

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A

D

D

A

A

L

L

D

D

S

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V

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T

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G

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D

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|
F

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Q

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|
E

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I

V

V

G

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K

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N

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|
R

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D

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|
K

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L

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|
G

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N

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-

S

-

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L

-

L

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T

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G

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|
T

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|
L

M
|
M

G

G

L

L

G

G

A

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Y

Y

P

P

A

C

S

D

P

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L

W

S

L

L

G

H

M

M

L
|
L

G
|
G

M
|
M

H
|
H

G

G

T

T

Y

V

E

Y

A

A

N

N

N

Y

A

A

M

V

H

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D

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C

S

D

D

L

L

M

L

I

L

A

A

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F

G
|
G

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x
V

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|
R

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|
D

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|
R

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x
V

T

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G

G

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K

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|
D

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|
I

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|
G

D
|
D

C
x
V

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A

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M

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N

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|
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|
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|
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|
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A

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A

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A

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A

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I

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T

M

M

I

L

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T

T

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P

K

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L

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H

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L

L

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P

M

M

I

I

P

P

S
|
S

G

G

K

G

A

T

H

F

N

N

E

D

M

V

I

I

active site: Y33 (= Y26), G35 (= G28), G36 (= G29), A37 (= A30), S38 (≠ V31), E59 (= E52), T82 (= T75), F121 (= F114), Q122 (= Q115), E123 (= E116), K171 (= K164), M266 (= M261), V293 (≠ I288), V400 (= V397), G426 (= G423), M428 (= M425), D453 (≠ E450), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), M485 (= M482), V486 (= V483), W489 (= W486), H558 (≠ R548)
binding methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D291 (= D286), R292 (= R287), W489 (= W486), S568 (= S558)
binding flavin-adenine dinucleotide: R161 (= R154), G222 (= G213), G223 (= G214), G224 (= G215), T246 (= T241), L247 (= L242), M248 (= M243), L264 (= L259), G265 (= G260), M266 (= M261), H267 (= H262), G286 (= G281), V287 (≠ A282), R288 (= R283), D290 (= D285), R292 (= R287), V293 (≠ I288), D310 (= D305), I311 (= I306), G328 (= G323), D329 (= D324), V330 (≠ C325), M405 (= M402), G423 (= G420), G424 (= G421)
binding magnesium ion: D453 (≠ E450), N480 (= N477), H482 (≠ Y479)

1yhzA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron (see paper)
47% identity, 96% coverage: 7:566/586 of query aligns to 14:576/582 of 1yhzA

query
sites
1yhzA

G

G

A

A

Q

D

M

I

V

L

V

V

T

E

A

A

L

L

K

E

D

R

Q

Q

G

G

V

V

D

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T

T

I

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F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

V
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

F

T

H

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N

S

S

S

V

I

K

R

H

N

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V

L

L

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R

H

H

E
|
E

Q

Q

G

G

A

G

V

V

H

F

A

A

E

E

G

G

Y

Y

A

A

R

R

S

S

G

G

K

K

I

P

G

G

V

I

V

C

L

I

V

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

A

L

V

V

T

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G

G

L

L

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D

A

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L

L

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|
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L

D

D

C

V

I

I

V

C

D

P

R
x
H

E

Q

E

E

N

H

C

V

L

L

P

P

M

M

I

I

P

P

S
|
S

G

G

K

G

A

T

H

F

N

N

E

D

M

V

I

I

active site: Y33 (= Y26), G35 (= G28), G36 (= G29), A37 (= A30), S38 (≠ V31), E59 (= E52), T82 (= T75), F121 (= F114), Q122 (= Q115), E123 (= E116), K171 (= K164), M266 (= M261), V293 (≠ I288), V400 (= V397), G426 (= G423), M428 (= M425), D453 (≠ E450), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), M485 (= M482), V486 (= V483), W489 (= W486), H558 (≠ R548)
binding 1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea: D291 (= D286), R292 (= R287), M485 (= M482), W489 (= W486), S568 (= S558)
binding flavin-adenine dinucleotide: R161 (= R154), G223 (= G214), G224 (= G215), T246 (= T241), L247 (= L242), M248 (= M243), L264 (= L259), M266 (= M261), H267 (= H262), G286 (= G281), V287 (≠ A282), R288 (= R283), D290 (= D285), V293 (≠ I288), D310 (= D305), I311 (= I306), D329 (= D324), V330 (≠ C325), Q404 (= Q401), M405 (= M402), G423 (= G420), G424 (= G421)
binding magnesium ion: D453 (≠ E450), N480 (= N477), H482 (≠ Y479)

