SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing CA265_RS15805 FitnessBrowser__Pedo557:CA265_RS15805 to proteins with known functional sites using BLASTp with E ≤ 0.001.

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

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

P09114 Acetolactate synthase 2, chloroplastic; ALS II; Acetohydroxy-acid synthase II; Acetolactate synthase II; EC 2.2.1.6 from Nicotiana tabacum (Common tobacco) (see paper)
44% identity, 97% coverage: 14:580/583 of query aligns to 77:654/664 of P09114

query
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P09114

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P191 (≠ F125) mutation to A: In S4-Hra; highly resistant to sulfonylurea herbicides; when associated with L-568.
W568 (= W502) mutation to L: In S4-Hra; highly resistant to sulfonylurea herbicides; when associated with A-191.

P09342 Acetolactate synthase 1, chloroplastic; ALS I; Acetohydroxy-acid synthase I; Acetolactate synthase I; EC 2.2.1.6 from Nicotiana tabacum (Common tobacco) (see 2 papers)
43% identity, 99% coverage: 3:580/583 of query aligns to 64:657/667 of P09342

query
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P09342

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C161 (≠ V92) modified: Disulfide link with 307
P194 (≠ F125) mutation to Q: In C3; highly resistant to sulfonylurea herbicides.
C307 (≠ V237) modified: Disulfide link with 161

7tzzA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase p197t mutant in complex with bispyribac-sodium (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 14:575/582 of 7tzzA

query
sites
7tzzA

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binding 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid: M266 (= M280), R292 (= R306), W489 (= W502), S568 (≠ Q573)
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 (= V413), G401 (= G414), Q402 (= Q415), H403 (= H416), G426 (= G439), M428 (= M441), G452 (= G465), D453 (= D466), G454 (= G467), S455 (≠ G468), L483 (= L496), G484 (= G497), M485 (= M498), V486 (= V499)
binding flavin-adenine dinucleotide: R161 (= R174), G222 (= G234), G223 (≠ Q235), G224 (= G236), T246 (= T260), L247 (≠ I261), M248 (= M262), M263 (= M277), L264 (= L278), M266 (= M280), H267 (= H281), G286 (= G300), R288 (= R302), V293 (= V307), D310 (= D324), I311 (= I325), D329 (= D343), V330 (≠ C344), M405 (= M418), G423 (= G436)
binding magnesium ion: A37 (= A49), T82 (= T95), S83 (= S96), Q122 (= Q135), Y381 (≠ E394), D453 (= D466), M458 (= M471), Q461 (= Q474), N480 (= N493), H482 (≠ F495), K533 (≠ R538)

P17597 Acetolactate synthase, chloroplastic; AtALS; Acetohydroxy-acid synthase; Protein CHLORSULFURON RESISTANT 1; EC 2.2.1.6 from Arabidopsis thaliana (Mouse-ear cress) (see 8 papers)
42% identity, 95% coverage: 26:580/583 of query aligns to 99:660/670 of P17597

query
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P17597

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A122 (= A49) mutation to V: Reduced catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.
M124 (= M51) 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 (= E72) binding
S186 (= S114) binding
P197 (≠ F125) mutation to S: In csr1-1/GH50; resistant to sulfonylurea but not to imidazolinone herbicides.
R199 (≠ H127) mutation R->A,E: No effect on catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.
Q207 (= Q135) binding
K220 (= K148) binding
R246 (= R174) binding ; binding
K256 (= K184) binding
G308 (≠ Q235) binding
TL 331:332 (≠ TI 260:261) binding
C340 (≠ T269) modified: Cysteine sulfinic acid (-SO2H)
LGMH 349:352 (= LGMH 278:281) binding
GVRFD 371:375 (≠ GMRFD 300:304) binding
DR 376:377 (= DR 305:306) binding
DI 395:396 (= DI 324:325) binding
DV 414:415 (≠ DC 343:344) binding
QH 487:488 (= QH 415:416) binding
GG 508:509 (= GG 436:437) binding
GAM 511:513 (≠ GTM 439:441) binding
D538 (= D466) binding
DGS 538:540 (≠ DGG 466:468) binding
N565 (= N493) binding
NQHLGM 565:570 (≠ NRFLGM 493:498) binding
H567 (≠ F495) binding
W574 (= W502) binding ; mutation to L: Increased catalytic activity. Resistant to imidazolinone and sulfonylurea herbicides.; mutation to S: Slightly decreased catalytic activity. Resistant to imidazolinone and sulfonylurea herbicides.
S653 (≠ Q573) binding ; mutation to A: No effect on catalytic activity or sensitivity to herbicides.; mutation to F: No effect on catalytic activity. Resistant to imidazolinone herbicides and also slightly sulfonylurea-resistant.; mutation to N: In csr1-2/GH90; no effect on catalytic activity. Resistant to imidazolinone but not to sulfonylurea herbicides.; mutation to T: No effect on catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.

5k2oA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, pyrithiobac (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 14:575/585 of 5k2oA

query
sites
5k2oA

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V

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active site: Y33 (= Y45), G35 (= G47), G36 (= G48), A37 (= A49), S38 (≠ I50), E59 (= E72), T82 (= T95), F121 (= F134), Q122 (= Q135), E123 (= E136), K171 (= K184), M266 (= M280), V293 (= V307), V400 (= V413), G426 (= G439), M428 (= M441), D453 (= D466), N480 (= N493), H482 (≠ F495), L483 (= L496), M485 (= M498), V486 (= V499), W489 (= W502), H558 (≠ R563)
binding 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid: M266 (= M280), R292 (= R306), W489 (= W502), S568 (≠ Q573)
binding flavin-adenine dinucleotide: R161 (= R174), G222 (= G234), G223 (≠ Q235), G224 (= G236), T246 (= T260), L247 (≠ I261), M248 (= M262), L264 (= L278), G286 (= G300), R288 (= R302), D290 (= D304), V293 (= V307), D310 (= D324), I311 (= I325), D329 (= D343), V330 (≠ C344), Q404 (= Q417), M405 (= M418), G423 (= G436)
binding magnesium ion: D453 (= D466), N480 (= N493), H482 (≠ F495)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V413), G401 (= G414), Q402 (= Q415), H403 (= H416), M428 (= M441), D453 (= D466), G454 (= G467), S455 (≠ G468), N480 (= N493), H482 (≠ F495), L483 (= L496), G484 (= G497), M485 (= M498), V486 (= V499)

8et4A Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with amidosulfuron (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 14:575/582 of 8et4A

query
sites
8et4A

G

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K

A

A

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D

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M

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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 (= V413), G401 (= G414), Q402 (= Q415), H403 (= H416), G426 (= G439), M428 (= M441), G452 (= G465), D453 (= D466), G454 (= G467), S455 (≠ G468), M458 (= M471), N480 (= N493), H482 (≠ F495), L483 (= L496), G484 (= G497), M485 (= M498), V486 (= V499)
binding flavin-adenine dinucleotide: R161 (= R174), G222 (= G234), G223 (≠ Q235), G224 (= G236), T246 (= T260), L247 (≠ I261), M248 (= M262), L264 (= L278), M266 (= M280), H267 (= H281), G286 (= G300), V287 (≠ M301), R288 (= R302), D290 (= D304), R292 (= R306), V293 (= V307), D310 (= D324), I311 (= I325), D329 (= D343), V330 (≠ C344), M405 (= M418), G423 (= G436)
binding magnesium ion: F370 (≠ Y384), D453 (= D466), M458 (= M471), Q461 (= Q474), N480 (= N493), H482 (≠ F495), K533 (≠ R538)
binding N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide: M266 (= M280), R292 (= R306), M485 (= M498), W489 (= W502), S568 (≠ Q573)

