SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012536327.1 NCBI__GCF_000021485.1:WP_012536327.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

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)
46% identity, 96% coverage: 22:579/581 of query aligns to 99:661/670 of P17597

query
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P17597

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A122 (= A45) mutation to V: Reduced catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.
M124 (≠ L47) 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 (= E67) binding thiamine diphosphate
S186 (= S109) binding FAD
P197 (= P120) mutation to S: In csr1-1/GH50; resistant to sulfonylurea but not to imidazolinone herbicides.
R199 (≠ A122) mutation R->A,E: No effect on catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.
Q207 (= Q130) binding thiamine diphosphate
K220 (= K143) binding (R)-imazaquin
R246 (= R169) binding (R)-imazaquin; binding FAD
K256 (= K179) binding chlorimuron-ethyl
G308 (= G229) binding FAD
TL 331:332 (= TL 254:255) binding FAD
C340 (≠ A263) modified: Cysteine sulfinic acid (-SO2H)
LGMH 349:352 (= LGMH 272:275) binding FAD
GVRFD 371:375 (≠ GARFD 294:298) binding FAD
DR 376:377 (= DR 299:300) binding chlorimuron-ethyl
DI 395:396 (≠ DV 318:319) binding FAD
DV 414:415 (≠ DL 337:338) binding FAD
QH 487:488 (= QH 411:412) binding thiamine diphosphate
GG 508:509 (= GG 432:433) binding FAD
GAM 511:513 (≠ GTM 435:437) binding thiamine diphosphate
D538 (= D462) binding Mg(2+)
DGS 538:540 (= DGS 462:464) binding thiamine diphosphate
N565 (= N489) binding Mg(2+)
NQHLGM 565:570 (≠ NHYLGM 489:494) binding thiamine diphosphate
H567 (≠ Y491) binding Mg(2+)
W574 (= W498) 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 (≠ A571) 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)
46% identity, 96% coverage: 22:579/581 of query aligns to 14:576/582 of 8et4A

query
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8et4A

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binding 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate: V400 (= V409), G401 (= G410), Q402 (= Q411), H403 (= H412), G426 (= G435), M428 (= M437), G452 (= G461), D453 (= D462), G454 (= G463), S455 (= S464), M458 (= M467), N480 (= N489), H482 (≠ Y491), L483 (= L492), G484 (= G493), M485 (= M494), V486 (= V495)
binding flavin-adenine dinucleotide: R161 (= R169), G222 (= G228), G223 (= G229), G224 (= G230), T246 (= T254), L247 (= L255), M248 (= M256), L264 (= L272), M266 (= M274), H267 (= H275), G286 (= G294), V287 (≠ A295), R288 (= R296), D290 (= D298), R292 (= R300), V293 (= V301), D310 (= D318), I311 (≠ V319), D329 (= D337), V330 (≠ L338), M405 (= M414), G423 (= G432)
binding magnesium ion: F370 (≠ Y379), D453 (= D462), M458 (= M467), Q461 (= Q470), N480 (= N489), H482 (≠ Y491), K533 (≠ P535)
binding N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide: M266 (= M274), R292 (= R300), M485 (= M494), W489 (= W498), S568 (≠ A571)

5wj1A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam (see paper)
46% identity, 96% coverage: 22:579/581 of query aligns to 14:576/582 of 5wj1A

query
sites
5wj1A

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active site: Y33 (= Y41), G35 (= G43), G36 (= G44), A37 (= A45), S38 (≠ V46), E59 (= E67), T82 (= T90), F121 (= F129), Q122 (= Q130), E123 (= E131), K171 (= K179), M266 (= M274), V293 (= V301), V400 (= V409), G426 (= G435), M428 (= M437), D453 (= D462), N480 (= N489), H482 (≠ Y491), L483 (= L492), M485 (= M494), V486 (= V495), W489 (= W498), H558 (≠ P561)
binding flavin-adenine dinucleotide: R161 (= R169), G222 (= G228), G223 (= G229), G224 (= G230), T246 (= T254), L247 (= L255), M248 (= M256), M263 (= M271), L264 (= L272), G286 (= G294), R288 (= R296), V293 (= V301), D310 (= D318), I311 (≠ V319), D329 (= D337), V330 (≠ L338), M405 (= M414), G423 (= G432), G424 (= G433)
binding magnesium ion: D453 (= D462), N480 (= N489), H482 (≠ Y491)
binding 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide: M266 (= M274), D291 (= D299), R292 (= R300), M485 (= M494), W489 (= W498), S568 (≠ A571)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V409), G401 (= G410), Q402 (= Q411), H403 (= H412), M428 (= M437), D453 (= D462), G454 (= G463), S455 (= S464), M458 (= M467), N480 (= N489), H482 (≠ Y491), L483 (= L492), G484 (= G493), M485 (= M494), V486 (= V495)

5k6tA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, propoxycarbazone-sodium (see paper)
46% identity, 96% coverage: 22:579/581 of query aligns to 14:576/582 of 5k6tA

query
sites
5k6tA

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N

E

D

M

V

I

I

active site: Y33 (= Y41), G35 (= G43), G36 (= G44), A37 (= A45), S38 (≠ V46), E59 (= E67), T82 (= T90), F121 (= F129), Q122 (= Q130), E123 (= E131), K171 (= K179), M266 (= M274), V293 (= V301), V400 (= V409), G426 (= G435), M428 (= M437), D453 (= D462), N480 (= N489), H482 (≠ Y491), L483 (= L492), M485 (= M494), V486 (= V495), W489 (= W498), H558 (≠ P561)
binding methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate: H267 (= H275), R292 (= R300), M485 (= M494), W489 (= W498), S568 (≠ A571)
binding flavin-adenine dinucleotide: R161 (= R169), G222 (= G228), G223 (= G229), G224 (= G230), T246 (= T254), L247 (= L255), M248 (= M256), L264 (= L272), G286 (= G294), R288 (= R296), D290 (= D298), R292 (= R300), V293 (= V301), D310 (= D318), I311 (≠ V319), D329 (= D337), V330 (≠ L338), Q404 (= Q413), M405 (= M414), G423 (= G432)
binding magnesium ion: D453 (= D462), N480 (= N489), H482 (≠ Y491)
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 (= V409), G401 (= G410), Q402 (= Q411), H403 (= H412), G426 (= G435), M428 (= M437), G452 (= G461), G454 (= G463), S455 (= S464), N480 (= N489), H482 (≠ Y491), L483 (= L492), G484 (= G493)

5k6rA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, thiencarbazone-methyl (see paper)
46% identity, 96% coverage: 22:579/581 of query aligns to 14:576/582 of 5k6rA

query
sites
5k6rA

G

G

A

A

E

D

I

I

V

L

V

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E

A

A

L

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x
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R

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N
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N

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x
H

L
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L

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M
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M

V
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Q

Q

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W

Q

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E

D

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F

F

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Y

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K

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A

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N

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M

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G

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-

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D

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L

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G

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V

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A

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T

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D

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L

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P

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A

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Q

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A

M

L

L

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D

L

T

K

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D

G

R

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M

Y

V

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M

L

D

D

F

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I

V

C

D

P

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x
H

T

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N

H

V

V

Y

L

P

P

M

M

V

I

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P

A
x
S

G

G

A

G

A

T

L

F

S

N

E

D

M

V

I

I

active site: Y33 (= Y41), G35 (= G43), G36 (= G44), A37 (= A45), S38 (≠ V46), E59 (= E67), T82 (= T90), F121 (= F129), Q122 (= Q130), E123 (= E131), K171 (= K179), M266 (= M274), V293 (= V301), V400 (= V409), G426 (= G435), M428 (= M437), D453 (= D462), N480 (= N489), H482 (≠ Y491), L483 (= L492), M485 (= M494), V486 (= V495), W489 (= W498), H558 (≠ P561)
binding methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate: R292 (= R300), W489 (= W498), S568 (≠ A571)
binding flavin-adenine dinucleotide: R161 (= R169), G222 (= G228), G223 (= G229), G224 (= G230), T246 (= T254), L247 (= L255), M248 (= M256), L264 (= L272), M266 (= M274), G286 (= G294), R288 (= R296), R292 (= R300), V293 (= V301), D310 (= D318), I311 (≠ V319), G328 (= G336), D329 (= D337), V330 (≠ L338), M405 (= M414), G423 (= G432)
binding magnesium ion: D453 (= D462), N480 (= N489), H482 (≠ Y491)
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 (= V409), G401 (= G410), Q402 (= Q411), H403 (= H412), G426 (= G435), M428 (= M437), D453 (= D462), G454 (= G463), S455 (= S464), M458 (= M467), N480 (= N489), H482 (≠ Y491), L483 (= L492), G484 (= G493), M485 (= M494), V486 (= V495)