1yhyA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, metsulfuron methyl (see paper)
47% identity, 96% coverage: 7:566/586 of query aligns to 14:576/582 of 1yhyA

query
sites
1yhyA

G

G

A

A

Q

D

M

I

V

L

V

V

T

E

A

A

L

L

K

E

D

R

Q

Q

G

G

V

V

D

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

V
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

F

T

H

R

Q

S

N

S

S

S

V

I

K

R

H

N

V

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

V

V

H

F

A

A

E

E

G

G

Y

Y

A

A

R

R

S

S

G

G

K

K

I

P

G

G

V

I

V

C

L

I

V

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

A

L

V

V

T

S

G

G

L

L

T

A

D

D

A

A

L

L

D

D

S

S

I

V

P

P

L

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

T

R

H

R

L

M

I

I

G

G

S

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

C

T

D

P

T

I

V

V

G

E

I

V

T

T

R

R

H

S

C

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

Q

D

V

V

E

E

D

D

L

I

P

P

R

R

I

I

L

I

H

E

E

E

A

A

F

F

Y

F

V

L

A

A

Q

T

H

S

G

G

R
|
R

P

P

G

G

P

P

V

V

V

L

I

V

D

D

I

V

P

P

K
|
K

D

D

V

I

Q

Q

F

Q

A

Q

L

L

G

A

L

I

Y

-

A

-

G

-

P

-

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N

N

I

W

E

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H

Q

K

A

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M

Y

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K

L

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P

A

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H

I

L

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W

L

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I

A

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A

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A

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K

K

R

K

P

P

I

V

F

L

Y

Y

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V

G
|
G

I

C

I

L

N

N

S

S

G

S

P

D

E

E

A

-

S

-

A

-

L

-

L

L

R

G

E

R

L

F

V

V

D

E

L

L

T

T

G

G

A

I

P

P

I

V

T

A

S

S

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

Y

Y

P

P

A

C

S

D

P

E

R

L

W

S

L

L

G

H

M

M

L
|
L

G
|
G

M
|
M

H
|
H

G

G

T

T

Y

V

E

Y

A

A

N

N

N

Y

A

A

M

V

H

E

D

H

C

S

D

D

L

L

M

L

I

L

A

A

I

F

G
|
G

A
x
V

R
|
R

F

F

D
|
D

R
|
R

I
x
V

T

T

G

G

R

K

I

L

D

E

A

A

F

F

S

A

P

S

G

R

S

A

R

K

K

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

S

E

I

I

N

G

K

K

T

N

V

K

K

T

V

P

D

H

L

V

G

S

I

V

V

C

G

G

D
|
D

C
x
V

T

K

A

L

V

A

L

L

R

Q

D

G

M

M

-

N

-

K

V

V

A

L

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W

N

K

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A

R

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H

E

L

L

A

K

C

L

D

D

A

F

A

G

V

V

L

-

Q

-

K

-

W

W

W

R

Q

N

E

E

I

L

D

N

H

V

W

Q

R

K

A

Q

R

K

K

F

S

P

L

L

A

S

Y

F

R

K

A

T

S

F

N

G

K

E

V

A

I

I

K

P

P

P

Q

Q

Y

Y

A

A

I

I

Q

K

R

V

L

L

F

D

E

E

L

L

T

T

R

D

G

G

R

K

D

-

T

A

Y

I

I

I

S

S

T

T

E

G

V
|
V

G

G

Q

Q

H

H

Q
|
Q

M
|
M

W

W

A

A

Q

Q

H

F

Y

Y

H

N

F

Y

D

K

E

K

P

P

N

R

R

Q

W

W

M

L

T

S

S

S

G
|
G

L

L

G
|
G

T

A

M
|
M

G

G

Y

F

G

G

L

L

P

P

A

A

I

I

G

G

A

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M

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A

A

H

N

P

P

G

D

S

A

L

I

V

V

D

D

I

I

A

D

G

G

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x
D

A

G

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S

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F

L

I

M

M

N

N

I

V

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E

L

L

S

A

T

T

A

I

V

R

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V

F

E

R

N

L

L

P

P

V

V

K

K

I

V

F

L

I

L

L

L

N

N

N
|
N

Q

Q

Y
x
H

M
x
L

G

G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

E

D

L

R

L

F

H

Y

G

K

G

A

R

N

Y

R

S

A

E

H

S

T

Y

F

-

L

-

G

-

D

-

P

-

A

-

Q

-

E

S

D

E

E

A

I

L

F

P

P

D

N

F

M

V

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

C

I

H

P

G

A

I

A

R

R

C

V

A

T

D

K

P

K

N

A

T

D

L

L

D

R

A

E

A

A

I

I

L

Q

E

T

M

M

I

L

E

D

T

T

P

P

K

G

P

P

V

Y

L

L

F

L

D

D

C

V

I

I

V

C

D

P

R
x
H

E

Q

E

E

N

H

C

V

L

L

P

P

M

M

I

I

P

P

S
|
S

G

G

K

G

A

T

H

F

N

N

E

D

M

V

I

I

active site: Y33 (= Y26), G35 (= G28), G36 (= G29), A37 (= A30), S38 (≠ V31), E59 (= E52), T82 (= T75), F121 (= F114), Q122 (= Q115), E123 (= E116), K171 (= K164), M266 (= M261), V293 (≠ I288), V400 (= V397), G426 (= G423), M428 (= M425), D453 (≠ E450), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), M485 (= M482), V486 (= V483), W489 (= W486), H558 (≠ R548)
binding methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D291 (= D286), R292 (= R287), V486 (= V483), W489 (= W486), S568 (= S558)
binding flavin-adenine dinucleotide: R161 (= R154), G222 (= G213), G223 (= G214), G224 (= G215), T246 (= T241), L247 (= L242), M248 (= M243), L264 (= L259), G265 (= G260), M266 (= M261), H267 (= H262), G286 (= G281), V287 (≠ A282), R288 (= R283), D290 (= D285), V293 (≠ I288), D310 (= D305), I311 (= I306), D329 (= D324), V330 (≠ C325), Q404 (= Q401), M405 (= M402), G423 (= G420), G424 (= G421)
binding magnesium ion: D453 (≠ E450), N480 (= N477), H482 (≠ Y479)