5wj1A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 14:575/582 of 5wj1A

query
sites
5wj1A

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F

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Q

E
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E

T

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D

P

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I

I

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N

E

I

V

T

T

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I

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x
V

K

K

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A

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Q

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-

N

N

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F

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A

-

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-

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-

E

-

I

-

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P

P

D

N

F

M

V

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A

L

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A

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A

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A

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C

Y

G

I

I

E

P

A

A

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A

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V

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E

K

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K

A

A

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D

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L

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R

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E

A

A

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E

Q

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T

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M

I

L

N

D

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G

G

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Y

Y

L

L

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D

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H

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active site: Y33 (= Y45), G35 (= G47), G36 (= G48), A37 (= A49), S38 (≠ I50), E59 (= E72), T82 (= T95), F121 (= F134), Q122 (= Q135), E123 (= E136), K171 (= K184), M266 (= M280), V293 (= V307), V400 (= V413), G426 (= G439), M428 (= M441), D453 (= D466), N480 (= N493), H482 (≠ F495), L483 (= L496), M485 (= M498), V486 (= V499), W489 (= W502), H558 (≠ R563)
binding flavin-adenine dinucleotide: R161 (= R174), G222 (= G234), G223 (≠ Q235), G224 (= G236), T246 (= T260), L247 (≠ I261), M248 (= M262), M263 (= M277), L264 (= L278), G286 (= G300), R288 (= R302), V293 (= V307), D310 (= D324), I311 (= I325), D329 (= D343), V330 (≠ C344), M405 (= M418), G423 (= G436), G424 (= G437)
binding magnesium ion: D453 (= D466), N480 (= N493), H482 (≠ F495)
binding 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide: M266 (= M280), D291 (= D305), R292 (= R306), M485 (= M498), W489 (= W502), S568 (≠ Q573)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V413), G401 (= G414), Q402 (= Q415), H403 (= H416), M428 (= M441), D453 (= D466), G454 (= G467), S455 (≠ G468), M458 (= M471), N480 (= N493), H482 (≠ F495), L483 (= L496), G484 (= G497), M485 (= M498), V486 (= V499)

5k6tA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, propoxycarbazone-sodium (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 14:575/582 of 5k6tA

query
sites
5k6tA

G

G

S

A

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A

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K

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A

A

L

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T

T

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M

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Y

L

L

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H

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E

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H

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M

M

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active site: Y33 (= Y45), G35 (= G47), G36 (= G48), A37 (= A49), S38 (≠ I50), E59 (= E72), T82 (= T95), F121 (= F134), Q122 (= Q135), E123 (= E136), K171 (= K184), M266 (= M280), V293 (= V307), V400 (= V413), G426 (= G439), M428 (= M441), D453 (= D466), N480 (= N493), H482 (≠ F495), L483 (= L496), M485 (= M498), V486 (= V499), W489 (= W502), H558 (≠ R563)
binding methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate: H267 (= H281), R292 (= R306), M485 (= M498), W489 (= W502), S568 (≠ Q573)
binding flavin-adenine dinucleotide: R161 (= R174), G222 (= G234), G223 (≠ Q235), G224 (= G236), T246 (= T260), L247 (≠ I261), M248 (= M262), L264 (= L278), G286 (= G300), R288 (= R302), D290 (= D304), R292 (= R306), V293 (= V307), D310 (= D324), I311 (= I325), D329 (= D343), V330 (≠ C344), Q404 (= Q417), M405 (= M418), G423 (= G436)
binding magnesium ion: D453 (= D466), N480 (= N493), H482 (≠ F495)
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 (= V413), G401 (= G414), Q402 (= Q415), H403 (= H416), G426 (= G439), M428 (= M441), G452 (= G465), G454 (= G467), S455 (≠ G468), N480 (= N493), H482 (≠ F495), L483 (= L496), G484 (= G497)

5k6rA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, thiencarbazone-methyl (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 14:575/582 of 5k6rA

query
sites
5k6rA

G

G

S

A

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A

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G

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A

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T

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N

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G

G

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A

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S

S

T

V

P

P

L

L

V

V

C

A

I

I

T

T

G

G

Q

Q

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V

F

P

A

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H

R

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M

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I

G

G

T

T

D

D

A

A

F
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F

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Q

E
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E

T

T

D

P

V

I

I

V

N

E

I

V

T

T

T

R

P

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I

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T

K

K

W

H

N

N

Y

Y

Q

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D

D

A

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K

E

E

D

I

I

Q

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E

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I

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I

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E

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E

A

A

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F

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F

I

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A

A

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R

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L

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Y

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E

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-

M

-

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-

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I

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Y

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A

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G

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x
G

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L

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M

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D

I
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I

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N

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C

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C
x
V

K

K

E

L

T

A

L

L

P

Q

L

G

L

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-

N

N

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N

L

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E

N

N

K

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A

E

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E

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L

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A

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N

Q

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L

E

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I

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D

Q

Q

K

V

Q

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P

P

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Y

F

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-

F

G

G

D

E

E

A

M

I

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M

P

G

Q

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Y

V

A

L

I

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N

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I

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N

D

E

E

I

L

C

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G

D

G

G

D

K

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V

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G

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Q

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H

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M
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M

V

W

A

A

C

A

R

Q

Y

F

A

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M

G

G

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F

G

G

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L

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A

A

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I

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G

A

A

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A

A

N

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P

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D

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A

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V

I

V

A

D

I

I

I

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D

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M

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Q

E

E

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L

G

A

T

T

I

I

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F

E

G

N

A

L

A

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V

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K

I

V

L

L

I

L

L

L

N

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N
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x
H

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L

G
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G

M
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M

V
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V

R

M

Q

Q

W
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W

Q

E

Q

D

L

R

F

F

H

Y

-

K

-

A

D

N

K

R

R

A

Y

H

S

T

F

F

V

L

N

G

I

D

T

P

S

A

-

Q

-

E

-

D

-

E

-

I

-

F

P

P

D

N

F

M

V

L

A

L

L

F

A

A

K

A

S

A

Y

C

Y

G

I

I

E

P

A

A

S

A

K

R

V

V

D

T

E

K

R

K

A

A

N

D

L

L

R

R

Q

E

A

A

L

I

E

Q

T

T

M

M

I

L

N

D

H

T

E

P

G

G

S

P

Y

Y

L

L

E

D

V

V

M

I

V

C

G

P

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x
H

E

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N

E

N

H

V

V

F

L

P

P

M

M

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active site: Y33 (= Y45), G35 (= G47), G36 (= G48), A37 (= A49), S38 (≠ I50), E59 (= E72), T82 (= T95), F121 (= F134), Q122 (= Q135), E123 (= E136), K171 (= K184), M266 (= M280), V293 (= V307), V400 (= V413), G426 (= G439), M428 (= M441), D453 (= D466), N480 (= N493), H482 (≠ F495), L483 (= L496), M485 (= M498), V486 (= V499), W489 (= W502), H558 (≠ R563)
binding methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate: R292 (= R306), W489 (= W502), S568 (≠ Q573)
binding flavin-adenine dinucleotide: R161 (= R174), G222 (= G234), G223 (≠ Q235), G224 (= G236), T246 (= T260), L247 (≠ I261), M248 (= M262), L264 (= L278), M266 (= M280), G286 (= G300), R288 (= R302), R292 (= R306), V293 (= V307), D310 (= D324), I311 (= I325), G328 (= G342), D329 (= D343), V330 (≠ C344), M405 (= M418), G423 (= G436)
binding magnesium ion: D453 (= D466), N480 (= N493), H482 (≠ F495)
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 (= V413), G401 (= G414), Q402 (= Q415), H403 (= H416), G426 (= G439), M428 (= M441), D453 (= D466), G454 (= G467), S455 (≠ G468), M458 (= M471), N480 (= N493), H482 (≠ F495), L483 (= L496), G484 (= G497), M485 (= M498), V486 (= V499)

1z8nA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with an imidazolinone herbicide, imazaquin (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 14:575/582 of 1z8nA

query
sites
1z8nA

G

G

S

A

Q

D

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I

L

L

L

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E

G

A

L

L

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E

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E

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Y

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A
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I
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M