1z8nA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with an imidazolinone herbicide, imazaquin (see paper)
46% identity, 96% coverage: 22:579/581 of query aligns to 14:576/582 of 1z8nA

query
sites
1z8nA

G

G

A

A

E

D

I

I

V

L

V

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A

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Y

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A
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Y

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G

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K

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G

G

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V

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L

I

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T

S

S

G

G

P

P

G

G

A

A

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N

N

A

L

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V

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G

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D

F

V

Q

I

V

C

D

P

P
x
H

T

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

A

S

G
|
G

A

G

A

T

L

F

S

N

E

D

M

V

I

I

active site: Y33 (= Y41), G35 (= G43), G36 (= G44), A37 (= A45), S38 (≠ V46), E59 (= E67), T82 (= T90), F121 (= F129), Q122 (= Q130), E123 (= E131), K171 (= K179), M266 (= M274), V293 (= V301), V400 (= V409), G426 (= G435), M428 (= M437), D453 (= D462), N480 (= N489), H482 (≠ Y491), L483 (= L492), M485 (= M494), V486 (= V495), W489 (= W498), H558 (≠ P561)
binding 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)quinoline-3-carboxylic acid: K135 (= K143), R161 (= R169), Y191 (= Y199), R194 (vs. gap), D291 (= D299), R292 (= R300), D312 (= D320), W489 (= W498), G569 (= G572)
binding flavin-adenine dinucleotide: R161 (= R169), G222 (= G228), G224 (= G230), T246 (= T254), L247 (= L255), M248 (= M256), L264 (= L272), G265 (= G273), M266 (= M274), H267 (= H275), G286 (= G294), V287 (≠ A295), R288 (= R296), D290 (= D298), R292 (= R300), V293 (= V301), D310 (= D318), I311 (≠ V319), D329 (= D337), V330 (≠ L338), M405 (= M414), G423 (= G432), G424 (= G433)
binding magnesium ion: D453 (= D462), N480 (= N489)
binding thiamine diphosphate: V400 (= V409), G401 (= G410), Q402 (= Q411), H403 (= H412), G426 (= G435), M428 (= M437), G452 (= G461), G454 (= G463), S455 (= S464), N480 (= N489), H482 (≠ Y491), L483 (= L492), G484 (= G493), M485 (= M494), V486 (= V495)

1yi1A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl (see paper)
46% identity, 96% coverage: 22:579/581 of query aligns to 14:576/582 of 1yi1A

query
sites
1yi1A

G

G

A

A

E

D

I

I

V

L

V

V

R

E

A

A

L

L

R

E

D

R

E

Q

G

G

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G
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A
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x
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Y

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Q

K

A

L

L

A

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Q

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H

N

I

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R

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E
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E

Q

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A

G

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H

F

A

A

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E

A

G

Y

Y

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A

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G

G

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K

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G

G

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I

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C

L

I

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A

T
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T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

A

L

V

V

T

S

G

G

I

L

A

A

T

D

A

A

Y

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L

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L

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V

V

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I

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G

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A

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I

I

G

G

N

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F

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Q

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E

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P

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I

V

V

G

E

I

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T

T

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R

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K

K

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D

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R

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K

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G

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L

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H

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Y

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A

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D

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I

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N
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H

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|
L

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G

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M

V
|
V

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M

Q

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W
|
W

Q

E

E

D

F

R

F

F

Y

Y

E

K

N

A

R

N

Y

R

A

A

M

H

S

T

Y

F

V

L

-

G

-

D

-

P

-

A

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-

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-

D

D

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A

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L

F

P

P

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N

F

M

V

L

K

L

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F

A

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A

Y

C

G

G

H

I

V

P

G

A

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R

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A

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H

T

T

K

P

K

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L

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R

P

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A

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I

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Q

E

T

A

M

L

L

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D

L

T

K

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D

G

R

P

M

Y

V

L

F

-

M

L

D

D

F

V

Q

I

V

C

D

P

P
x
H

T

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

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A
x
S

G

G

A

G

A

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L

F

S

N

E

D

M

V

I

I

active site: Y33 (= Y41), G35 (= G43), G36 (= G44), A37 (= A45), S38 (≠ V46), E59 (= E67), T82 (= T90), F121 (= F129), Q122 (= Q130), E123 (= E131), K171 (= K179), M266 (= M274), V293 (= V301), V400 (= V409), G426 (= G435), M428 (= M437), D453 (= D462), N480 (= N489), H482 (≠ Y491), L483 (= L492), M485 (= M494), V486 (= V495), W489 (= W498), H558 (≠ P561)
binding methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate: D291 (= D299), R292 (= R300), W489 (= W498), S568 (≠ A571)
binding flavin-adenine dinucleotide: R161 (= R169), G223 (= G229), G224 (= G230), T246 (= T254), L247 (= L255), M248 (= M256), M263 (= M271), L264 (= L272), G265 (= G273), M266 (= M274), H267 (= H275), G286 (= G294), V287 (≠ A295), R288 (= R296), D290 (= D298), V293 (= V301), D310 (= D318), I311 (≠ V319), D329 (= D337), V330 (≠ L338), M405 (= M414), G423 (= G432), G424 (= G433)
binding magnesium ion: D453 (= D462), N480 (= N489), H482 (≠ Y491)

1yi0A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, sulfometuron methyl (see paper)
46% identity, 96% coverage: 22:579/581 of query aligns to 14:576/582 of 1yi0A

query
sites
1yi0A

G

G

A

A

E

D

I

I

V

L

V

V

R

E

A

A

L

L

R

E

D

R

E

Q

G

G

V

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E

Y

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F

F

G

A

Y
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Y

P

P

G
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G

A
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A

V
x
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Y

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I

Y

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Q

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A

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A

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H

N

I

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E
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E

Q

Q

A

G

V

V

H

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A

A

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A

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Y

Y

S

A

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S

G

G

K

K

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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

I

L

A

A

T

D

A

A

Y

L

M

L

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D

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S

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V

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I

I

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G

G

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Q

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L

M

I

I

G

G

N

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D

D

A

A

F
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F

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Q

E
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E

V

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D

P

T

I

V

V

G

E

I

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T

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R

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C

I

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K

K

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H

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N

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D

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|
R

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K

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G

G

A

G

A

T

L

F

S

N

E

D

M

V

I

I

active site: Y33 (= Y41), G35 (= G43), G36 (= G44), A37 (= A45), S38 (≠ V46), E59 (= E67), T82 (= T90), F121 (= F129), Q122 (= Q130), E123 (= E131), K171 (= K179), M266 (= M274), V293 (= V301), V400 (= V409), G426 (= G435), M428 (= M437), D453 (= D462), N480 (= N489), H482 (≠ Y491), L483 (= L492), M485 (= M494), V486 (= V495), W489 (= W498), H558 (≠ P561)
binding methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D291 (= D299), R292 (= R300), W489 (= W498), S568 (≠ A571)
binding flavin-adenine dinucleotide: R161 (= R169), G222 (= G228), G223 (= G229), G224 (= G230), T246 (= T254), L247 (= L255), M248 (= M256), L264 (= L272), G265 (= G273), M266 (= M274), H267 (= H275), G286 (= G294), V287 (≠ A295), R288 (= R296), D290 (= D298), R292 (= R300), V293 (= V301), D310 (= D318), I311 (≠ V319), G328 (= G336), D329 (= D337), V330 (≠ L338), M405 (= M414), G423 (= G432), G424 (= G433)
binding magnesium ion: D453 (= D462), N480 (= N489), H482 (≠ Y491)