1ybhA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide chlorimuron ethyl (see paper)
47% identity, 96% coverage: 7:566/586 of query aligns to 14:576/582 of 1ybhA

query
sites
1ybhA

G

G

A

A

Q

D

M

I

V

L

V

V

T

E

A

A

L

L

K

E

D

R

Q

Q

G

G

V

V

D

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

V
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

F

T

H

R

Q

S

N

S

S

S

V

I

K

R

H

N

V

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

V

V

H

F

A

A

E

E

G

G

Y

Y

A

A

R

R

S

S

G

G

K

K

I

P

G

G

V

I

V

C

L

I

V

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

A

L

V

V

T

S

G

G

L

L

T

A

D

D

A

A

L

L

D

D

S

S

I

V

P

P

L

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

T

R

H

R

L

M

I

I

G

G

S

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

C

T

D

P

T

I

V

V

G

E

I

V

T

T

R

R

H

S

C

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

Q

D

V

V

E

E

D

D

L

I

P

P

R

R

I

I

L

I

H

E

E

E

A

A

F

F

Y

F

V

L

A

A

Q

T

H

S

G

G

R
|
R

P

P

G

G

P

P

V

V

V

L

I

V

D

D

I

V

P

P

K
|
K

D

D

V

I

Q

Q

F

Q

A

Q

L

L

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A

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I

Y

-

A

-

G

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-

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N

N

I

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H

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K

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K

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P

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F

L

Y

Y

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G

G
|
G

I

C

I

L

N

N

S

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G

S

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D

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A

-

S

-

A

-

L

-

L

L

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|
T

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|
L

M
|
M

G

G

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L

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Y

Y

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M

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|
L

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M

H
|
H

G

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T

Y

V

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Y

A

A

N

N

N

Y

A

A

M

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D

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L

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G
|
G

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x
V

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|
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|
D

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|
R

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V

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|
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L

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H

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L

L

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M

M

I

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|
S

G

G

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G

A

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N

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I

I

active site: Y33 (= Y26), G35 (= G28), G36 (= G29), A37 (= A30), S38 (≠ V31), E59 (= E52), T82 (= T75), F121 (= F114), Q122 (= Q115), E123 (= E116), K171 (= K164), M266 (= M261), V293 (≠ I288), V400 (= V397), G426 (= G423), M428 (= M425), D453 (≠ E450), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), M485 (= M482), V486 (= V483), W489 (= W486), H558 (≠ R548)
binding 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester: M266 (= M261), D291 (= D286), R292 (= R287), M485 (= M482), W489 (= W486), S568 (= S558)
binding flavin-adenine dinucleotide: R161 (= R154), G223 (= G214), G224 (= G215), T246 (= T241), L247 (= L242), M248 (= M243), L264 (= L259), M266 (= M261), H267 (= H262), G286 (= G281), V287 (≠ A282), R288 (= R283), D290 (= D285), V293 (≠ I288), D310 (= D305), I311 (= I306), D329 (= D324), V330 (≠ C325), Q404 (= Q401), M405 (= M402), G423 (= G420), G424 (= G421)
binding magnesium ion: D453 (≠ E450), N480 (= N477), H482 (≠ Y479)

1t9bB Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron (see paper)
48% identity, 97% coverage: 5:573/586 of query aligns to 8:580/595 of 1t9bB

query
sites
1t9bB

M

L

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T

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E

E

active site: Y29 (= Y26), G31 (= G28), G32 (= G29), A33 (= A30), I34 (≠ V31), E55 (= E52), T78 (= T75), F117 (= F114), Q118 (= Q115), E119 (= E116), K167 (= K164), R226 (≠ A225), M262 (= M261), V289 (≠ I288), V405 (= V397), L430 (= L422), G431 (= G423), M433 (= M425), D458 (≠ E450), N485 (= N477), E487 (≠ Y479), Q488 (≠ M480), M490 (= M482), V491 (= V483), W494 (= W486), L516 (= L509), G521 (= G514), L522 (≠ C515), K555 (≠ R548)
binding 1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea: V107 (= V104), P108 (= P105), D287 (= D286), R288 (= R287), M490 (= M482), W494 (= W486)
binding flavin-adenine dinucleotide: R157 (= R154), G215 (= G213), A216 (≠ G214), G217 (= G215), N220 (= N218), T242 (= T241), L243 (= L242), Q244 (≠ M243), M259 (= M258), L260 (= L259), M262 (= M261), H263 (= H262), G282 (= G281), A283 (= A282), R284 (= R283), D286 (= D285), R288 (= R287), V289 (≠ I288), E315 (≠ D305), V316 (≠ I306), N320 (≠ S310), G333 (= G323), D334 (= D324), A335 (≠ C325), Q409 (= Q401), M410 (= M402), G428 (= G420), G429 (= G421)
binding magnesium ion: D458 (≠ E450), N485 (= N477), E487 (≠ Y479)