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I

I

Y

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A

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E

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A

A

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A

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T

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S

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G

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P

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G

A

A

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T

N

N

L

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G

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I

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D

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I

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V

K

K

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L

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F

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A

A

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G

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A

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I

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A

A

N

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D

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A

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I

V

A

D

I

I

I

D

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G

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S

F

F

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I

M

M

T

N

P

V

Q

Q

E

E

L

L

G

A

T

T

I

I

M

R

Q

V

F

E

G

N

A

L

A

P

V

V

K

K

I

V

L

L

I

L

L

L

N

N

N
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R

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F
x
H

L
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L

G
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G

M
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M

V
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V

R

M

Q

Q

W
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W

Q

E

Q

D

L

R

F

F

H

Y

-

K

-

A

D

N

K

R

R

A

Y

H

S

T

F

F

V

L

N

G

I

D

T

P

S

A

-

Q

-

E

-

D

-

E

-

I

-

F

P

P

D

N

F

M

V

L

A

L

L

F

A

A

K

A

S

A

Y

C

Y

G

I

I

E

P

A

A

S

A

K

R

V

V

D

T

E

K

R

K

A

A

N

D

L

L

R

R

Q

E

A

A

L

I

E

Q

T

T

M

M

I

L

N

D

H

T

E

P

G

G

S

P

Y

Y

L

L

E

D

V

V

M

I

V

C

G

P

R
x
H

E

Q

N

E

N

H

V

V

F

L

P

P

M

M

V

I

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P

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S

G
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G

M

G

S

T

V

F

S

N

E

D

I

V

active site: Y33 (= Y45), G35 (= G47), G36 (= G48), A37 (= A49), S38 (≠ I50), E59 (= E72), T82 (= T95), F121 (= F134), Q122 (= Q135), E123 (= E136), K171 (= K184), M266 (= M280), V293 (= V307), V400 (= V413), G426 (= G439), M428 (= M441), D453 (= D466), N480 (= N493), H482 (≠ F495), L483 (= L496), M485 (= M498), V486 (= V499), W489 (= W502), H558 (≠ R563)
binding 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)quinoline-3-carboxylic acid: K135 (= K148), R161 (= R174), Y191 (= Y205), R194 (vs. gap), D291 (= D305), R292 (= R306), D312 (= D326), W489 (= W502), G569 (= G574)
binding flavin-adenine dinucleotide: R161 (= R174), G222 (= G234), G224 (= G236), T246 (= T260), L247 (≠ I261), M248 (= M262), L264 (= L278), G265 (= G279), M266 (= M280), H267 (= H281), G286 (= G300), V287 (≠ M301), R288 (= R302), D290 (= D304), R292 (= R306), V293 (= V307), D310 (= D324), I311 (= I325), D329 (= D343), V330 (≠ C344), M405 (= M418), G423 (= G436), G424 (= G437)
binding magnesium ion: D453 (= D466), N480 (= N493)
binding thiamine diphosphate: V400 (= V413), G401 (= G414), Q402 (= Q415), H403 (= H416), G426 (= G439), M428 (= M441), G452 (= G465), G454 (= G467), S455 (≠ G468), N480 (= N493), H482 (≠ F495), L483 (= L496), G484 (= G497), M485 (= M498), V486 (= V499)

1yi1A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 14:575/582 of 1yi1A

query
sites
1yi1A

G

G

S

A

Q

D

V

I

L

L

L

V

N

E

G

A

L

L

I

E

E

R

E

Q

G

G

V

V

T

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
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A

I
x
S

M

M

P

E

I

I

Y

H

D

Q

A

A

L

L

Y

-

D

T

Y

R

A

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D

S

K

S

L

I

E

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

G

G

I

V

H

F

A

A

Q

E

G

G

F

Y

A

A

R

R

A

S

S

S

G

G

E

K

V

P

G

G

V

I

V

C

F

I

A

A

T
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T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

L

L

A

A

D

D

A

A

Q

L

I

L

D

D

S

S

T

V

P

P

L

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

F

P

A

R

H

R

L

M

L

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

T

T

D

P

V

I

I

V

N

E

I

V

T

T

T

R

P

S

V

I

T

T

K

K

W

H

N

N

Y

Y

Q

L

V

V

T

M

D

D

A

V

K

E

E

D

I

I

Q

P

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R

V

I

L

I

A

E

K

E

A

A

F

F

Y

F

I

L

A

A

K

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

I

V

D

D

I

V

T

P

K
|
K

N

D

A

I

Q

Q

L

Q

Q

Q

L

L

E

-

E

A

F

I

P

P

E

N

Y

W

V

E

K

Q

C

A

N

M

H

R

I

L

R

P

S

G

Y

Y

-

M

-

S

-

R

R

M

P

P

K

K

P

P

K

P

V

-

R

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I

D

E

S

Y

H

I

L

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Q

Q

A

I

A

V

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L

L

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I

N

S

S

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A

S

K

K

P

P

F

V

V

L

L

Y

F

V

G

G

Q
x
G

G
|
G

V

C

I

L

L

-

G

-

S

N

A

S

E

S

E

D

E

E

F

L

K

G

A

R

F

F

I

V

N

E

K

L

T

T

G

G

I

I

P

P

A

V

A

A

W

S

T
|
T

I
x
L

M
|
M

G

G

E

L

G

G

A

S

I

Y

P

P

T

C

S

D

H

D

P

E

L

L

N

S

V

L

G

H

M
|
M

L
|
L

G
|
G

M
|
M

H
|
H

G

G

N

T

Y

V

G

Y

P

A

N

N

V

Y

L

A

T

V

N

E

E

H

A

S

D

D

V

L

I

L

A

A

I

F

G
|
G

M
x
V

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

G

G

R

K

L

L

D

E

K

A

Y

F

A

A

K

S

Q

R

A

A

R

K

V

I

V

V

H

H

L

I

D
|
D

I
|
I

D

D

P

S

A

A

E

E

I

I

D

G

K

K

N

N

V

K

K

T

A

P

E

H

V

V

G

S

V

V

W

C

G

G

D
|
D

C
x
V

K

K

E

L

T

A

L

L

P

Q

L

G

L

M

T

-

N

N

L

K

V

V

N

L

E

E

N

N

K

R

H

A

E

E

D

E

W

L

L

K

A

L

K

D

F

F

R

G

Q

V

Y

W

-

R

N

N

Q

E

E

L

E

N

I

V

D

Q

Q

K

V

Q

I

K

T

F

P

P

E

L

L

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Y

F

P

K

T

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-

F

G

G

D

E

E

A

M

I

T

P

M

P

G

Q

E

Y

V

A

L

I

R

K

N

V

I

L

N

D

E

E

I

L

C

T

G

D

G

G

D

K

A

A

V

I

I

I

V

S

T

T

D

G

V
|
V

G

G

Q

Q

H

H

Q

Q

M
|
M

V

W

A

A

C

A

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Y

F

A

Y

K

N

F

Y

N

K

T

P

R

R

S

Q

N

W

I

L

T

S

S

S

G
|
G

L

L

G
|
G

T

A

M
|
M

G

G

F

F

G

G

L

L

P

P

A

A

I

I

G

G

A

A

K

S

Y

V

G

A

A

N

P

P

D

D

K

A

T

I

V

V

I

V

A

D

I

I

I

D

G

G

D
|
D

G

G

G

S

F

F

Q

I

M

M

T

N

P

V

Q

Q

E

E

L

L

G

A

T

T

I

I

M

R

Q

V

F

E

G

N

A

L

A

P

V

V

K

K

I

V

L

L

I

L

L

L

N

N

N
|
N

R

Q

F
x
H

L
|
L

G

G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

Q

D

L

R

F

F

H

Y

-

K

-

A

D

N

K

R

R

A

Y

H

S

T

F

F

V

L

N

G

I

D

T

P

S

A

-

Q

-

E

-

D

-

E

-

I

-

F

P

P

D

N

F

M

V

L

A

L

L

F

A

A

K

A

S

A

Y

C

Y

G

I

I

E

P

A

A

S

A

K

R

V

V

D

T

E

K

R

K

A

A

N

D

L

L

R

R

Q

E

A

A

L

I

E

Q

T

T

M

M

I

L

N

D

H

T

E

P

G

G

S

P

Y

Y

L

L

E

D

V

V

M

I

V

C

G

P

R
x
H

E

Q

N

E

N

H

V

V

F

L

P

P

M

M

V

I

P

P

Q
x
S

G

G

M

G

S

T

V

F

S

N

E

D

I

V

active site: Y33 (= Y45), G35 (= G47), G36 (= G48), A37 (= A49), S38 (≠ I50), E59 (= E72), T82 (= T95), F121 (= F134), Q122 (= Q135), E123 (= E136), K171 (= K184), M266 (= M280), V293 (= V307), V400 (= V413), G426 (= G439), M428 (= M441), D453 (= D466), N480 (= N493), H482 (≠ F495), L483 (= L496), M485 (= M498), V486 (= V499), W489 (= W502), H558 (≠ R563)
binding methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate: D291 (= D305), R292 (= R306), W489 (= W502), S568 (≠ Q573)
binding flavin-adenine dinucleotide: R161 (= R174), G223 (≠ Q235), G224 (= G236), T246 (= T260), L247 (≠ I261), M248 (= M262), M263 (= M277), L264 (= L278), G265 (= G279), M266 (= M280), H267 (= H281), G286 (= G300), V287 (≠ M301), R288 (= R302), D290 (= D304), V293 (= V307), D310 (= D324), I311 (= I325), D329 (= D343), V330 (≠ C344), M405 (= M418), G423 (= G436), G424 (= G437)
binding magnesium ion: D453 (= D466), N480 (= N493), H482 (≠ F495)