1yhzA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron (see paper)
46% identity, 96% coverage: 22:579/581 of query aligns to 14:576/582 of 1yhzA

query
sites
1yhzA

G

G

A

A

E

D

I

I

V

L

V

V

R

E

A

A

L

L

R

E

D

R

E

Q

G

G

V

V

E

E

Y

T

V

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

V
x
S

L

M

Y

E

I

I

Y

H

D

Q

K

A

L

L

A

T

Q

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S

D

S

A

S

V

I

K

R

H

N

I

V

L

L

V

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R

R

H

H

E
|
E

Q

Q

A

G

V

V

H

F

A

A

D

E

A

G

Y

Y

S

A

R

R

V

S

T

S

G

G

K

K

V

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

I

L

A

A

T

D

A

A

Y

L

M

L

D

D

S

S

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V

P

P

L

L

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V

V

A

I

I

T

T

G

G

Q

Q

V

V

P

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V

R

A

R

L

M

I

I

G

G

N

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

V

T

D

P

T

I

V

V

G

E

I

V

T

T

R

R

P

S

C

I

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T

K

K

H

H

N

N

F

Y

L

L

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V

K

M

D

D

V

V

R

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D

D

L

I

A

P

S

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T

I

L

I

K

E

T

E

A

A

F

F

Y

F

L

L

A

A

A

T

T

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

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|
K

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D

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I

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Q

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A

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L

Y

Y

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G

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|
G

I

C

I

L

L

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G

-

N

N

A

S

S

S

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D

A

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L

L

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G

K

R

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V

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L

L

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G

G

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P

P

I

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A

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|
T

L
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L

M
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M

G

G

L

L

G

G

A

S

Y

Y

P

P

A

C

S

D

D

D

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E

Q

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F

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

M

Y

A

A

V

V

Q

E

H

H

C

S

D

D

V

L

L

L

V

L

A

A

L

F

G
|
G

A
x
V

R
|
R

F

F

D
|
D

R
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R

V
|
V

T

T

G

G

N

K

L

L

A

E

K

A

F

F

A

A

P

S

H

R

A

A

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K

I

I

V

V

H

H

V

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D
|
D

V
x
I

D

D

P

S

S

A

S

E

I

I

S

G

K

K

N

N

V

K

R

T

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D

H

V

V

P

S

V

V

V

C

G

G

D
|
D

L
x
V

Q

K

Q

L

V

A

L

L

L

Q

E

G

M

M

N

N

H

K

M

V

L

L

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-

E

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N

N

D

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Q

A

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N

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L

P

K

Q

L

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M

F

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W

W

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N

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W

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L

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Y

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N

K

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A

I

I

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P

P

Q

Q

F

Y

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A

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I

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K

K

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L

L

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D

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E

L

L

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T

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G

G

N

K

A

A

I

I

T

S

S

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D

G

V
|
V

G

G

Q

Q

H

H

Q
|
Q

M
|
M

W

W

A

A

Q

Q

F

F

Y

Y

G

N

F

Y

D

K

R

K

P

P

R

R

R

Q

W

W

V

L

N

S

S

S

G
|
G

L

L

G
|
G

T

A

M
|
M

G

G

F

F

G

G

L

L

P

P

A

A

M

I

G

G

A

A

Q

S

V

V

A

A

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N

P

P

D

D

S

A

T

I

V

V

C

D

I

I

T

D

G

G

D
|
D

G

G

S

S

I

F

Q

I

M

M

N

N

I

V

Q

Q

E

E

L

L

S

A

T

T

C

I

L

R

Q

V

Y

E

R

N

L

L

P

P

V

V

K

K

V

V

A

L

C

L

L

L

N

N

N
|
N

H

Q

Y
x
H

L
|
L

G

G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

E

D

F

R

F

F

Y

Y

E

K

N

A

R

N

Y

R

A

A

M

H

S

T

Y

F

V

L

-

G

-

D

-

P

-

A

-

Q

-

E

-

D

D

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

H

I

V

P

G

A

L

A

R

R

A

V

H

T

T

K

P

K

A

A

D

D

V

L

E

R

P

E

V

A

I

I

R

Q

E

T

A

M

L

L

R

D

L

T

K

P

D

G

R

P

M

Y

V

L

F

-

M

L

D

D

F

V

Q

I

V

C

D

P

P
x
H

T

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

A
x
S

G

G

A

G

A

T

L

F

S

N

E

D

M

V

I

I

active site: Y33 (= Y41), G35 (= G43), G36 (= G44), A37 (= A45), S38 (≠ V46), E59 (= E67), T82 (= T90), F121 (= F129), Q122 (= Q130), E123 (= E131), K171 (= K179), M266 (= M274), V293 (= V301), V400 (= V409), G426 (= G435), M428 (= M437), D453 (= D462), N480 (= N489), H482 (≠ Y491), L483 (= L492), M485 (= M494), V486 (= V495), W489 (= W498), H558 (≠ P561)
binding 1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea: D291 (= D299), R292 (= R300), M485 (= M494), W489 (= W498), S568 (≠ A571)
binding flavin-adenine dinucleotide: R161 (= R169), G223 (= G229), G224 (= G230), T246 (= T254), L247 (= L255), M248 (= M256), L264 (= L272), M266 (= M274), H267 (= H275), G286 (= G294), V287 (≠ A295), R288 (= R296), D290 (= D298), V293 (= V301), D310 (= D318), I311 (≠ V319), D329 (= D337), V330 (≠ L338), Q404 (= Q413), M405 (= M414), G423 (= G432), G424 (= G433)
binding magnesium ion: D453 (= D462), N480 (= N489), H482 (≠ Y491)

1yhyA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, metsulfuron methyl (see paper)
46% identity, 96% coverage: 22:579/581 of query aligns to 14:576/582 of 1yhyA

query
sites
1yhyA

G

G

A

A

E

D

I

I

V

L

V

V

R

E

A

A

L

L

R

E

D

R

E

Q

G

G

V

V

E

E

Y

T

V

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

V
x
S

L

M

Y

E

I

I

Y

H

D

Q

K

A

L

L

A

T

Q

R

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S

D

S

A

S

V

I

K

R

H

N

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

A

G

V

V

H

F

A

A

D

E

A

G

Y

Y

S

A

R

R

V

S

T

S

G

G

K

K

V

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

I

L

A

A

T

D

A

A

Y

L

M

L

D

D

S

S

V

V

P

P

L

L

V

V

V

A

I

I

T

T

G

G

Q

Q

V

V

P

P

V

R

A

R

L

M

I

I

G

G

N

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

V

T

D

P

T

I

V

V

G

E

I

V

T

T

R

R

P

S

C

I

T

T

K

K

H

H

N

N

F

Y

L

L

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V

K

M

D

D

V

V

R

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D

D

L

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A

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L

I

K

E

T

E

A

A

F

F

Y

F

L

L

A

A

A

T

T

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

T

Q

S

Q

H

Q

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A

A

A

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-

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P

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F

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Y

Y

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G
|
G

I

C

I

L

L

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G

-

N

N

A

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S

S

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D

A

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L

L

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G

K

R

L

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V

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L

L

T

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G

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P

I

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A

H

S

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|
T

L
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L

M
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M

G

G

L

L

G

G

A

S

Y

Y

P

P

A

C

S

D

D

D

R

E

Q

L

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S

L

L

G

H

M

M

L
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L

G
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G

M
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M

H
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H

G

G

T

T

Y

V

E

Y

A

A

N

N

M

Y

A

A

V

V

Q

E

H

H

C

S

D

D

V

L

L

L

V

L

A

A

L

F

G
|
G

A
x
V

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

G

G

N

K

L

L

A

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K

A

F

F

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A

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S

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A

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|
D

V
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I

D

D

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A

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I

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K

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N

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N

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V

G

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M
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M