5k2oA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, pyrithiobac (see paper)
47% identity, 96% coverage: 7:566/586 of query aligns to 14:576/585 of 5k2oA

query
sites
5k2oA

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S
|
S

G

G

K

G

A

T

H

F

N

N

E

D

M

V

I

I

active site: Y33 (= Y26), G35 (= G28), G36 (= G29), A37 (= A30), S38 (≠ V31), E59 (= E52), T82 (= T75), F121 (= F114), Q122 (= Q115), E123 (= E116), K171 (= K164), M266 (= M261), V293 (≠ I288), V400 (= V397), G426 (= G423), M428 (= M425), D453 (≠ E450), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), M485 (= M482), V486 (= V483), W489 (= W486), H558 (≠ R548)
binding 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid: M266 (= M261), R292 (= R287), W489 (= W486), S568 (= S558)
binding flavin-adenine dinucleotide: R161 (= R154), G222 (= G213), G223 (= G214), G224 (= G215), T246 (= T241), L247 (= L242), M248 (= M243), L264 (= L259), G286 (= G281), R288 (= R283), D290 (= D285), V293 (≠ I288), D310 (= D305), I311 (= I306), D329 (= D324), V330 (≠ C325), Q404 (= Q401), M405 (= M402), G423 (= G420)
binding magnesium ion: D453 (≠ E450), N480 (= N477), H482 (≠ Y479)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V397), G401 (= G398), Q402 (= Q399), H403 (= H400), M428 (= M425), D453 (≠ E450), G454 (≠ A451), S455 (= S452), N480 (= N477), H482 (≠ Y479), L483 (≠ M480), G484 (= G481), M485 (= M482), V486 (= V483)

1t9cA Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, sulfometuron methyl (see paper)
48% identity, 97% coverage: 5:573/586 of query aligns to 8:581/596 of 1t9cA