1yi0A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, sulfometuron methyl (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 14:575/582 of 1yi0A

query
sites
1yi0A

G

G

S

A

Q

D

V

I

L

L

L

V

N

E

G

A

L

L

I

E

E

R

E

Q

G

G

V

V

T

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

I
x
S

M

M

P

E

I

I

Y

H

D

Q

A

A

L

L

Y

-

D

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Y

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D

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N

I

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L

L

V

P

R

R

H

H

E
|
E

Q

Q

G

G

I

V

H

F

A

A

Q

E

G

G

F

Y

A

A

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R

A

S

S

S

G

G

E

K

V

P

G

G

V

I

V

C

F

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

L

L

A

A

D

D

A

A

Q

L

I

L

D

D

S

S

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V

P

P

L

L

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V

C

A

I

I

T

T

G

G

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Q

V

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F

P

A

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H

R

L

M

L

I

G

G

T

T

D

D

A

A

F
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F

Q
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Q

E
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E

T

T

D

P

V

I

I

V

N

E

I

V

T

T

T

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I

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K

K

W

H

N

N

Y

Y

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V

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D

D

A

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K

E

E

D

I

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V

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L

I

A

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K

E

A

A

F

F

Y

F

I

L

A

A

K

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

I

V

D

D

I

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K
|
K

N

D

A

I

Q

Q

L

Q

Q

Q

L

L

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-

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A

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I

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P

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Y

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L

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S

S

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A

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K

K

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P

F

V

V

L

L

Y

F

V

G
|
G

Q
x
G

G
|
G

V

C

I

L

L

-

G

-

S

N

A

S

E

S

E

D

E

E

F

L

K

G

A

R

F

F

I

V

N

E

K

L

T

T

G

G

I

I

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P

A

V

A

A

W

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T

I
x
L

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M

G

G

E

L

G

G

A

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Y

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P

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H

D

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E

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V

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

N

T

Y

V

G

Y

P

A

N

N

V

Y

L

A

T

V

N

E

E

H

A

S

D

D

V

L

I

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A

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I

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G
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G

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x
V

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R

F

F

D
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D

R
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R

V
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V

T

T

G

G

R

K

L

L

D

E

K

A

Y

F

A

A

K

S

Q

R

A

A

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K

V

I

V

V

H

H

L

I

D
|
D

I
|
I

D

D

P

S

A

A

E

E

I

I

D

G

K

K

N

N

V

K

K

T

A

P

E

H

V

V

G

S

V

V

W

C

G
|
G

D
|
D

C
x
V

K

K

E

L

T

A

L

L

P

Q

L

G

L

M

T

-

N

N

L

K

V

V

N

L

E

E

N

N

K

R

H

A

E

E

D

E

W

L

L

K

A

L

K

D

F

F

R

G

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Y

W

-

R

N

N

Q

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L

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I

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K

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P

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L

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F

G

G

D

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M

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M

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G

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Y

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N

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L

N

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G

G

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A

A

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I

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|
V

G

G

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Q

H

H

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M
|
M

V

W

A

A

C

A

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F

A

Y

K

N

F

Y

N

K

T

P

R

R

S

Q

N

W

I

L

T

S

S

S

G
|
G

L

L

G
|
G

T

A

M
|
M

G

G

F

F

G

G

L

L

P

P

A

A

I

I

G

G

A

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Y

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G

A

A

N

P

P

D

D

K

A

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I

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V

I

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D

I

I

I

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G

G

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|
D

G

G

G

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F

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M

M

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N

P

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L

L

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T

I

I

M

R

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F

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G

N

A

L

A

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V

V

K

K

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L

I

L

L

L

N

N

N
|
N

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x
H

L
|
L

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G

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|
M

V
|
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R

M

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W
|
W

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D

L

R

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F

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Y

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K

-

A

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N

K

R

R

A

Y

H

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F

F

V

L

N

G

I

D

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P

S

A

-

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-

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-

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-

I

-

F

P

P

D

N

F

M

V

L

A

L

L

F

A

A

K

A

S

A

Y

C

Y

G

I

I

E

P

A

A

S

A

K

R

V

V

D

T

E

K

R

K

A

A

N

D

L

L

R

R

Q

E

A

A

L

I

E

Q

T

T

M

M

I

L

N

D

H

T

E

P

G

G

S

P

Y

Y

L

L

E

D

V

V

M

I

V

C

G

P

R
x
H

E

Q

N

E

N

H

V

V

F

L

P

P

M

M

V

I

P

P

Q
x
S

G

G

M

G

S

T

V

F

S

N

E

D

I

V

active site: Y33 (= Y45), G35 (= G47), G36 (= G48), A37 (= A49), S38 (≠ I50), E59 (= E72), T82 (= T95), F121 (= F134), Q122 (= Q135), E123 (= E136), K171 (= K184), M266 (= M280), V293 (= V307), V400 (= V413), G426 (= G439), M428 (= M441), D453 (= D466), N480 (= N493), H482 (≠ F495), L483 (= L496), M485 (= M498), V486 (= V499), W489 (= W502), H558 (≠ R563)
binding methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D291 (= D305), R292 (= R306), W489 (= W502), S568 (≠ Q573)
binding flavin-adenine dinucleotide: R161 (= R174), G222 (= G234), G223 (≠ Q235), G224 (= G236), T246 (= T260), L247 (≠ I261), M248 (= M262), L264 (= L278), G265 (= G279), M266 (= M280), H267 (= H281), G286 (= G300), V287 (≠ M301), R288 (= R302), D290 (= D304), R292 (= R306), V293 (= V307), D310 (= D324), I311 (= I325), G328 (= G342), D329 (= D343), V330 (≠ C344), M405 (= M418), G423 (= G436), G424 (= G437)
binding magnesium ion: D453 (= D466), N480 (= N493), H482 (≠ F495)