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Q

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F

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K

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K

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P

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W

W

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G

L

L

G
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G

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M
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M

G

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F

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L

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F

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I

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M

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N

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V

Q

Q

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L

L

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I

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L

L

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K

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V

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L

L

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|
N

H

Q

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x
H

L
|
L

G

G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

E

D

F

R

F

F

Y

Y

E

K

N

A

R

N

Y

R

A

A

M

H

S

T

Y

F

V

L

-

G

-

D

-

P

-

A

-

Q

-

E

-

D

D

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

H

I

V

P

G

A

L

A

R

R

A

V

H

T

T

K

P

K

A

A

D

D

V

L

E

R

P

E

V

A

I

I

R

Q

E

T

A

M

L

L

R

D

L

T

K

P

D

G

R

P

M

Y

V

L

F

-

M

L

D

D

F

V

Q

I

V

C

D

P

P
x
H

T

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

A
x
S

G

G

A

G

A

T

L

F

S

N

E

D

M

V

I

I

active site: Y33 (= Y41), G35 (= G43), G36 (= G44), A37 (= A45), S38 (≠ V46), E59 (= E67), T82 (= T90), F121 (= F129), Q122 (= Q130), E123 (= E131), K171 (= K179), M266 (= M274), V293 (= V301), V400 (= V409), G426 (= G435), M428 (= M437), D453 (= D462), N480 (= N489), H482 (≠ Y491), L483 (= L492), M485 (= M494), V486 (= V495), W489 (= W498), H558 (≠ P561)
binding methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D291 (= D299), R292 (= R300), V486 (= V495), W489 (= W498), S568 (≠ A571)
binding flavin-adenine dinucleotide: R161 (= R169), G222 (= G228), G223 (= G229), G224 (= G230), T246 (= T254), L247 (= L255), M248 (= M256), L264 (= L272), G265 (= G273), M266 (= M274), H267 (= H275), G286 (= G294), V287 (≠ A295), R288 (= R296), D290 (= D298), V293 (= V301), D310 (= D318), I311 (≠ V319), D329 (= D337), V330 (≠ L338), Q404 (= Q413), M405 (= M414), G423 (= G432), G424 (= G433)
binding magnesium ion: D453 (= D462), N480 (= N489), H482 (≠ Y491)

1ybhA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide chlorimuron ethyl (see paper)
46% identity, 96% coverage: 22:579/581 of query aligns to 14:576/582 of 1ybhA

query
sites
1ybhA

G

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-

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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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C

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I

active site: Y33 (= Y41), G35 (= G43), G36 (= G44), A37 (= A45), S38 (≠ V46), E59 (= E67), T82 (= T90), F121 (= F129), Q122 (= Q130), E123 (= E131), K171 (= K179), M266 (= M274), V293 (= V301), V400 (= V409), G426 (= G435), M428 (= M437), D453 (= D462), N480 (= N489), H482 (≠ Y491), L483 (= L492), M485 (= M494), V486 (= V495), W489 (= W498), H558 (≠ P561)
binding 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester: M266 (= M274), D291 (= D299), R292 (= R300), M485 (= M494), W489 (= W498), S568 (≠ A571)
binding flavin-adenine dinucleotide: R161 (= R169), G223 (= G229), G224 (= G230), T246 (= T254), L247 (= L255), M248 (= M256), L264 (= L272), M266 (= M274), H267 (= H275), G286 (= G294), V287 (≠ A295), R288 (= R296), D290 (= D298), V293 (= V301), D310 (= D318), I311 (≠ V319), D329 (= D337), V330 (≠ L338), Q404 (= Q413), M405 (= M414), G423 (= G432), G424 (= G433)
binding magnesium ion: D453 (= D462), N480 (= N489), H482 (≠ Y491)

5k2oA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, pyrithiobac (see paper)
46% identity, 96% coverage: 22:579/581 of query aligns to 14:576/585 of 5k2oA

query
sites
5k2oA

G

G

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I

active site: Y33 (= Y41), G35 (= G43), G36 (= G44), A37 (= A45), S38 (≠ V46), E59 (= E67), T82 (= T90), F121 (= F129), Q122 (= Q130), E123 (= E131), K171 (= K179), M266 (= M274), V293 (= V301), V400 (= V409), G426 (= G435), M428 (= M437), D453 (= D462), N480 (= N489), H482 (≠ Y491), L483 (= L492), M485 (= M494), V486 (= V495), W489 (= W498), H558 (≠ P561)
binding 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid: M266 (= M274), R292 (= R300), W489 (= W498), S568 (≠ A571)
binding flavin-adenine dinucleotide: R161 (= R169), G222 (= G228), G223 (= G229), G224 (= G230), T246 (= T254), L247 (= L255), M248 (= M256), L264 (= L272), G286 (= G294), R288 (= R296), D290 (= D298), V293 (= V301), D310 (= D318), I311 (≠ V319), D329 (= D337), V330 (≠ L338), Q404 (= Q413), M405 (= M414), G423 (= G432)
binding magnesium ion: D453 (= D462), N480 (= N489), H482 (≠ Y491)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V409), G401 (= G410), Q402 (= Q411), H403 (= H412), M428 (= M437), D453 (= D462), G454 (= G463), S455 (= S464), N480 (= N489), H482 (≠ Y491), L483 (= L492), G484 (= G493), M485 (= M494), V486 (= V495)

5k3sA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, bispyribac-sodium (see paper)
46% identity, 96% coverage: 22:579/581 of query aligns to 14:576/583 of 5k3sA

query
sites
5k3sA

G

G

A

A

E

D

I

I

V

L

V

V

R

E

A

A

L

L

R

E

D

R

E

Q

G

G

V

V

E

E

Y

T

V

V

F

F

G

A

Y
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Y

P

P

G
|
G

A
|
A

V
x
S

L

M

Y

E

I

I

Y

H

D

Q

K

A

L

L

A

T

Q

R

E

S

D

S

A

S

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I

K

R

H

N

I

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L

L

V

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R

R

H

H

E
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E

Q

Q

A

G

V

V

H

F

A

A

D

E

A

G

Y

Y

S

A

R

R

V

S

T

S

G

G

K

K

V

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

I

L

A

A

T

D

A

A

Y

L

M

L

D

D

S

S

V

V

P

P

L

L

V

V

V

A

I

I

T

T

G

G

Q

Q

V

V

P

P

V

R

A

R

L

M

I

I

G

G

N

T

D

D

A

A

F
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F

Q
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Q

E
|
E

V

T

D

P

T

I

V

V

G

E

I

V

T

T

R

R

P

S

C

I

T

T

K

K

H

H

N

N

F

Y

L

L

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V

K

M

D

D

V

V

R

E

D

D

L

I

A

P

S

R

T

I

L

I

K

E

T

E

A

A

F

F

Y

F

L

L

A

A

A

T

T

S

G

G

R
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R

P

P

G

G

P

P

V

V

L

L

V

V

D

D

I

V

P

P

K
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K

D

D

I

I

T

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S

Q

H

Q

K

L

A

A

A

I

Y

P

H

N

Y

W

P

E

E

Q

K

A

I

M

T

R

L

L

R

P

S

G

Y

Y

-

M

-

S

-

R

-

M

-

P

K

K

P

P

T

P

V

E

K

D

G

S

H

H

S

L

G

E

Q

Q

V

I

R

-

K

-

A

-

M

V

Q

R

I

L

I

I

T

S

G

E

A

S

Q

K

R

K

P

P

M

V

F

L

Y

Y

T

V

G
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G

I

C

I

L

L

-

G

-

N

N

A

S

S

S

E

D

A

E

L

L

R

G

K

R

L

F

V

V

R

E

T

L

L

T

G

G

V

I

P

P

I

V

T

A

H

S

T
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T

L
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L

M
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M

G

G

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L

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G

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Y

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L

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M

M

L
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L

G

G

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M

H

H

G

G

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T

Y

V

E

Y

A

A

N

N

M

Y

A

A

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Q

E

H

H

C

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D

D

V

L

L

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A

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G

A

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R

F

F

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D

D

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R
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R