query
sites
1t9cA

M

L

T

T

G

G

A

G

Q

Q

M

I

V

F

V

N

T

E

A

M

L

M

K

S

D

R

Q

Q

G

N

V

V

D

D

T

T

I

V

F

F

G

G

Y
|
Y

P

P

G
|
G

A
|
A

V
x
I

L

L

P

P

I

V

Y

Y

D

D

A

A

L

I

F

H

H

N

Q

S

N

D

S

K

V

F

K

N

H

F

V

V

L

L

V

P

R

K

H

H

E
|
E

Q

Q

G

G

A

A

V

G

H

H

A

M

A

A

E

E

G

G

Y

Y

A

A

R

R

S

A

S

S

G

G

K

K

I

P

G

G

V

V

L

L

V

V

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

A

V

V

V

T

T

G

P

L

M

T

A

D

D

A

A

L

F

L

A

D

D

S

G

I

I

P

P

L

M

V

V

C

V

I

F

T

T

G

G

Q

Q

V
|
V

P
|
P

T

T

H

S

L

A

I

I

G

G

S

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

C

A

D

D

T

V

V

V

G

G

I

I

T

S

R

R

H

S

C

C

T

T

K

K

H

W

N

N

Y

V

L

M

V

V

R

K

Q

S

V

V

E

E

D

E

L

L

P

P

R

L

I

R

L

I

H

N

E

E

A

A

F

F

Y

E

V

I

A

A

Q

T

H

S

G

G

R
|
R

P

P

G

G

P

P

V

V

V

L

I

V

D

D

I

L

P

P

K
|
K

D

D

V

V

Q

T

F

A

A

A

L

-

G

-

L

I

Y

L

A

R

G

N

P

P

E

-

N

-

I

I

E

P

H

T

K

K

T

T

Y

T

K

L

P

P

A

S

F

S

K

R

G

A

D

Q

-

D

-

E

-

F

-

V

L

M

G

Q

R

S

I

I

D

N

E

K

A

A

L

A

S

D

W

L

I

I

A

N

A

L

A

A

K

K

R

K

P

P

I

V

F

L

Y

Y

T

V

G
|
G

G
x
A

G
|
G

I

I

I

L

N
|
N

-

H

-

A

S

D

G

G

P

P

E
x
R

A

-

S

-

A

-

L

L

R

K

E

E

L

L

V

S

D

D

L

R

T

A

G

Q

A

I

P

P

I

V

T

T

S

T

T
|
T

L
|
L

M
x
Q

G

G

L

L

G

G

A

S

Y

F

P

D

A

Q

S

E

S

D

P

P

R

K

W

S

L

L

G

D

M

M

L
|
L

G

G

M
|
M

H
|
H

G

G

T

C

Y

A

E

T

A

A

N

N

N

L

A

A

M

V

H

Q

D

N

C

A

D

D

L

L

M

I

I

I

A

A

I

V

G
|
G

A
|
A

R
|
R

F

F

D
|
D

R
|
R

I
x
V

T

T

G

G

R

N

I

I

D

S

A

K

F

F

S

A

P

P

G

E

S

A

R

R

K

R

-

A

-

E

-

G

-

R

-

G

-

I

I

I

H

H

I

F

D
x
E

I
x
V

D

S

P

P

S

K

S
x
N

I

I

N

N

K

K

T

V

V

V

K

Q

V

T

D

Q

L

I

G

A

I

V

V

E

G
|
G

D
|
D

C
x
A

T

T

A

T

V

N

L

L

R

G

D

K

M

M

V

M

A

S

R

K

W

I

-

F

-

P

-

V

K

K

E

E

R

R

H

-

L

-

A

-

C

-

D

-

A

-

V

-

L

-

Q

S

K

E

W

W

W

F

Q

A

E

Q

I

I

D

N

H

K

W

W

R

K

A

K

R

E

K

Y

S

P

L

Y

A

A

Y

Y

-

M

-

E

R

E

A

T

S

P

N

G

K

S

V

K

I

I

K

K

P

P

Q

Q

Y

T

A

V

I

I

Q

K

R

K

L

L

F

S

E

K

L

V

T

A

R

N

-

D

-

T

G

G

R

R

D

H

T

V

Y

I

I

V

S

T

T

T

E

G

V
|
V

G

G

Q

Q

H

H

Q

Q

M
|
M

W

W

A

A

Q

Q

H

H

Y

W

H

T

F

W

D

R

E

N

P

P

N

H

R

T

W

F

M

I

T

T

S

S

G
|
G

L
|
L

G
|
G

T

T

M
|
M

G

G

Y

Y

G

G

L

L

P

P

A

A

I

I

G

G

A

A

Q

Q

M

V

A

A

H

K

P

P

G

E

S

S

L

L

V

V

V

I

D

D

I

I

A

D

G

G

E
x
D

A

A

S

S

I

F

L

N

M

M

N

T

I

L

Q

T

E

E

L

L

S

S

T

S

A

A

V

V

Q

Q

F

A

R

G

L

T

P

P

V

V

K

K

I

I

F

L

I

I

L

L

N

N

N
|
N

Q

E

Y
x
E

M
x
Q

G

G

M
|
M

V
|
V

R

T

Q

Q

W
|
W

Q

Q

E

S

L

L

L

F

H

Y

G

E

G

H

R

R

Y

Y

S

S

E

H

S

T

Y

H

S

-

E

Q

A

L

L

N

P

P

D

D

F

F

V

I

K

K

L
|
L

A

A

E

E

A

A

Y

M

G
|
G

C
x
L

H

K

G

G

I

L

R

R

C

V

A

K

D

K

P

Q

N

E

T

E

L

L

D

D

A

A

A

K

I

L

L

K

E

E

M

F

I

V

E

S

T

T

P

K

K

G

P

P

V

V

L

L

F

L

D

E

C

V

I

E

V

V

D

D

R
x
K

E

K

E

V

N

P

C

V

L

L

P

P

M

M

I

V

P

A

S

G

G

G

K

S

A

G

H

L

N

D

E

E

M

F

I

I

L

N

P

F

D

D

M

P

E

E

T

V

E

E

active site: Y29 (= Y26), G31 (= G28), G32 (= G29), A33 (= A30), I34 (≠ V31), E55 (= E52), T78 (= T75), F117 (= F114), Q118 (= Q115), E119 (= E116), K167 (= K164), R227 (≠ E222), M263 (= M261), V290 (≠ I288), V406 (= V397), L431 (= L422), G432 (= G423), M434 (= M425), D459 (≠ E450), N486 (= N477), E488 (≠ Y479), Q489 (≠ M480), M491 (= M482), V492 (= V483), W495 (= W486), L517 (= L509), G522 (= G514), L523 (≠ C515), K556 (≠ R548)
binding methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: G32 (= G29), V107 (= V104), P108 (= P105), F117 (= F114), K167 (= K164), D288 (= D286), R289 (= R287), W495 (= W486)
binding flavin-adenine dinucleotide: R157 (= R154), G216 (= G213), A217 (≠ G214), G218 (= G215), N221 (= N218), T243 (= T241), L244 (= L242), Q245 (≠ M243), L261 (= L259), M263 (= M261), H264 (= H262), G283 (= G281), A284 (= A282), R285 (= R283), D287 (= D285), R289 (= R287), V290 (≠ I288), E316 (≠ D305), V317 (≠ I306), N321 (≠ S310), G334 (= G323), D335 (= D324), A336 (≠ C325), M411 (= M402), G429 (= G420), G430 (= G421)
binding magnesium ion: D459 (≠ E450), N486 (= N477), E488 (≠ Y479)

3ea4A Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron-ester (see paper)
47% identity, 96% coverage: 7:566/586 of query aligns to 13:575/582 of 3ea4A