1yhzA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 14:575/582 of 1yhzA

query
sites
1yhzA

G

G

S

A

Q

D

V

I

L

L

L

V

N

E

G

A

L

L

I

E

E

R

E

Q

G

G

V

V

T

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

I
x
S

M

M

P

E

I

I

Y

H

D

Q

A

A

L

L

Y

-

D

T

Y

R

A

S

D

S

K

S

L

I

E

R

H

N

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

G

G

I

V

H

F

A

A

Q

E

G

G

F

Y

A

A

R

R

A

S

S

S

G

G

E

K

V

P

G

G

V

I

V

C

F

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

L

L

A

A

D

D

A

A

Q

L

I

L

D

D

S

S

T

V

P

P

L

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

F

P

A

R

H

R

L

M

L

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

T

T

D

P

V

I

I

V

N

E

I

V

T

T

T

R

P

S

V

I

T

T

K

K

W

H

N

N

Y

Y

Q

L

V

V

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M

D

D

A

V

K

E

E

D

I

I

Q

P

E

R

V

I

L

I

A

E

K

E

A

A

F

F

Y

F

I

L

A

A

K

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

I

V

D

D

I

V

T

P

K
|
K

N

D

A

I

Q

Q

L

Q

Q

Q

L

L

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-

E

A

F

I

P

P

E

N

Y

W

V

E

K

Q

C

A

N

M

H

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I

L

R

P

S

G

Y

Y

-

M

-

S

-

R

R

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P

K

K

P

P

K

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-

R

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I

D

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S

Y

H

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L

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Q

Q

A

I

A

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L

L

I

I

N

S

S

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A

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K

K

P

P

F

V

V

L

L

Y

F

V

G

G

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x
G

G
|
G

V

C

I

L

L

-

G

-

S

N

A

S

E

S

E

D

E

E

F

L

K

G

A

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F

F

I

V

N

E

K

L

T

T

G

G

I

I

P

P

A

V

A

A

W

S

T
|
T

I
x
L

M
|
M

G

G

E

L

G

G

A

S

I

Y

P

P

T

C

S

D

H

D

P

E

L

L

N

S

V

L

G

H

M

M

L
|
L

G

G

M
|
M

H
|
H

G

G

N

T

Y

V

G

Y

P

A

N

N

V

Y

L

A

T

V

N

E

E

H

A

S

D

D

V

L

I

L

A

A

I

F

G
|
G

M
x
V

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

G

G

R

K

L

L

D

E

K

A

Y

F

A

A

K

S

Q

R

A

A

R

K

V

I

V

V

H

H

L

I

D
|
D

I
|
I

D

D

P

S

A

A

E

E

I

I

D

G

K

K

N

N

V

K

K

T

A

P

E

H

V

V

G

S

V

V

W

C

G

G

D
|
D

C
x
V

K

K

E

L

T

A

L

L

P

Q

L

G

L

M

T

-

N

N

L

K

V

V

N

L

E

E

N

N

K

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H

A

E

E

D

E

W

L

L

K

A

L

K

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F

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G

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Y

W

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R

N

N

Q

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L

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F

P

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L

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F

G

G

D

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A

M

I

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M

P

G

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Y

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A

L

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K

N

V

I

L

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D

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E

I

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G

D

G

G

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K

A

A

V

I

I

I

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T

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D

G

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V

G

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Q

H

H

Q
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Q

M
|
M

V

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A

A

C

A

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A

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N

F

Y

N

K

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W

I

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S

S

G
|
G

L

L

G
|
G

T

A

M
|
M

G

G

F

F

G

G

L

L

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P

A

A

I

I

G

G

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D

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|
D

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F

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L

L

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I

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Q

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F

E

G

N

A

L

A

P

V

V

K

K

I

V

L

L

I

L

L

L

N

N

N
|
N

R

Q

F
x
H

L
|
L

G

G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

Q

D

L

R

F

F

H

Y

-

K

-

A

D

N

K

R

R

A

Y

H

S

T

F

F

V

L

N

G

I

D

T

P

S

A

-

Q

-

E

-

D

-

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-

I

-

F

P

P

D

N

F

M

V

L

A

L

L

F

A

A

K

A

S

A

Y

C

Y

G

I

I

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P

A

A

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A

K

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V

V

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K

R

K

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A

N

D

L

L

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R

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A

A

L

I

E

Q

T

T

M

M

I

L

N

D

H

T

E

P

G

G

S

P

Y

Y

L

L

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D

V

V

M

I

V

C

G

P

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H

E

Q

N

E

N

H

V

V

F

L

P

P

M

M

V

I

P

P

Q
x
S

G

G

M

G

S

T

V

F

S

N

E

D

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active site: Y33 (= Y45), G35 (= G47), G36 (= G48), A37 (= A49), S38 (≠ I50), E59 (= E72), T82 (= T95), F121 (= F134), Q122 (= Q135), E123 (= E136), K171 (= K184), M266 (= M280), V293 (= V307), V400 (= V413), G426 (= G439), M428 (= M441), D453 (= D466), N480 (= N493), H482 (≠ F495), L483 (= L496), M485 (= M498), V486 (= V499), W489 (= W502), H558 (≠ R563)
binding 1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea: D291 (= D305), R292 (= R306), M485 (= M498), W489 (= W502), S568 (≠ Q573)
binding flavin-adenine dinucleotide: R161 (= R174), G223 (≠ Q235), G224 (= G236), T246 (= T260), L247 (≠ I261), M248 (= M262), L264 (= L278), M266 (= M280), H267 (= H281), G286 (= G300), V287 (≠ M301), R288 (= R302), D290 (= D304), V293 (= V307), D310 (= D324), I311 (= I325), D329 (= D343), V330 (≠ C344), Q404 (= Q417), M405 (= M418), G423 (= G436), G424 (= G437)
binding magnesium ion: D453 (= D466), N480 (= N493), H482 (≠ F495)

1yhyA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, metsulfuron methyl (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 14:575/582 of 1yhyA

query
sites
1yhyA

G

G

S

A

Q

D

V

I

L

L

L

V

N

E

G

A

L

L

I

E

E

R

E

Q

G

G

V

V

T

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

I
x
S

M

M

P

E

I

I

Y

H

D

Q

A

A

L

L

Y

-

D

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Y

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A

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D

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I

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R

H

N

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

G

G

I

V

H

F

A

A

Q

E

G

G

F

Y

A

A

R

R

A

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S

S

G

G

E

K

V

P

G

G

V

I

V

C

F

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

L

L

A

A

D

D

A

A

Q

L

I

L

D

D

S

S

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V

P

P

L

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

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F

P

A

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H

R

L

M

L

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

T

T

D

P

V

I

I

V

N

E

I

V

T

T

T

R

P

S

V

I

T

T

K

K

W

H

N

N

Y

Y

Q

L

V

V

T

M

D

D

A

V

K

E

E

D

I

I

Q

P

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V

I

L

I

A

E

K

E

A

A

F

F

Y

F

I

L

A

A

K

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S

S

G

G

R
|
R

P

P

G

G

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P

V

V

L

L

I

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D

D

I

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K
|
K

N

D

A

I

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Q

L

Q

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Y

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K

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V

V

L

L

Y

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G
|
G

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x
G

G
|
G

V

C

I

L

L

-

G

-

S

N

A

S

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S

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D

E

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F

L

K

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A

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F

F

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N

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K

L

T

T

G

G

I

I

P

P

A

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A

A

W

S

T
|
T

I
x
L

M
|
M

G

G

E

L

G

G

A

S

I

Y

P

P

T

C

S

D

H

D

P

E

L

L

N

S

V

L

G

H

M

M

L
|
L

G
|
G

M
|
M

H
|
H

G

G

N

T

Y

V

G

Y

P

A

N

N

V

Y

L

A

T

V

N

E

E

H

A

S

D

D

V

L

I

L

A

A

I

F

G
|
G

M
x
V

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

G

G

R

K

L

L

D

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K

A

Y

F

A

A

K

S

Q

R

A

A

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K

V

I

V

V

H

H

L

I

D
|
D

I
|
I

D

D

P

S

A

A

E

E

I

I

D

G

K

K

N

N

V

K

K

T

A

P

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H

V

V

G

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V

V

W

C

G

G

D
|
D

C
x
V

K

K

E

L

T

A

L

L

P

Q

L

G

L

M

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-

N

N

L

K

V

V

N

L

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E

N

N

K

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H

A

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D

E

W

L

L

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A

L

K

D

F

F

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G

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Y

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N

N

Q

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L

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N

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P

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L

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Y

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F

G

G

D

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E

A

M

I

T

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M

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G

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Y

V

A

L

I

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N

V

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L

N

D

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E

I

L

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G

D

G

G

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K

A

A

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I

I

I

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T

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D

G

V
|
V

G

G

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Q

H

H

Q
|
Q

M
|
M

V

W

A

A

C

A

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Y

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A

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N

F

Y

N

K

T

P

R

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Q

N

W

I

L

T

S

S

S

G
|
G

L

L

G
|
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T

A

M
|
M

G

G

F

F

G

G

L

L

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A

A

I

I

G

G

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D

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I

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|
D

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F

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M

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L

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I

I

M

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F

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G

N

A

L

A

P

V

V

K

K

I

V

L

L

I

L

L

L

N

N

N
|
N

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x
H

L
|
L

G

G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

Q

D

L

R

F

F

H

Y

-

K

-

A

D

N

K

R

R

A

Y

H

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F

F

V

L

N

G

I

D

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P

S

A

-

Q

-

E

-

D

-

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-

I

-

F

P

P

D

N

F

M

V

L

A

L

L

F

A

A

K

A

S

A

Y

C

Y

G

I

I

E

P

A

A

S

A

K

R

V

V

D

T

E

K

R

K

A

A

N

D

L

L

R

R

Q

E

A

A

L

I

E

Q

T

T

M

M

I

L

N

D

H

T

E

P

G

G

S

P

Y

Y

L

L

E

D

V

V

M

I

V

C

G

P

R
x
H

E

Q

N

E

N

H

V

V

F

L

P

P

M

M

V

I

P

P

Q
x
S

G

G

M

G

S

T

V

F

S

N

E

D

I

V

active site: Y33 (= Y45), G35 (= G47), G36 (= G48), A37 (= A49), S38 (≠ I50), E59 (= E72), T82 (= T95), F121 (= F134), Q122 (= Q135), E123 (= E136), K171 (= K184), M266 (= M280), V293 (= V307), V400 (= V413), G426 (= G439), M428 (= M441), D453 (= D466), N480 (= N493), H482 (≠ F495), L483 (= L496), M485 (= M498), V486 (= V499), W489 (= W502), H558 (≠ R563)
binding methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D291 (= D305), R292 (= R306), V486 (= V499), W489 (= W502), S568 (≠ Q573)
binding flavin-adenine dinucleotide: R161 (= R174), G222 (= G234), G223 (≠ Q235), G224 (= G236), T246 (= T260), L247 (≠ I261), M248 (= M262), L264 (= L278), G265 (= G279), M266 (= M280), H267 (= H281), G286 (= G300), V287 (≠ M301), R288 (= R302), D290 (= D304), V293 (= V307), D310 (= D324), I311 (= I325), D329 (= D343), V330 (≠ C344), Q404 (= Q417), M405 (= M418), G423 (= G436), G424 (= G437)
binding magnesium ion: D453 (= D466), N480 (= N493), H482 (≠ F495)