V
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V

T

T

G

G

N

K

L

L

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E

K

A

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F

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A

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R

A

A

R

K

I

I

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I

D
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D

V
x
I

D

D

P

S

S

A

S

E

I

I

S

G

K

K

N

N

V

K

R

T

V

P

D

H

V

V

P

S

V

V

V

C

G

G

D
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D

L
x
V

Q

K

Q

L

V

A

L

L

L

Q

E

G

M

M

N

N

H

K

M

V

L

L

E

-

E

E

N

N

D

R

Q

A

R

E

N

E

D

L

P

K

Q

L

A

D

M

F

Q

G

T

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W

W

W

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A

N

Q

E

I

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E

N

E

V

W

Q

R

K

G

Q

R

K

D

F

C

P

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L

H

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Y

F

N

K

Q

T

D

F

D

G

R

E

V

A

I

I

K

P

P

P

Q

Q

F

Y

V

A

V

I

Q

K

K

V

L

L

F

D

E

E

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T

E

D

G

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N

K

A

A

I

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V

G
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G

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Q

H
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H

Q

Q

M
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M

W

W

A

A

Q

Q

F

F

Y

Y

G

N

F

Y

D

K

R

K

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R

R

Q

W

W

V

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S

S

S

G
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G

G

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L

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G

T

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M
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M

G

G

F

F

G

G

L

L

P

P

A

A

M

I

G

G

A

A

Q

S

V

V

A

A

E

N

P

P

D

D

S

A

T

I

V

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C

D

I

I

T

D

G

G

D
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D

G
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G

S
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S

I

F

Q

I

M

M

N

N

I

V

Q

Q

E

E

L

L

S

A

T

T

C

I

L

R

Q

V

Y

E

R

N

L

L

P

P

V

V

K

K

V

V

A

L

C

L

L

L

N

N

N
|
N

H

Q

Y
x
H

L
|
L

G
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G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

E

D

F

R

F

F

Y

Y

E

K

N

A

R

N

Y

R

A

A

M

H

S

T

Y

F

V

L

-

G

-

D

-

P

-

A

-

Q

-

E

-

D

D

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

H

I

V

P

G

A

L

A

R

R

A

V

H

T

T

K

P

K

A

A

D

D

V

L

E

R

P

E

V

A

I

I

R

Q

E

T

A

M

L

L

R

D

L

T

K

P

D

G

R

P

M

Y

V

L

F

-

M

L

D

D

F

V

Q

I

V

C

D

P

P
x
H

T

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

A

S

G
|
G

A

G

A

T

L

F

S

N

E

D

M

V

I

I

active site: Y33 (= Y41), G35 (= G43), G36 (= G44), A37 (= A45), S38 (≠ V46), E59 (= E67), T82 (= T90), F121 (= F129), Q122 (= Q130), E123 (= E131), K171 (= K179), M266 (= M274), V293 (= V301), V400 (= V409), G426 (= G435), M428 (= M437), D453 (= D462), N480 (= N489), H482 (≠ Y491), L483 (= L492), M485 (= M494), V486 (= V495), W489 (= W498), H558 (≠ P561)
binding 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid: R292 (= R300), M485 (= M494), W489 (= W498), G569 (= G572)
binding flavin-adenine dinucleotide: R161 (= R169), G222 (= G228), G223 (= G229), G224 (= G230), T246 (= T254), L247 (= L255), M248 (= M256), L264 (= L272), M266 (= M274), G286 (= G294), R288 (= R296), D290 (= D298), V293 (= V301), D310 (= D318), I311 (≠ V319), D329 (= D337), V330 (≠ L338), M405 (= M414), G423 (= G432)
binding magnesium ion: D453 (= D462), N480 (= N489), H482 (≠ Y491)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V409), G401 (= G410), Q402 (= Q411), H403 (= H412), G426 (= G435), M428 (= M437), D453 (= D462), G454 (= G463), S455 (= S464), N480 (= N489), H482 (≠ Y491), L483 (= L492), G484 (= G493), M485 (= M494), V486 (= V495)

3ea4A Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron-ester (see paper)
46% identity, 96% coverage: 22:579/581 of query aligns to 13:575/582 of 3ea4A