query
sites
3ea4A

G

G

A

A

Q

D

M

I

V

L

V

V

T

E

A

A

L

L

K

E

D

R

Q

Q

G

G

V

V

D

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

V
x
S

L

M

P

E

I

I

Y

H

D

Q

A

A

L

L

F

T

H

R

Q

S

N

S

S

S

V

I

K

R

H

N

V

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

G

G

A

G

V

V

H

F

A

A

E

E

G

G

Y

Y

A

A

R

R

S

S

G

G

K

K

I

P

G

G

V

I

V

C

L

I

V

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

A

L

V

V

T

S

G

G

L

L

T

A

D

D

A

A

L

L

D

D

S

S

I

V

P

P

L

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

P

P

T

R

H

R

L

M

I

I

G

G

S

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

C

T

D

P

T

I

V

V

G

E

I

V

T

T

R

R

H

S

C

I

T

T

K

K

H

H

N

N

Y

Y

L

L

V

V

R

M

Q

D

V

V

E

E

D

D

L

I

P

P

R

R

I

I

L

I

H

E

E

E

A

A

F

F

Y

F

V

L

A

A

Q

T

H

S

G

G

R
|
R

P

P

G

G

P

P

V

V

V

L

I

V

D

D

I

V

P

P

K
|
K

D

D

V

I

Q

Q

F

Q

A

Q

L

L

G

A

L

I

Y

-

A

-

G

-

P

-

E

P

N

N

I

W

E

E

H

Q

K

A

T

M

Y

R

K

L

P

P

A

G

F

Y

K

M

G

S

D

R

L

M

G

P

R

K

-

P

-

E

-

D

-

S

-

H

I

L

D

E

E

Q

A

I

L

V

S

R

W

L

I

I

A

S

A

E

A

S

K

K

R

K

P

P

I

V

F

L

Y

Y

T

V

G
|
G

I

C

I

L

N

N

S

S

G

S

P

D

E

E

A

-

S

-

A

-

L

-

L

L

R

G

E

R

L

F

V

V

D

E

L

L

T

T

G

G

A

I

P

P

I

V

T

A

S

T

T
|
T

L
|
L

M
|
M

G

G

L

L

G

G

A

S

Y

Y

P

P

A

C

S

D

P

E

R

L

W

S

L

L

G

H

M

M

L
|
L

G
|
G

M
|
M

H
|
H

G

G

T

T

Y

V

E

Y

A

A

N

N

N

Y

A

A

M

V

H

E

D

H

C

S

D

D

L

L

M

L

I

L

A

A

I

F

G
|
G

A

V

R
|
R

F

F

D
|
D

R
|
R

I
x
V

T

T

G

G

R

K

I

L

D

E

A

A

F

F

S

A

P

S

G

R

S

A

R

K

K

I

I

V

H

H

I

I

D
|
D

I
|
I

D

D

P

S

S

A

S

E

I

I

N

G

K

K

T

N

V

K

K

T

V

P

D

H

L

V

G

S

I

V

V

C

G
|
G

D
|
D

C
x
V

T

K

A

L

V

A

L

L

R

Q

D

G

M

M

-

N

-

K

V

V

A

L

R

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W

N

K

R

E

A

R

E

H

E

L

L

A

K

C

L

D

D

A

F

A

G

V

V

L

-

Q

-

K

-

W

W

W

R

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N

E

E

I

L

D

N

H

V

W

Q

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A

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K

K

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L

L

A

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Y

F

R

K

A

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N

G

K

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A

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I

K

P

P

P

Q

Q

Y

Y

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A

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Q

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L

L

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L

L

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T

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G

G

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-

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A

Y

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I

I

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T

T

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G

V
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V

G
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G

Q
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Q

H
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H

Q

Q

M
|
M

W

W

A

A

Q

Q

H

F

Y

Y

H

N

F

Y

D

K

E

K

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P

N

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W

M

L

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S

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G

G

G

L

L

G
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G

T

A

M
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M

G

G

Y

F

G

G

L

L

P

P

A

A

I

I

G

G

A

A

Q

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M

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A

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H

N

P

P

G

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S

A

L

I

V

V

D

D

I

I

A

D

G
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G

E
x
D

A
x
G

S
|
S

I

F

L

I

M

M

N

N

I

V

Q

Q

E

E

L

L

S

A

T

T

A

I

V

R

Q

V

F

E

R

N

L

L

P

P

V

V

K

K

I

V

F

L

I

L

L

L

N

N

N
|
N

Q

Q

Y
x
H

M
x
L

G
|
G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

E

D

L

R

L

F

H

Y

G

K

G

A

R

N

Y

R

S

A

E

H

S

T

Y

F

-

L

-

G

-

D

-

P

-

A

-

Q

-

E

S

D

E

E

A

I

L

F

P

P

D

N

F

M

V

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

C

I

H

P

G

A

I

A

R

R

C

V

A

T

D

K

P

K

N

A

T

D

L

L

D

R

A

E

A

A

I

I

L

Q

E

T

M

M

I

L

E

D

T

T

P

P

K

G

P

P

V

Y

L

L

F

L

D

D

C

V

I

I

V

C

D

P

R
x
H

E

Q

E

E

N

H

C

V

L

L

P

P

M

M

I

I

P

P

S
|
S

G

G

K

G

A

T

H

F

N

N

E

D

M

V

I

I

active site: Y32 (= Y26), G34 (= G28), G35 (= G29), A36 (= A30), S37 (≠ V31), E58 (= E52), T81 (= T75), F120 (= F114), Q121 (= Q115), E122 (= E116), K170 (= K164), M265 (= M261), V292 (≠ I288), V399 (= V397), G425 (= G423), M427 (= M425), D452 (≠ E450), N479 (= N477), H481 (≠ Y479), L482 (≠ M480), M484 (= M482), V485 (= V483), W488 (= W486), H557 (≠ R548)
binding methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate: D290 (= D286), R291 (= R287), W488 (= W486), S567 (= S558)
binding flavin-adenine dinucleotide-n5-isobutyl ketone: R160 (= R154), G221 (= G213), G222 (= G214), G223 (= G215), T245 (= T241), L246 (= L242), M247 (= M243), L263 (= L259), G264 (= G260), M265 (= M261), H266 (= H262), G285 (= G281), R287 (= R283), D289 (= D285), R291 (= R287), D309 (= D305), I310 (= I306), G327 (= G323), D328 (= D324), V329 (≠ C325), M404 (= M402), G422 (= G420)
binding magnesium ion: D452 (≠ E450), N479 (= N477), H481 (≠ Y479)
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 (= V397), G400 (= G398), Q401 (= Q399), H402 (= H400), M427 (= M425), G451 (= G449), D452 (≠ E450), G453 (≠ A451), S454 (= S452), N479 (= N477), H481 (≠ Y479), L482 (≠ M480), G483 (= G481), M484 (= M482), V485 (= V483)