1ybhA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide chlorimuron ethyl (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 14:575/582 of 1ybhA

query
sites
1ybhA

G

G

S

A

Q

D

V

I

L

L

L

V

N

E

G

A

L

L

I

E

E

R

E

Q

G

G

V

V

T

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

I
x
S

M

M

P

E

I

I

Y

H

D

Q

A

A

L

L

Y

-

D

T

Y

R

A

S

D

S

K

S

L

I

E

R

H

N

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

G

G

I

V

H

F

A

A

Q

E

G

G

F

Y

A

A

R

R

A

S

S

S

G

G

E

K

V

P

G

G

V

I

V

C

F

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

L

L

A

A

D

D

A

A

Q

L

I

L

D

D

S

S

T

V

P

P

L

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

F

P

A

R

H

R

L

M

L

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

T

T

D

P

V

I

I

V

N

E

I

V

T

T

T

R

P

S

V

I

T

T

K

K

W

H

N

N

Y

Y

Q

L

V

V

T

M

D

D

A

V

K

E

E

D

I

I

Q

P

E

R

V

I

L

I

A

E

K

E

A

A

F

F

Y

F

I

L

A

A

K

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

I

V

D

D

I

V

T

P

K
|
K

N

D

A

I

Q

Q

L

Q

Q

Q

L

L

E

-

E

A

F

I

P

P

E

N

Y

W

V

E

K

Q

C

A

N

M

H

R

I

L

R

P

S

G

Y

Y

-

M

-

S

-

R

R

M

P

P

K

K

P

P

K

P

V

-

R

E

I

D

E

S

Y

H

I

L

E

E

Q

Q

A

I

A

V

E

R

L

L

I

I

N

S

S

E

A

S

K

K

P

P

F

V

V

L

L

Y

F

V

G

G

Q
x
G

G
|
G

V

C

I

L

L

-

G

-

S

N

A

S

E

S

E

D

E

E

F

L

K

G

A

R

F

F

I

V

N

E

K

L

T

T

G

G

I

I

P

P

A

V

A

A

W

S

T
|
T

I
x
L

M
|
M

G

G

E

L

G

G

A

S

I

Y

P

P

T

C

S

D

H

D

P

E

L

L

N

S

V

L

G

H

M

M

L
|
L

G

G

M
|
M

H
|
H

G

G

N

T

Y

V

G

Y

P

A

N

N

V

Y

L

A

T

V

N

E

E

H

A

S

D

D

V

L

I

L

A

A

I

F

G
|
G

M
x
V

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

G

G

R

K

L

L

D

E

K

A

Y

F

A

A

K

S

Q

R

A

A

R

K

V

I

V

V

H

H

L

I

D
|
D

I
|
I

D

D

P

S

A

A

E

E

I

I

D

G

K

K

N

N

V

K

K

T

A

P

E

H

V

V

G

S

V

V

W

C

G

G

D
|
D

C
x
V

K

K

E

L

T

A

L

L

P

Q

L

G

L

M

T

-

N

N

L

K

V

V

N

L

E

E

N

N

K

R

H

A

E

E

D

E

W

L

L

K

A

L

K

D

F

F

R

G

Q

V

Y

W

-

R

N

N

Q

E

E

L

E

N

I

V

D

Q

Q

K

V

Q

I

K

T

F

P

P

E

L

L

S

Y

F

P

K

T

T

-

F

G

G

D

E

E

A

M

I

T

P

M

P

G

Q

E

Y

V

A

L

I

R

K

N

V

I

L

N

D

E

E

I

L

C

T

G

D

G

G

D

K

A

A

V

I

I

I

V

S

T

T

D

G

V
|
V

G

G

Q

Q

H

H

Q
|
Q

M
|
M

V

W

A

A

C

A

R

Q

Y

F

A

Y

K

N

F

Y

N

K

T

P

R

R

S

Q

N

W

I

L

T

S

S

S

G
|
G

L

L

G
|
G

T

A

M
|
M

G

G

F

F

G

G

L

L

P

P

A

A

I

I

G

G

A

A

K

S

Y

V

G

A

A

N

P

P

D

D

K

A

T

I

V

V

I

V

A

D

I

I

I

D

G

G

D
|
D

G

G

G

S

F

F

Q

I

M

M

T

N

P

V

Q

Q

E

E

L

L

G

A

T

T

I

I

M

R

Q

V

F

E

G

N

A

L

A

P

V

V

K

K

I

V

L

L

I

L

L

L

N

N

N
|
N

R

Q

F
x
H

L
|
L

G

G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

Q

D

L

R

F

F

H

Y

-

K

-

A

D

N

K

R

R

A

Y

H

S

T

F

F

V

L

N

G

I

D

T

P

S

A

-

Q

-

E

-

D

-

E

-

I

-

F

P

P

D

N

F

M

V

L

A

L

L

F

A

A

K

A

S

A

Y

C

Y

G

I

I

E

P

A

A

S

A

K

R

V

V

D

T

E

K

R

K

A

A

N

D

L

L

R

R

Q

E

A

A

L

I

E

Q

T

T

M

M

I

L

N

D

H

T

E

P

G

G

S

P

Y

Y

L

L

E

D

V

V

M

I

V

C

G

P

R
x
H

E

Q

N

E

N

H

V

V

F

L

P

P

M

M

V

I

P

P

Q
x
S

G

G

M

G

S

T

V

F

S

N

E

D

I

V

active site: Y33 (= Y45), G35 (= G47), G36 (= G48), A37 (= A49), S38 (≠ I50), E59 (= E72), T82 (= T95), F121 (= F134), Q122 (= Q135), E123 (= E136), K171 (= K184), M266 (= M280), V293 (= V307), V400 (= V413), G426 (= G439), M428 (= M441), D453 (= D466), N480 (= N493), H482 (≠ F495), L483 (= L496), M485 (= M498), V486 (= V499), W489 (= W502), H558 (≠ R563)
binding 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester: M266 (= M280), D291 (= D305), R292 (= R306), M485 (= M498), W489 (= W502), S568 (≠ Q573)
binding flavin-adenine dinucleotide: R161 (= R174), G223 (≠ Q235), G224 (= G236), T246 (= T260), L247 (≠ I261), M248 (= M262), L264 (= L278), M266 (= M280), H267 (= H281), G286 (= G300), V287 (≠ M301), R288 (= R302), D290 (= D304), V293 (= V307), D310 (= D324), I311 (= I325), D329 (= D343), V330 (≠ C344), Q404 (= Q417), M405 (= M418), G423 (= G436), G424 (= G437)
binding magnesium ion: D453 (= D466), N480 (= N493), H482 (≠ F495)

5k3sA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, bispyribac-sodium (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 14:575/583 of 5k3sA