query
sites
3ea4A

G

G

A

A

E

D

I

I

V

L

V

V

R

E

A

A

L

L

R

E

D

R

E

Q

G

G

V

V

E

E

Y

T

V

V

F

F

G

A

Y
|
Y

P

P

G
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G

A
|
A

V
x
S

L

M

Y

E

I

I

Y

H

D

Q

K

A

L

L

A

T

Q

R

E

S

D

S

A

S

V

I

K

R

H

N

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

A

G

V

V

H

F

A

A

D

E

A

G

Y

Y

S

A

R

R

V

S

T

S

G

G

K

K

V

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

I

L

A

A

T

D

A

A

Y

L

M

L

D

D

S

S

V

V

P

P

L

L

V

V

V

A

I

I

T

T

G

G

Q

Q

V

V

P

P

V

R

A

R

L

M

I

I

G

G

N

T

D

D

A

A

F
|
F

Q
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Q

E
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E

V

T

D

P

T

I

V

V

G

E

I

V

T

T

R

R

P

S

C

I

T

T

K

K

H

H

N

N

F

Y

L

L

V

V

K

M

D

D

V

V

R

E

D

D

L

I

A

P

S

R

T

I

L

I

K

E

T

E

A

A

F

F

Y

F

L

L

A

A

A

T

T

S

G

G

R
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R

P

P

G

G

P

P

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V

L

L

V

V

D

D

I

V

P

P

K
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K

D

D

I

I

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Q

S

Q

H

Q

K

L

A

A

A

I

Y

P

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N

Y

W

P

E

E

Q

K

A

I

M

T

R

L

L

R

P

S

G

Y

Y

-

M

-

S

-

R

-

M

-

P

K

K

P

P

T

P

V

E

K

D

G

S

H

H

S

L

G

E

Q

Q

V

I

R

-

K

-

A

-

M

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I

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S

G

E

A

S

Q

K

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K

P

P

M

V

F

L

Y

Y

T

V

G
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G

I

C

I

L

L

-

G

-

N

N

A

S

S

S

E

D

A

E

L

L

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G

K

R

L

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V

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E

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L

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P

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T

T
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T

L
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L

M
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M

G

G

L

L

G

G

A

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Y

Y

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P

A

C

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D

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L

L

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M

M

L
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L

G
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G

M
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M

H
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H

G

G

T

T

Y

V

E

Y

A

A

N

N

M

Y

A

A

V

V

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E

H

H

C

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D

V

L

L

L

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A

A

L

F

G
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G

A

V

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R

F

F

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D

R
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R

V
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V

T

T

G

G

N

K

L

L

A

E

K

A

F

F

A

A

P

S

H

R

A

A

R

K

I

I

V

V

H

H

V

I

D
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D

V
x
I

D

D

P

S

S

A

S

E

I

I

S

G

K

K

N

N

V

K

R

T

V

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D

H

V

V

P

S

V

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V

C

G
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G

D
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D

L
x
V

Q

K

Q

L

V

A

L

L

L

Q

E

G

M

M

N

N

H

K

M

V

L

L

E

-

E

E

N

N

D

R

Q

A

R

E

N

E

D

L

P

K

Q

L

A

D

M

F

Q

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T

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W

W

W

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A

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I

L

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N

E

V

W

Q

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K

G

Q

R

K

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F

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L

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D

F

D

G

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Q

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Y

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A

V

I

Q

K

K

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L

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D

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E

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V

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H

Q

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M

W

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A

A

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F

F

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Y

G

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F

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G

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M

G

G

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F

G

G

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L

P

P

A

A

M

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G

G

A

A

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A

A

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N

P

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D

G
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G

D
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D

G
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G

S
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S

I

F

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I

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M

N

N

I

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Q

Q

E

E

L

L

S

A

T

T

C

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V

Y

E

R

N

L

L

P

P

V

V

K

K

V

V

A

L

C

L

L

L

N

N

N
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N

H

Q

Y
x
H

L
|
L

G
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G

M
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M

V
|
V

R

M

Q

Q

W
|
W

Q

E

E

D

F

R

F

F

Y

Y

E

K

N

A

R

N

Y

R

A

A

M

H

S

T

Y

F

V

L

-

G

-

D

-

P

-

A

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Q

-

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-

D

D

E

A

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L

F

P

P

D

N

F

M

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K

L

L

F

A

A

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A

A

A

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C

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G

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I

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G

A

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A

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A

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A

A

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D

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M

L

L

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D

L

T

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P

D

G

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M

Y

V

L

F

-

M

L

D

D

F

V

Q

I

V

C

D

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P
x
H

T

Q

E

E

N

H

V

V

Y

L

P

P

M

M

V

I

P

P

A
x
S

G

G

A

G

A

T

L

F

S

N

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active site: Y32 (= Y41), G34 (= G43), G35 (= G44), A36 (= A45), S37 (≠ V46), E58 (= E67), T81 (= T90), F120 (= F129), Q121 (= Q130), E122 (= E131), K170 (= K179), M265 (= M274), V292 (= V301), V399 (= V409), G425 (= G435), M427 (= M437), D452 (= D462), N479 (= N489), H481 (≠ Y491), L482 (= L492), M484 (= M494), V485 (= V495), W488 (= W498), H557 (≠ P561)
binding methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate: D290 (= D299), R291 (= R300), W488 (= W498), S567 (≠ A571)
binding flavin-adenine dinucleotide-n5-isobutyl ketone: R160 (= R169), G221 (= G228), G222 (= G229), G223 (= G230), T245 (= T254), L246 (= L255), M247 (= M256), L263 (= L272), G264 (= G273), M265 (= M274), H266 (= H275), G285 (= G294), R287 (= R296), D289 (= D298), R291 (= R300), D309 (= D318), I310 (≠ V319), G327 (= G336), D328 (= D337), V329 (≠ L338), M404 (= M414), G422 (= G432)
binding magnesium ion: D452 (= D462), N479 (= N489), H481 (≠ Y491)
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 (= V409), G400 (= G410), Q401 (= Q411), H402 (= H412), M427 (= M437), G451 (= G461), D452 (= D462), G453 (= G463), S454 (= S464), N479 (= N489), H481 (≠ Y491), L482 (= L492), G483 (= G493), M484 (= M494), V485 (= V495)

3e9yA Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron (see paper)
46% identity, 96% coverage: 22:579/581 of query aligns to 13:575/582 of 3e9yA

query
sites
3e9yA

G

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active site: Y32 (= Y41), G34 (= G43), G35 (= G44), A36 (= A45), S37 (≠ V46), E58 (= E67), T81 (= T90), F120 (= F129), Q121 (= Q130), E122 (= E131), K170 (= K179), M265 (= M274), V292 (= V301), V399 (= V409), G425 (= G435), M427 (= M437), D452 (= D462), N479 (= N489), H481 (≠ Y491), L482 (= L492), M484 (= M494), V485 (= V495), W488 (= W498), H557 (≠ P561)
binding N-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide: D290 (= D299), R291 (= R300), W488 (= W498), S567 (≠ A571)
binding flavin-adenine dinucleotide-n5-isobutyl ketone: R160 (= R169), G221 (= G228), G222 (= G229), G223 (= G230), T245 (= T254), L246 (= L255), M247 (= M256), L263 (= L272), G285 (= G294), R287 (= R296), D289 (= D298), R291 (= R300), D309 (= D318), I310 (≠ V319), G327 (= G336), D328 (= D337), V329 (≠ L338), M404 (= M414), G422 (= G432)
binding magnesium ion: D452 (= D462), N479 (= N489), H481 (≠ Y491)
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 (= V409), G400 (= G410), Q401 (= Q411), H402 (= H412), M427 (= M437), G451 (= G461), G453 (= G463), S454 (= S464), N479 (= N489), H481 (≠ Y491), L482 (= L492), G483 (= G493), M484 (= M494), V485 (= V495)

7tzzA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase p197t mutant in complex with bispyribac-sodium (see paper)
45% identity, 96% coverage: 22:579/581 of query aligns to 14:576/582 of 7tzzA

query
sites
7tzzA

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P

P

M

M

V

I

P

P

A
x
S

G

G

A

G

A

T

L

F

S

N

E

D

M

V

I

I

binding 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid: M266 (= M274), R292 (= R300), W489 (= W498), S568 (≠ A571)
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 (= V409), G401 (= G410), Q402 (= Q411), H403 (= H412), G426 (= G435), M428 (= M437), G452 (= G461), D453 (= D462), G454 (= G463), S455 (= S464), L483 (= L492), G484 (= G493), M485 (= M494), V486 (= V495)
binding flavin-adenine dinucleotide: R161 (= R169), G222 (= G228), G223 (= G229), G224 (= G230), T246 (= T254), L247 (= L255), M248 (= M256), M263 (= M271), L264 (= L272), M266 (= M274), H267 (= H275), G286 (= G294), R288 (= R296), V293 (= V301), D310 (= D318), I311 (≠ V319), D329 (= D337), V330 (≠ L338), M405 (= M414), G423 (= G432)
binding magnesium ion: A37 (= A45), T82 (= T90), S83 (= S91), Q122 (= Q130), Y381 (≠ F390), D453 (= D462), M458 (= M467), Q461 (= Q470), N480 (= N489), H482 (≠ Y491), K533 (≠ P535)

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)
44% identity, 97% coverage: 18:579/581 of query aligns to 92:658/667 of P09342

query
sites
P09342

E

E

E

P

L

R

T

K

G

G

A

S

E

D

I

V

V

L

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A

A

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L

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D

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G

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G

G

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x
C

L

I

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A

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S

G

G

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P

G

G

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A

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N

N

A

L

V

V

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G

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A

A

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A

A

Y

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L

D

D

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S

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P

L

I

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V

V

A

I

I

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G

G

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Q

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|
P

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C161 (≠ V87) modified: Disulfide link with 307
P194 (= P120) mutation to Q: In C3; highly resistant to sulfonylurea herbicides.
C307 (≠ I231) modified: Disulfide link with 161

P09114 Acetolactate synthase 2, chloroplastic; ALS II; Acetohydroxy-acid synthase II; Acetolactate synthase II; EC 2.2.1.6 from Nicotiana tabacum (Common tobacco) (see paper)
44% identity, 97% coverage: 18:579/581 of query aligns to 89:655/664 of P09114

query
sites
P09114

E

E

E

P

L

R

T

K

G

G

A

S

E

D

I

V

V

L

V

V

R

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A

A

L

L

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D

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G

G

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V

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N

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L

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A

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G

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G

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V

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L

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G

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P

G

G

A

A

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N

A

L

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V

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G

G

I

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A

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A

A

Y

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L

D

D

S

S

V

V

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P

L

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I

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G

G

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Q

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V

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|
P

V

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A

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M

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G

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D

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K

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|
W

Q

E

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Y

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A

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P191 (= P120) mutation to A: In S4-Hra; highly resistant to sulfonylurea herbicides; when associated with L-568.
W568 (= W498) mutation to L: In S4-Hra; highly resistant to sulfonylurea herbicides; when associated with A-191.