3e9yA Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron (see paper)
47% identity, 96% coverage: 7:566/586 of query aligns to 13:575/582 of 3e9yA

query
sites
3e9yA

G

G

A

A

Q

D

M

I

V

L

V

V

T

E

A

A

L

L

K

E

D

R

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Q

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G

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T

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F

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Y

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A
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A

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x
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M

P

E

I

I

Y

H

D

Q

A

A

L

L

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T

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S

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S

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I

K

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N

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E
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E

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Q

G

G

A

G

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V

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F

A

A

E

E

G

G

Y

Y

A

A

R

R

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S

G

G

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K

I

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G

G

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I

V

C

L

I

V

A

T
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T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

A

L

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V

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S

G

G

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L

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A

D

D

A

A

L

L

D

D

S

S

I

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P

L

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V

C

A

I

I

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T

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G

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Q

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R

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I

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F

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E

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I

V

V

G

E

I

V

T

T

R

R

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S

C

I

T

T

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K

H

H

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Y

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L

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E

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D

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I

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I

I

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E

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E

A

A

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R

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I

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K

D

D

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Q

F

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L

L

G

A

L

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Y

-

A

-

G

-

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-

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N

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E

E

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P

A

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G

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-

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-

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-

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A

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L

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I

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S

A

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A

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K

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K

P

P

I

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G

I

C

I

L

N

N

S

S

G

S

P

D

E

E

A

-

S

-

A

-

L

-

L

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E

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M

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L

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M

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x
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I

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x
V

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A

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-

N

-

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A

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H

E

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D

A

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A

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-

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E

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x
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Q

E

E

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A

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F

E

R

N

L

L

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V

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K

I

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F

L

I

L

L

L

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x
H

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x
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N

Y

R

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A

E

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S

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Y

F

-

L

-

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-

D

-

P

-

A

-

Q

-

E

S

D

E

E

A

I

L

F

P

P

D

N

F

M

V

L

K

L

L

F

A

A

E

A

A

A

Y

C

G

G

C

I

H

P

G

A

I

A

R

R

C

V

A

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D

K

P

K

N

A

T

D

L

L

D

R

A

E

A

A

I

I

L

Q

E

T

M

M

I

L

E

D

T

T

P

P

K

G

P

P

V

Y

L

L

F

L

D

D

C

V

I

I

V

C

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P

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x
H

E

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E

E

N

H

C

V

L

L

P

P

M

M

I

I

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S
|
S

G

G

K

G

A

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F

N

N

E

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M

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I

I

active site: Y32 (= Y26), G34 (= G28), G35 (= G29), A36 (= A30), S37 (≠ V31), E58 (= E52), T81 (= T75), F120 (= F114), Q121 (= Q115), E122 (= E116), K170 (= K164), M265 (= M261), V292 (≠ I288), V399 (= V397), G425 (= G423), M427 (= M425), D452 (≠ E450), N479 (= N477), H481 (≠ Y479), L482 (≠ M480), M484 (= M482), V485 (= V483), W488 (= W486), H557 (≠ R548)
binding N-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide: D290 (= D286), R291 (= R287), W488 (= W486), S567 (= S558)
binding flavin-adenine dinucleotide-n5-isobutyl ketone: R160 (= R154), G221 (= G213), G222 (= G214), G223 (= G215), T245 (= T241), L246 (= L242), M247 (= M243), L263 (= L259), G285 (= G281), R287 (= R283), D289 (= D285), R291 (= R287), D309 (= D305), I310 (= I306), G327 (= G323), D328 (= D324), V329 (≠ C325), M404 (= M402), G422 (= G420)
binding magnesium ion: D452 (≠ E450), N479 (= N477), H481 (≠ Y479)
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 (= V397), G400 (= G398), Q401 (= Q399), H402 (= H400), M427 (= M425), G451 (= G449), G453 (≠ A451), S454 (= S452), N479 (= N477), H481 (≠ Y479), L482 (≠ M480), G483 (= G481), M484 (= M482), V485 (= V483)

6derA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide metosulam (see paper)
46% identity, 97% coverage: 5:573/586 of query aligns to 14:585/600 of 6derA

query
sites
6derA

M

L

T

T

G

G

A

G

Q

E

M

I

V

F

V

H

T

E

A

M

L

M

K

L

D

R

Q

H

G

K

V

V

D

D

T

T

I

V

F

F

G

G

Y
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Y

P

A

G
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G

A
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A

V
x
I

L

L

P

P

I

V

Y

F

D

D

A

A

L

I

F

Y

H

N

Q

S

N

D

S

K

V

F

K

K

H

F

V

V

L

L

V

P

R

R

H

H

E
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E

Q

Q

G

G

A

A

V

G

H

H

A

M

A

A

E

E

G

G

Y

Y

A

A

R

R

S

A

S

S

G

G

K

K

I

P

G

G

V

V

L

L

V

V

T
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T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