query
sites
5k3sA

G

G

S

A

Q

D

V

I

L

L

L

V

N

E

G

A

L

L

I

E

E

R

E

Q

G

G

V

V

T

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

I
x
S

M

M

P

E

I

I

Y

H

D

Q

A

A

L

L

Y

-

D

T

Y

R

A

S

D

S

K

S

L

I

E

R

H

N

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

G

G

I

V

H

F

A

A

Q

E

G

G

F

Y

A

A

R

R

A

S

S

S

G

G

E

K

V

P

G

G

V

I

V

C

F

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

L

L

A

A

D

D

A

A

Q

L

I

L

D

D

S

S

T

V

P

P

L

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

F

P

A

R

H

R

L

M

L

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

T

T

D

P

V

I

I

V

N

E

I

V

T

T

T

R

P

S

V

I

T

T

K

K

W

H

N

N

Y

Y

Q

L

V

V

T

M

D

D

A

V

K

E

E

D

I

I

Q

P

E

R

V

I

L

I

A

E

K

E

A

A

F

F

Y

F

I

L

A

A

K

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

I

V

D

D

I

V

T

P

K
|
K

N

D

A

I

Q

Q

L

Q

Q

Q

L

L

E

-

E

A

F

I

P

P

E

N

Y

W

V

E

K

Q

C

A

N

M

H

R

I

L

R

P

S

G

Y

Y

-

M

-

S

-

R

R

M

P

P

K

K

P

P

K

P

V

-

R

E

I

D

E

S

Y

H

I

L

E

E

Q

Q

A

I

A

V

E

R

L

L

I

I

N

S

S

E

A

S

K

K

P

P

F

V

V

L

L

Y

F

V

G
|
G

Q
x
G

G
|
G

V

C

I

L

L

-

G

-

S

N

A

S

E

S

E

D

E

E

F

L

K

G

A

R

F

F

I

V

N

E

K

L

T

T

G

G

I

I

P

P

A

V

A

A

W

S

T
|
T

I
x
L

M
|
M

G

G

E

L

G

G

A

S

I

Y

P

P

T

C

S

D

H

D

P

E

L

L

N

S

V

L

G

H

M

M

L
|
L

G

G

M
|
M

H

H

G

G

N

T

Y

V

G

Y

P

A

N

N

V

Y

L

A

T

V

N

E

E

H

A

S

D

D

V

L

I

L

A

A

I

F

G
|
G

M

V

R
|
R

F

F

D
|
D

D

D

R
|
R

V
|
V

T

T

G

G

R

K

L

L

D

E

K

A

Y

F

A

A

K

S

Q

R

A

A

R

K

V

I

V

V

H

H

L

I

D
|
D

I
|
I

D

D

P

S

A

A

E

E

I

I

D

G

K

K

N

N

V

K

K

T

A

P

E

H

V

V

G

S

V

V

W

C

G

G

D
|
D

C
x
V

K

K

E

L

T

A

L

L

P

Q

L

G

L

M

T

-

N

N

L

K

V

V

N

L

E

E

N

N

K

R

H

A

E

E

D

E

W

L

L

K

A

L

K

D

F

F

R

G

Q

V

Y

W

-

R

N

N

Q

E

E

L

E

N

I

V

D

Q

Q

K

V

Q

I

K

T

F

P

P

E

L

L

S

Y

F

P

K

T

T

-

F

G

G

D

E

E

A

M

I

T

P

M

P

G

Q

E

Y

V

A

L

I

R

K

N

V

I

L

N

D

E

E

I

L

C

T

G

D

G

G

D

K

A

A

V

I

I

I

V

S

T

T

D

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

V

W

A

A

C

A

R

Q

Y

F

A

Y

K

N

F

Y

N

K

T

P

R

R

S

Q

N

W

I

L

T

S

S

S

G
|
G

G

G

L

L

G
|
G

T

A

M
|
M

G

G

F

F

G

G

L

L

P

P

A

A

I

I

G

G

A

A

K

S

Y

V

G

A

A

N

P

P

D

D

K

A

T

I

V

V

I

V

A

D

I

I

I

D

G

G

D
|
D

G
|
G

G
x
S

F

F

Q

I

M

M

T

N

P

V

Q

Q

E

E

L

L

G

A

T

T

I

I

M

R

Q

V

F

E

G

N

A

L

A

P

V

V

K

K

I

V

L

L

I

L

L

L

N

N

N
|
N

R

Q

F
x
H

L
|
L

G
|
G

M
|
M

V
|
V

R

M

Q

Q

W
|
W

Q

E

Q

D

L

R

F

F

H

Y

-

K

-

A

D

N

K

R

R

A

Y

H

S

T

F

F

V

L

N

G

I

D

T

P

S

A

-

Q

-

E

-

D

-

E

-

I

-

F

P

P

D

N

F

M

V

L

A

L

L

F

A

A

K

A

S

A

Y

C

Y

G

I

I

E

P

A

A

S

A

K

R

V

V

D

T

E

K

R

K

A

A

N

D

L

L

R

R

Q

E

A

A

L

I

E

Q

T

T

M

M

I

L

N

D

H

T

E

P

G

G

S

P

Y

Y

L

L

E

D

V

V

M

I

V

C

G

P

R
x
H

E

Q

N

E

N

H

V

V

F

L

P

P

M

M

V

I

P

P

Q

S

G
|
G

M

G

S

T

V

F

S

N

E

D

I

V

active site: Y33 (= Y45), G35 (= G47), G36 (= G48), A37 (= A49), S38 (≠ I50), E59 (= E72), T82 (= T95), F121 (= F134), Q122 (= Q135), E123 (= E136), K171 (= K184), M266 (= M280), V293 (= V307), V400 (= V413), G426 (= G439), M428 (= M441), D453 (= D466), N480 (= N493), H482 (≠ F495), L483 (= L496), M485 (= M498), V486 (= V499), W489 (= W502), H558 (≠ R563)
binding 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid: R292 (= R306), M485 (= M498), W489 (= W502), G569 (= G574)
binding flavin-adenine dinucleotide: R161 (= R174), G222 (= G234), G223 (≠ Q235), G224 (= G236), T246 (= T260), L247 (≠ I261), M248 (= M262), L264 (= L278), M266 (= M280), G286 (= G300), R288 (= R302), D290 (= D304), V293 (= V307), D310 (= D324), I311 (= I325), D329 (= D343), V330 (≠ C344), M405 (= M418), G423 (= G436)
binding magnesium ion: D453 (= D466), N480 (= N493), H482 (≠ F495)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V413), G401 (= G414), Q402 (= Q415), H403 (= H416), G426 (= G439), M428 (= M441), D453 (= D466), G454 (= G467), S455 (≠ G468), N480 (= N493), H482 (≠ F495), L483 (= L496), G484 (= G497), M485 (= M498), V486 (= V499)

3ea4A Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron-ester (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 13:574/582 of 3ea4A

query
sites
3ea4A

G

G

S

A

Q

D

V

I

L

L

L

V

N

E

G

A

L

L

I

E

E

R

E

Q

G

G

V

V

T

E

T

T

I

V

F

F

G

A

Y
|
Y

P

P

G
|
G

A
|
A

I
x
S

M

M

P

E

I

I

Y

H

D

Q

A

A

L

L

Y

-

D

T

Y

R

A

S

D

S

K

S

L

I

E

R

H

N

I

V

L

L

V

P

R

R

H

H

E
|
E

Q

Q

G

G

I

V

H

F

A

A

Q

E

G

G

F

Y

A

A

R

R

A

S

S

S

G

G

E

K

V

P

G

G

V

I

V

C

F

I

A

A

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

L

V

V

T

S

G

G

L

L

A

A

D

D

A

A

Q

L

I

L

D

D

S

S

T

V

P

P

L

L

V

V

C

A

I

I

T

T

G

G

Q

Q

V

V

F

P

A

R

H

R

L

M

L

I

G

G

T

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

T

T

D

P

V

I

I

V

N

E

I

V

T

T

T

R

P

S

V

I

T

T

K

K

W

H

N

N

Y

Y

Q

L

V

V

T

M

D

D

A

V

K

E

E

D

I

I

Q

P

E

R

V

I

L

I

A

E

K

E

A

A

F

F

Y

F

I

L

A

A

K

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

I

V

D

D

I

V

T

P

K
|
K

N

D

A

I

Q

Q

L

Q

Q

Q

L

L

E

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Y

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Q

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A

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Y

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-

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G

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x
G

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G

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A

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E

S

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x
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M

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L

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M

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H

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D

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I

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A

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C

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D

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x
V

K

K

E

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A

L

L

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Q

L

G

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-

N

N

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N

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N

N

K

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A

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N

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G

G

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M

V

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I

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A

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G

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D

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I

V

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G

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S

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Q

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L

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A

T

T

I

I

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N

A

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K

I

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L

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I

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H

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M

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L

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F

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Y

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K

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N

K

R

R

A

Y

H

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T

F

F

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L

N

G

I

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S

A

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Q

-

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D

-

E

-

I

-

F

P

P

D

N

F

M

V

L

A

L

L

F

A

A

K

A

S

A

Y

C

Y

G

I

I

E

P

A

A

S

A

K

R

V

V

D

T

E

K

R

K

A

A

N

D

L

L

R

R

Q

E

A

A

L

I

E

Q

T

T

M

M

I

L

N

D

H

T

E

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G

G

S

P

Y

Y

L

L

E

D

V

V

M

I

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C

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P

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x
H

E

Q

N

E

N

H

V

V

F

L

P

P

M

M

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x
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active site: Y32 (= Y45), G34 (= G47), G35 (= G48), A36 (= A49), S37 (≠ I50), E58 (= E72), T81 (= T95), F120 (= F134), Q121 (= Q135), E122 (= E136), K170 (= K184), M265 (= M280), V292 (= V307), V399 (= V413), G425 (= G439), M427 (= M441), D452 (= D466), N479 (= N493), H481 (≠ F495), L482 (= L496), M484 (= M498), V485 (= V499), W488 (= W502), H557 (≠ R563)
binding methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate: D290 (= D305), R291 (= R306), W488 (= W502), S567 (≠ Q573)
binding flavin-adenine dinucleotide-n5-isobutyl ketone: R160 (= R174), G221 (= G234), G222 (≠ Q235), G223 (= G236), T245 (= T260), L246 (≠ I261), M247 (= M262), L263 (= L278), G264 (= G279), M265 (= M280), H266 (= H281), G285 (= G300), R287 (= R302), D289 (= D304), R291 (= R306), D309 (= D324), I310 (= I325), G327 (= G342), D328 (= D343), V329 (≠ C344), M404 (= M418), G422 (= G436)
binding magnesium ion: D452 (= D466), N479 (= N493), H481 (≠ F495)
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 (= V413), G400 (= G414), Q401 (= Q415), H402 (= H416), M427 (= M441), G451 (= G465), D452 (= D466), G453 (= G467), S454 (≠ G468), N479 (= N493), H481 (≠ F495), L482 (= L496), G483 (= G497), M484 (= M498), V485 (= V499)

3e9yA Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron (see paper)
42% identity, 95% coverage: 26:580/583 of query aligns to 13:574/582 of 3e9yA

query
sites
3e9yA

G

G

S

A

Q

D

V

I

L

L

L

V

N

E

G

A

L

L

I

E

E

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E

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Y

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I
x
S

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M

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E

I

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Y

H

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A

A

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Y

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E

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Q

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A

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G

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Y

A

A

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R

A

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G

E

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V

C

F

I

A

A

T
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T

S

S

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G

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G

G

A

A

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A

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Y

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R

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G

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I
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I