6demA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide bensulfuron methyl (see paper)
44% identity, 97% coverage: 20:580/581 of query aligns to 12:576/597 of 6demA

query
sites
6demA

L

L

T

T

G

G

A

G

E

E

I

I

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F

V

H

R

E

A

M

L

M

R

L

D

R

E

H

G

K

V

V

E

D

Y

T

V

V

F

F

G

G

Y
|
Y

P

A

G
|
G

A
|
A

V
x
I

L

L

Y

P

I

V

Y

F

D

D

K

A

L

I

A

Y

Q

N

E

S

D

D

A

K

V

F

K

K

H

F

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

A

G

A

A

V

G

H

H

A

M

A

A

D

E

A

G

Y

Y

S

A

R

R

V

A

T

S

G

G

K

K

V

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

I

T

T

G

P

I

M

A

A

T

D

A

A

Y

L

M

M

D

D

S

G

V

V

P

P

L

L

V

V

I

F

T

S

G

G

Q

Q

V

V

P

P

V

T

A

T

L

A

I

I

G

G

N

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

V

A

D

D

T

I

V

V

G

G

I

I

T

S

R

R

P

S

C

C

T

T

K

K

H

W

N

N

F

V

L

M

V

V

K

K

D

N

V

V

R

A

D

E

L

L

A

P

S

R

T

R

L

I

K

N

T

E

A

A

F

F

Y

E

L

I

A

A

A

T

T

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

T

T

S

-

H

-

K

-

A

-

A

A

Y

S

H

I

Y

L

P

R

E

E

K

S

I

I

T

P

L

I

R

N

S

T

Y

T

K

L

P

P

T

S

V

V

K

S

G

E

H

F

S

T

G

S

Q

E

-

A

V

I

R

K

K

R

A

A

M

A

Q

N

I

I

I

L

T

N

G

K

A

A

Q

K

R

K

P

P

M

I

F

I

Y

Y

T

A

G
|
G

G
x
A

G
|
G

I

I

I

L

L
x
N

G

N

N

E

-

Q

A

G

S

P

E
x
K

A

L

L

L

R

K

K

E

L

L

V

A

R

D

T

K

L

A

G

N

V

I

P

P

I

V

T

T

H

T

T
|
T

L
|
L

M
x
Q

G

G

L

L

G

G

A

A

Y

F

P

D

A

Q

S

R

D

D

R

P

Q

K

F

S

L

L

G

D

M

M

L
|
L

G

G

M
|
M

H

H

G

G

T

S

Y

A

E

A

A

A

N

N

M

T

A

A

V

I

Q

Q

H

N

C

A

D

D

V

C

L

I

V

I

A

A

L

L

G
|
G

A
|
A

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

G

G

N

N

L

I

A

S

K

K

F

F

A

A

P

P

H

E

A

A

R

K

-

L

-

A

-

S

-

E

-

G

-

R

-

G

I

I

V

L

H

H

V

F

D
x
E

V
x
I

D

S

P

P

S

K

S
x
N

I

I

S

N

K

K

N

V

V

V

R

E

V

A

D

T

V

E

P

A

V

I

V

E

G

G

D
|
D

L
x
V

Q

T

Q

A

V

N

L

L

L

Q

E

S

M

F

N

I

H

P

M

L

L

V

E

D

E

S

N

I

D

E

Q

N

R

R

N

P

D

E

P

-

Q

-

A

-

M

-

Q

-

T

-

W

W

W

F

A

N

Q

K

I

I

E

N

E

E

W

W

R

K

G

K

R

K

D

Y

C

P

L

Y

H

S

Y

Y

N

Q

Q

L

D

E

D

T

-

P

-

G

R

S

V

L

I

I

K

K

P

P

Q

Q

F

T

V

L

V

I

Q

K

K

E

L

I

F

S

E

D

L

Q

T

A

E

Q

-

T

-

Y

-

N

G

K

N

E

A

V

I

I

I

V

T

T

S

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

W

W

A

A

Q

Q

F

H

Y

F

G

T

F

W

D

T

R

Q

P

P

R

R

R

T

W

M

V

I

N

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

M

I

G

G

A

A

Q

Q

V

V

A

A

E

K

P

P

D

D

S

A

T

I

V

V

V

I

C

D

I

I

T

D

G
|
G

D
|
D

G
x
A

S
|
S

I

F

Q

N

M
|
M

N

T

I

L

Q

T

E

E

L

L

S

S

T

S

C

A

L

V

Q

Q

Y

A

R

G

L

A

P

P

V

I

K

K

V

V

A

C

C

V

L

L

N

N

N
|
N

H

E

Y
x
E

L
x
Q

G
|
G

M
|
M

V
|
V

R

T

Q

Q

W
|
W

Q

Q

E

S

F

L

F

F

Y

Y

E

E

N

H

R

R

Y

Y

A

S

M

H

S

T

Y

H

V

-

D

Q

A

S

L

N

P

P

D

D

F

F

V

M

K

K

L
|
L

A

A

E

E

A

S

Y

M

G
x
N

H
x
V

V

K

G

G

L

I

R

R

A

I

H

T

T

N

P

Q

A

Q

D

E

V

L

E

K

P

S

V

G

I

V

R

K

E

E

A

F

L

L

R

D

L

A

K

T

D

E

R

P

M

-

V

V

F

L

M

L

D

E

F

V

Q

I

V

V

D

E

P

K

T

K

E

V

N

P

V

V

Y

L

P

P

M

M

V

V

P

P

A
|
A

G

G

A

K

A

A

L

L

S

D

E

D

M

F

I

I

L

L

active site: Y33 (= Y41), G35 (= G43), G36 (= G44), A37 (= A45), I38 (≠ V46), E59 (= E67), T82 (= T90), F121 (= F129), Q122 (= Q130), E123 (= E131), K171 (= K179), K228 (≠ E238), M264 (= M274), V291 (= V301), V407 (= V409), L432 (= L434), G433 (= G435), M435 (= M437), D460 (= D462), N487 (= N489), E489 (≠ Y491), Q490 (≠ L492), M492 (= M494), V493 (= V495), W496 (= W498), L518 (= L521), N523 (≠ G526), V524 (≠ H527)
binding methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate: M264 (= M274), D289 (= D299), R290 (= R300), M492 (= M494), W496 (= W498), A567 (= A571)
binding flavin-adenine dinucleotide: R161 (= R169), G217 (= G228), A218 (≠ G229), G219 (= G230), N222 (≠ L233), T244 (= T254), L245 (= L255), Q246 (≠ M256), L262 (= L272), G284 (= G294), A285 (= A295), R286 (= R296), D288 (= D298), R290 (= R300), V291 (= V301), E317 (≠ D318), I318 (≠ V319), N322 (≠ S323), D336 (= D337), V337 (≠ L338), M412 (= M414), G430 (= G432)
binding magnesium ion: D460 (= D462), N487 (= N489), E489 (≠ Y491)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V407 (= V409), G408 (= G410), Q409 (= Q411), H410 (= H412), M435 (= M437), G459 (= G461), D460 (= D462), A461 (≠ G463), S462 (= S464), M465 (= M467), N487 (= N489), E489 (≠ Y491), Q490 (≠ L492), G491 (= G493), M492 (= M494), V493 (= V495)