A

V

V

I

T

T

G

P

L

M

T

A

D

D

A

A

L

L

L

M

D

D

S

G

I

V

P

P

L

L

V

V

C

V

I

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S

G

G

Q

Q

V

V

P

P

T

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T

L

A

I

I

G

G

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D

D

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F

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E

C

A

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I

V

V

G

G

I

I

T

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R

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S

C

C

T

T

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K

H

W

N

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Y

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N

V

V

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A

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E

L

L

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R

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N

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E

A

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R

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K

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A

A

S

L

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N

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A

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A

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W

I

I

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A

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A

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A

A

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I

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I

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Y

T

A

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G

G
x
A

G
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G

I

I

I

L

N
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N

S

N

-

E

-

Q

G

G

P

P

E
x
K

A

-

S

-

A

-

L

L

R

K

E

E

L

L

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A

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D

L

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N

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G

G

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A

E

A

A

A

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N

T

A

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H

H

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E

L

L

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A

A

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Q

F

A

R

G

L

A

P

P

V

I

K

K

I

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F

C

I

V

L

L

N

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x
E

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x
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G

E

G

H

R

R

Y

Y

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S

E

H

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Y

H

S

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L

N

P

P

D

D

F

F

V

M

K

K

L
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L

A

A

E

E

A

S

Y

M

G
x
N

C
x
V

H

K

G

G

I

I

R

R

C

I

A

T

D

N

P

Q

N

Q

T

E

L

L

D

K

A

S

A

G

I

V

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K

E

E

M

F

I

L

E

D

T

A

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T

K

E

P

P

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V

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L

F

L

D

E

C

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I

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K

E

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L

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G

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D

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I

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W

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E

active site: Y35 (= Y26), G37 (= G28), G38 (= G29), A39 (= A30), I40 (≠ V31), E61 (= E52), T84 (= T75), F123 (= F114), Q124 (= Q115), E125 (= E116), K173 (= K164), K231 (≠ E222), M267 (= M261), V294 (≠ I288), V410 (= V397), L435 (= L422), G436 (= G423), M438 (= M425), D463 (≠ E450), N490 (= N477), E492 (≠ Y479), Q493 (≠ M480), M495 (= M482), V496 (= V483), W499 (= W486), L521 (= L509), N526 (≠ G514), V527 (≠ C515)
binding flavin-adenine dinucleotide: R163 (= R154), G220 (= G213), A221 (≠ G214), G222 (= G215), N225 (= N218), T247 (= T241), L248 (= L242), Q249 (≠ M243), L265 (= L259), H268 (= H262), G287 (= G281), A288 (= A282), R289 (= R283), D291 (= D285), R293 (= R287), V294 (≠ I288), E320 (≠ D305), I321 (= I306), N325 (≠ S310), G338 (= G323), D339 (= D324), V340 (≠ C325), Q414 (= Q401), M415 (= M402), G433 (= G420)
binding Metosulam: R293 (= R287), M495 (= M482), W499 (= W486), A570 (≠ S558)
binding magnesium ion: D463 (≠ E450), N490 (= N477), E492 (≠ Y479)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V410 (= V397), G411 (= G398), Q412 (= Q399), H413 (= H400), G436 (= G423), M438 (= M425), G462 (= G449), D463 (≠ E450), A464 (= A451), S465 (= S452), N490 (= N477), E492 (≠ Y479), Q493 (≠ M480), G494 (= G481), M495 (= M482), V496 (= V483)
binding 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogendiphosphate: V410 (= V397), G411 (= G398), Q412 (= Q399), H413 (= H400), G436 (= G423), M438 (= M425), G462 (= G449), D463 (≠ E450), A464 (= A451), S465 (= S452), M468 (= M455), N490 (= N477), E492 (≠ Y479), Q493 (≠ M480), G494 (= G481), V496 (= V483)

Query Sequence

>WP_012385382.1 NCBI__GCF_000019845.1:WP_012385382.1
MSEKMTGAQMVVTALKDQGVDTIFGYPGGAVLPIYDALFHQNSVKHVLVRHEQGAVHAAE
GYARSSGKIGVVLVTSGPGATNAVTGLTDALLDSIPLVCITGQVPTHLIGSDAFQECDTV
GITRHCTKHNYLVRQVEDLPRILHEAFYVAQHGRPGPVVIDIPKDVQFALGLYAGPENIE
HKTYKPAFKGDLGRIDEALSWIAAAKRPIFYTGGGIINSGPEASALLRELVDLTGAPITS
TLMGLGAYPASSPRWLGMLGMHGTYEANNAMHDCDLMIAIGARFDDRITGRIDAFSPGSR
KIHIDIDPSSINKTVKVDLGIVGDCTAVLRDMVARWKERHLACDAAVLQKWWQEIDHWRA
RKSLAYRASNKVIKPQYAIQRLFELTRGRDTYISTEVGQHQMWAAQHYHFDEPNRWMTSG
GLGTMGYGLPAAIGAQMAHPGSLVVDIAGEASILMNIQELSTAVQFRLPVKIFILNNQYM
GMVRQWQELLHGGRYSESYSEALPDFVKLAEAYGCHGIRCADPNTLDAAILEMIETPKPV
LFDCIVDREENCLPMIPSGKAHNEMILPDMETELGTAIDAAGKILV

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