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V

K

K

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L

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S

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-

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-

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K

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F

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A

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-

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-

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-

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-

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-

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F

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V

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A

L

L

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A

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C

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I

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P

A

A

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A

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E

K

R

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A

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L

L

R

R

Q

E

A

A

L

I

E

Q

T

T

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M

I

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D

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T

E

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G

G

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P

Y

Y

L

L

E

D

V

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C

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x
H

E

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N

E

N

H

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V

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L

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P

M

M

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P

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S

G

G

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G

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S

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E

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I

V

active site: Y32 (= Y45), G34 (= G47), G35 (= G48), A36 (= A49), S37 (≠ I50), E58 (= E72), T81 (= T95), F120 (= F134), Q121 (= Q135), E122 (= E136), K170 (= K184), M265 (= M280), V292 (= V307), V399 (= V413), G425 (= G439), M427 (= M441), D452 (= D466), N479 (= N493), H481 (≠ F495), L482 (= L496), M484 (= M498), V485 (= V499), W488 (= W502), H557 (≠ R563)
binding N-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide: D290 (= D305), R291 (= R306), W488 (= W502), S567 (≠ Q573)
binding flavin-adenine dinucleotide-n5-isobutyl ketone: R160 (= R174), G221 (= G234), G222 (≠ Q235), G223 (= G236), T245 (= T260), L246 (≠ I261), M247 (= M262), L263 (= L278), G285 (= G300), R287 (= R302), D289 (= D304), R291 (= R306), D309 (= D324), I310 (= I325), G327 (= G342), D328 (= D343), V329 (≠ C344), M404 (= M418), G422 (= G436)
binding magnesium ion: D452 (= D466), N479 (= N493), H481 (≠ F495)
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 (= V413), G400 (= G414), Q401 (= Q415), H402 (= H416), M427 (= M441), G451 (= G465), G453 (= G467), S454 (≠ G468), N479 (= N493), H481 (≠ F495), L482 (= L496), G483 (= G497), M484 (= M498), V485 (= V499)

6deqA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide penoxsulam (see paper)
39% identity, 96% coverage: 25:582/583 of query aligns to 15:580/601 of 6deqA

query
sites
6deqA

T

T

G

G

S

G

Q

E

V

I

L

F

L

H

N

E

G

M

L

M

I

L

E

R

E

H

G

K

V

V

T

D

T

T

I

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F

F

G

G

Y
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Y

P

A

G
|
G

A
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A

I
|
I

M

L

P

P

I

V

Y

F

D

D

A

A

L

I

Y

Y

D

N

Y

-

A

S

D

D

K

K

L

F

E

K

H

F

I

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L

L

V

P

R

R

H

H

E
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E

Q

Q

G

G

G

A

I

G

H

H

A

M

A

A

Q

E

G

G

F

Y

A

A

R

R

A

A

S

S

G

G

E

K

V

P

G

G

V

V

F

L

A

V

T
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T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

L

V

V

I

T

T

G

P

L

M

A

A

D

D

A

A

Q

L

I

M

D

D

S

G

T

V

P

P

L

L

V

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C

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I

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S

G

G

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Q

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V

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P

A

T

H

T

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A

L

I

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G

T

T

D

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A

A

F
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F

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E
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E

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A

D

D

V

I

I

V

N

G

I

I

T

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T

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P

S

V

C

T

T

K

K

W

W

N

N

Y

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M

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T

K

D

N

A

V

K

A

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E

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R

L

I

A

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K

E

A

A

F

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Y

E

I

I

A

A

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T

G

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active site: Y35 (= Y45), G37 (= G47), G38 (= G48), A39 (= A49), I40 (= I50), E61 (= E72), T84 (= T95), F123 (= F134), Q124 (= Q135), E125 (= E136), K173 (= K184), K232 (≠ E244), M268 (= M280), V295 (= V307), V411 (= V413), L436 (= L438), G437 (= G439), M439 (= M441), D464 (= D466), N491 (= N493), E493 (≠ F495), Q494 (≠ L496), M496 (= M498), V497 (= V499), W500 (= W502), L522 (= L524), N527 (≠ Y529), V528 (≠ I530)
binding flavin-adenine dinucleotide: R163 (= R174), G221 (= G234), A222 (≠ Q235), G223 (= G236), N226 (≠ L239), T248 (= T260), L249 (≠ I261), Q250 (≠ M262), L266 (= L278), G288 (= G300), A289 (≠ M301), R290 (= R302), D292 (= D304), R294 (= R306), V295 (= V307), E321 (≠ D324), I322 (= I325), D340 (= D343), V341 (≠ C344), M416 (= M418), G434 (= G436)
binding magnesium ion: D464 (= D466), N491 (= N493), E493 (≠ F495)
binding 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide: M268 (= M280), R294 (= R306), M496 (= M498), V497 (= V499), W500 (= W502), A571 (≠ Q573)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V411 (= V413), G412 (= G414), Q413 (= Q415), H414 (= H416), M439 (= M441), G463 (= G465), D464 (= D466), A465 (≠ G467), S466 (≠ G468), N491 (= N493), E493 (≠ F495), Q494 (≠ L496), G495 (= G497), M496 (= M498), V497 (= V499)

6demA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide bensulfuron methyl (see paper)
39% identity, 96% coverage: 25:582/583 of query aligns to 13:576/597 of 6demA

query
sites
6demA

T

T

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G

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active site: Y33 (= Y45), G35 (= G47), G36 (= G48), A37 (= A49), I38 (= I50), E59 (= E72), T82 (= T95), F121 (= F134), Q122 (= Q135), E123 (= E136), K171 (= K184), K228 (≠ E244), M264 (= M280), V291 (= V307), V407 (= V413), L432 (= L438), G433 (= G439), M435 (= M441), D460 (= D466), N487 (= N493), E489 (≠ F495), Q490 (≠ L496), M492 (= M498), V493 (= V499), W496 (= W502), L518 (= L524), N523 (≠ Y529), V524 (≠ I530)
binding methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate: M264 (= M280), D289 (= D305), R290 (= R306), M492 (= M498), W496 (= W502), A567 (≠ Q573)
binding flavin-adenine dinucleotide: R161 (= R174), G217 (= G234), A218 (≠ Q235), G219 (= G236), N222 (≠ L239), T244 (= T260), L245 (≠ I261), Q246 (≠ M262), L262 (= L278), G284 (= G300), A285 (≠ M301), R286 (= R302), D288 (= D304), R290 (= R306), V291 (= V307), E317 (≠ D324), I318 (= I325), N322 (≠ E329), D336 (= D343), V337 (≠ C344), M412 (= M418), G430 (= G436)
binding magnesium ion: D460 (= D466), N487 (= N493), E489 (≠ F495)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V407 (= V413), G408 (= G414), Q409 (= Q415), H410 (= H416), M435 (= M441), G459 (= G465), D460 (= D466), A461 (≠ G467), S462 (≠ G468), M465 (= M471), N487 (= N493), E489 (≠ F495), Q490 (≠ L496), G491 (= G497), M492 (= M498), V493 (= V499)

Query Sequence

>CA265_RS15805 FitnessBrowser__Pedo557:CA265_RS15805
METAQDTIQQNEAKAETSKTLFKGTGSQVLLNGLIEEGVTTIFGYPGGAIMPIYDALYDY
ADKLEHILVRHEQGGIHAAQGFARASGEVGVVFATSGPGATNLVTGLADAQIDSTPLVCI
TGQVFAHLLGTDAFQETDVINITTPVTKWNYQVTDAKEIQEVLAKAFYIAKSGRPGPVLI
DITKNAQLQLEEFPEYVKCNHIRSYRPKPKVRIEYIEQAAELINSAKKPFVLFGQGVILG
SAEEEFKAFINKTGIPAAWTIMGEGAIPTSHPLNVGMLGMHGNYGPNVLTNEADVIIAIG
MRFDDRVTGRLDKYAKQARVVHLDIDPAEIDKNVKAEVGVWGDCKETLPLLTNLVNENKH
EDWLAKFRQYNQEEIDQVITPELYPTGDEMTMGEVLRNINEICGGDAVIVTDVGQHQMVA
CRYAKFNNTRSNITSGGLGTMGFGLPAAIGAKYGAPDKTVIAIIGDGGFQMTPQELGTIM
QFGAAVKILILNNRFLGMVRQWQQLFHDKRYSFVNITSPDFVALAKSYYIEASKVDERAN
LRQALETMINHEGSYLLEVMVGRENNVFPMVPQGMSVSEIRLK

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