6delA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide chlorimuron ethyl (see paper)
44% identity, 97% coverage: 20:580/581 of query aligns to 12:576/597 of 6delA

query
sites
6delA

L

L

T

T

G

G

A

G

E

E

I

I

V

F

V

H

R

E

A

M

L

M

R

L

D

R

E

H

G

K

V

V

E

D

Y

T

V

V

F

F

G

G

Y
|
Y

P

A

G
|
G

A
|
A

V
x
I

L

L

Y

P

I

V

Y

F

D

D

K

A

L

I

A

Y

Q

N

E

S

D

D

A

K

V

F

K

K

H

F

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

A

G

A

A

V

G

H

H

A

M

A

A

D

E

A

G

Y

Y

S

A

R

R

V

A

T

S

G

G

K

K

V

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

I

T

T

G

P

I

M

A

A

T

D

A

A

Y

L

M

M

D

D

S

G

V

V

P

P

L

L

V

V

I

F

T

S

G

G

Q

Q

V

V

P

P

V

T

A

T

L

A

I

I

G

G

N

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

V

A

D

D

T

I

V

V

G

G

I

I

T

S

R

R

P

S

C

C

T

T

K

K

H

W

N

N

F

V

L

M

V

V

K

K

D

N

V

V

R

A

D

E

L

L

A

P

S

R

T

R

L

I

K

N

T

E

A

A

F

F

Y

E

L

I

A

A

A

T

T

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

T

T

S

-

H

-

K

-

A

-

A

A

Y

S

H

I

Y

L

P

R

E

E

K

S

I

I

T

P

L

I

R

N

S

T

Y

T

K

L

P

P

T

S

V

V

K

S

G

E

H

F

S

T

G

S

Q

E

-

A

V

I

R

K

K

R

A

A

M

A

Q

N

I

I

I

L

T

N

G

K

A

A

Q

K

R

K

P

P

M

I

F

I

Y

Y

T

A

G
|
G

G
x
A

G
|
G

I

I

I

L

L
x
N

G

N

N

E

-

Q

A

G

S

P

E
x
K

A

L

L

L

R

K

K

E

L

L

V

A

R

D

T

K

L

A

G

N

V

I

P

P

I

V

T

T

H

T

T
|
T

L
|
L

M
x
Q

G

G

L

L

G

G

A

A

Y

F

P

D

A

Q

S

R

D

D

R

P

Q

K

F

S

L

L

G

D

M

M

L
|
L

G

G

M
|
M

H

H

G

G

T

S

Y

A

E

A

A

A

N

N

M

T

A

A

V

I

Q

Q

H

N

C

A

D

D

V

C

L

I

V

I

A

A

L

L

G
|
G

A
|
A

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

G

G

N

N

L

I

A

S

K

K

F

F

A

A

P

P

H

E

A

A

R

K

-

L

-

A

-

S

-

E

-

G

-

R

-

G

I

I

V

L

H

H

V

F

D
x
E

V
x
I

D

S

P

P

S

K

S
x
N

I

I

S

N

K

K

N

V

V

V

R

E

V

A

D

T

V

E

P

A

V

I

V

E

G

G

D
|
D

L
x
V

Q

T

Q

A

V

N

L

L

L

Q

E

S

M

F

N

I

H

P

M

L

L

V

E

D

E

S

N

I

D

E

Q

N

R

R

N

P

D

E

P

-

Q

-

A

-

M

-

Q

-

T

-

W

W

W

F

A

N

Q

K

I

I

E

N

E

E

W

W

R

K

G

K

R

K

D

Y

C

P

L

Y

H

S

Y

Y

N

Q

Q

L

D

E

D

T

-

P

-

G

R

S

V

L

I

I

K

K

P

P

Q

Q

F

T

V

L

V

I

Q

K

K

E

L

I

F

S

E

D

L

Q

T

A

E

Q

-

T

-

Y

-

N

G

K

N

E

A

V

I

I

I

V

T

T

S

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

W

W

A

A

Q

Q

F

H

Y

F

G

T

F

W

D

T

R

Q

P

P

R

R

R

T

W

M

V

I

N

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

M

I

G

G

A

A

Q

Q

V

V

A

A

E

K

P

P

D

D

S

A

T

I

V

V

V

I

C

D

I

I

T

D

G
|
G

D
|
D

G
x
A

S
|
S

I

F

Q

N

M
|
M

N

T

I

L

Q

T

E

E

L

L

S

S

T

S

C

A

L

V

Q

Q

Y

A

R

G

L

A

P

P

V

I

K

K

V

V

A

C

C

V

L

L

N

N

N
|
N

H

E

Y
x
E

L
x
Q

G
|
G

M
|
M

V
|
V

R

T

Q

Q

W
|
W

Q

Q

E

S

F

L

F

F

Y

Y

E

E

N

H

R

R

Y

Y

A

S

M

H

S

T

Y

H

V

-

D

Q

A

S

L

N

P

P

D

D

F

F

V

M

K

K

L
|
L

A

A

E

E

A

S

Y

M

G
x
N

H
x
V

V

K

G

G

L

I

R

R

A

I

H

T

T

N

P

Q

A

Q

D

E

V

L

E

K

P

S

V

G

I

V

R

K

E

E

A

F

L

L

R

D

L

A

K

T

D

E

R

P

M

-

V

V

F

L

M

L

D

E

F

V

Q

I

V

V

D

E

P

K

T

K

E

V

N

P

V

V

Y

L

P

P

M

M

V

V

P

P

A

A

G

G

A

K

A

A

L

L

S

D

E

D

M

F

I

I

L

L

active site: Y33 (= Y41), G35 (= G43), G36 (= G44), A37 (= A45), I38 (≠ V46), E59 (= E67), T82 (= T90), F121 (= F129), Q122 (= Q130), E123 (= E131), K171 (= K179), K228 (≠ E238), M264 (= M274), V291 (= V301), V407 (= V409), L432 (= L434), G433 (= G435), M435 (= M437), D460 (= D462), N487 (= N489), E489 (≠ Y491), Q490 (≠ L492), M492 (= M494), V493 (= V495), W496 (= W498), L518 (= L521), N523 (≠ G526), V524 (≠ H527)
binding 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester: D289 (= D299), R290 (= R300), W496 (= W498)
binding flavin-adenine dinucleotide: R161 (= R169), G217 (= G228), A218 (≠ G229), G219 (= G230), N222 (≠ L233), T244 (= T254), L245 (= L255), Q246 (≠ M256), L262 (= L272), G284 (= G294), A285 (= A295), R286 (= R296), D288 (= D298), R290 (= R300), V291 (= V301), E317 (≠ D318), I318 (≠ V319), N322 (≠ S323), D336 (= D337), V337 (≠ L338), M412 (= M414), G430 (= G432)
binding (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate: V407 (= V409), G408 (= G410), Q409 (= Q411), H410 (= H412), G433 (= G435), M435 (= M437), G459 (= G461), D460 (= D462), A461 (≠ G463), S462 (= S464), M465 (= M467), N487 (= N489), E489 (≠ Y491), Q490 (≠ L492), G491 (= G493), M492 (= M494), V493 (= V495)
binding magnesium ion: D460 (= D462), N487 (= N489), E489 (≠ Y491)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V407 (= V409), G408 (= G410), Q409 (= Q411), H410 (= H412), G433 (= G435), M435 (= M437), G459 (= G461), D460 (= D462), A461 (≠ G463), S462 (= S464), M465 (= M467), N487 (= N489), E489 (≠ Y491), Q490 (≠ L492), G491 (= G493), M492 (= M494), V493 (= V495)

Query Sequence

>WP_012536327.1 NCBI__GCF_000021485.1:WP_012536327.1
MTSPTTTQDRPVPGQQTEELTGAEIVVRALRDEGVEYVFGYPGGAVLYIYDKLAQEDAVK
HILVRHEQAAVHAADAYSRVTGKVGVVLVTSGPGATNAVTGIATAYMDSVPLVVITGQVP
VALIGNDAFQEVDTVGITRPCTKHNFLVKDVRDLASTLKTAFYLAATGRPGPVLVDIPKD
ITSHKAAYHYPEKITLRSYKPTVKGHSGQVRKAMQIITGAQRPMFYTGGGIILGNASEAL
RKLVRTLGVPITHTLMGLGAYPASDRQFLGMLGMHGTYEANMAVQHCDVLVALGARFDDR
VTGNLAKFAPHARIVHVDVDPSSISKNVRVDVPVVGDLQQVLLEMNHMLEENDQRNDPQA
MQTWWAQIEEWRGRDCLHYNQDDRVIKPQFVVQKLFELTEGNAIITSDVGQHQMWAAQFY
GFDRPRRWVNSGGLGTMGFGLPAAMGAQVAEPDSTVVCITGDGSIQMNIQELSTCLQYRL
PVKVACLNNHYLGMVRQWQEFFYENRYAMSYVDALPDFVKLAEAYGHVGLRAHTPADVEP
VIREALRLKDRMVFMDFQVDPTENVYPMVPAGAALSEMILV

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