SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012974739.1 NCBI__GCF_000010725.1:WP_012974739.1 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)
44% identity, 96% coverage: 3:568/587 of query aligns to 94:661/670 of P17597

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A122 (= A31) mutation to V: Reduced catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.
M124 (≠ L33) 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 (= E53) binding thiamine diphosphate
S186 (= S95) binding FAD
P197 (= P106) mutation to S: In csr1-1/GH50; resistant to sulfonylurea but not to imidazolinone herbicides.
R199 (≠ H108) mutation R->A,E: No effect on catalytic activity. Resistant to imidazolinone herbicides but not to sulfonylurea herbicides.
Q207 (= Q116) binding thiamine diphosphate
K220 (= K129) binding (R)-imazaquin
R246 (= R155) binding (R)-imazaquin; binding FAD
K256 (= K165) binding chlorimuron-ethyl
G308 (= G215) binding FAD
TL 331:332 (= TL 242:243) binding FAD
C340 (≠ A251) modified: Cysteine sulfinic acid (-SO2H)
LGMH 349:352 (= LGMH 260:263) binding FAD
GVRFD 371:375 (≠ GARFD 282:286) binding FAD
DR 376:377 (= DR 287:288) binding chlorimuron-ethyl
DI 395:396 (= DI 306:307) binding FAD
DV 414:415 (≠ DC 325:326) binding FAD
QH 487:488 (= QH 400:401) binding thiamine diphosphate
GG 508:509 (= GG 421:422) binding FAD
GAM 511:513 (≠ GTM 424:426) binding thiamine diphosphate
D538 (≠ E451) binding Mg(2+)
DGS 538:540 (≠ EAS 451:453) binding thiamine diphosphate
N565 (= N478) binding Mg(2+)
NQHLGM 565:570 (≠ NQYMGM 478:483) binding thiamine diphosphate
H567 (≠ Y480) binding Mg(2+)
W574 (= W487) 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 (≠ G560) 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)
44% identity, 96% coverage: 3:568/587 of query aligns to 9:576/582 of 8et4A

query
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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 (= V398), G401 (= G399), Q402 (= Q400), H403 (= H401), G426 (= G424), M428 (= M426), G452 (= G450), D453 (≠ E451), G454 (≠ A452), S455 (= S453), M458 (= M456), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), G484 (= G482), M485 (= M483), V486 (= V484)
binding flavin-adenine dinucleotide: R161 (= R155), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T242), L247 (= L243), M248 (= M244), L264 (= L260), M266 (= M262), H267 (= H263), G286 (= G282), V287 (≠ A283), R288 (= R284), D290 (= D286), R292 (= R288), V293 (= V289), D310 (= D306), I311 (= I307), D329 (= D325), V330 (≠ C326), M405 (= M403), G423 (= G421)
binding magnesium ion: F370 (≠ Y367), D453 (≠ E451), M458 (= M456), Q461 (= Q459), N480 (= N478), H482 (≠ Y480), K533 (≠ V524)
binding N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide: M266 (= M262), R292 (= R288), M485 (= M483), W489 (= W487), S568 (≠ G560)

5wj1A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a triazolopyrimidine herbicide, penoxsulam (see paper)
44% identity, 96% coverage: 3:568/587 of query aligns to 9:576/582 of 5wj1A

query
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active site: Y33 (= Y27), G35 (= G29), G36 (= G30), A37 (= A31), S38 (≠ V32), E59 (= E53), T82 (= T76), F121 (= F115), Q122 (= Q116), E123 (= E117), K171 (= K165), M266 (= M262), V293 (= V289), V400 (= V398), G426 (= G424), M428 (= M426), D453 (≠ E451), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), M485 (= M483), V486 (= V484), W489 (= W487), H558 (≠ P550)
binding flavin-adenine dinucleotide: R161 (= R155), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T242), L247 (= L243), M248 (= M244), M263 (= M259), L264 (= L260), G286 (= G282), R288 (= R284), V293 (= V289), D310 (= D306), I311 (= I307), D329 (= D325), V330 (≠ C326), M405 (= M403), G423 (= G421), G424 (= G422)
binding magnesium ion: D453 (≠ E451), N480 (= N478), H482 (≠ Y480)
binding 2-(2,2-difluoroethoxy)-N-(5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-6-(trifluoromethyl)benzenesulfonamide: M266 (= M262), D291 (= D287), R292 (= R288), M485 (= M483), W489 (= W487), S568 (≠ G560)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V398), G401 (= G399), Q402 (= Q400), H403 (= H401), M428 (= M426), D453 (≠ E451), G454 (≠ A452), S455 (= S453), M458 (= M456), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), G484 (= G482), M485 (= M483), V486 (= V484)

5k6tA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, propoxycarbazone-sodium (see paper)
44% identity, 96% coverage: 3:568/587 of query aligns to 9:576/582 of 5k6tA

query
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I

I

P

P

G
x
S

G

G

K

G

A

T

H

F

N

N

E

D

I

V

L

I

active site: Y33 (= Y27), G35 (= G29), G36 (= G30), A37 (= A31), S38 (≠ V32), E59 (= E53), T82 (= T76), F121 (= F115), Q122 (= Q116), E123 (= E117), K171 (= K165), M266 (= M262), V293 (= V289), V400 (= V398), G426 (= G424), M428 (= M426), D453 (≠ E451), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), M485 (= M483), V486 (= V484), W489 (= W487), H558 (≠ P550)
binding methyl 2-[(4-methyl-5-oxidanylidene-3-propoxy-1,2,4-triazol-1-yl)carbonylsulfamoyl]benzoate: H267 (= H263), R292 (= R288), M485 (= M483), W489 (= W487), S568 (≠ G560)
binding flavin-adenine dinucleotide: R161 (= R155), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T242), L247 (= L243), M248 (= M244), L264 (= L260), G286 (= G282), R288 (= R284), D290 (= D286), R292 (= R288), V293 (= V289), D310 (= D306), I311 (= I307), D329 (= D325), V330 (≠ C326), Q404 (= Q402), M405 (= M403), G423 (= G421)
binding magnesium ion: D453 (≠ E451), N480 (= N478), H482 (≠ Y480)
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 (= V398), G401 (= G399), Q402 (= Q400), H403 (= H401), G426 (= G424), M428 (= M426), G452 (= G450), G454 (≠ A452), S455 (= S453), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), G484 (= G482)

5k6rA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, thiencarbazone-methyl (see paper)
44% identity, 96% coverage: 3:568/587 of query aligns to 9:576/582 of 5k6rA

query
sites
5k6rA

E

D

Q

Q

K

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A

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I

I

I

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I

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A

A

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A

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G

E

I

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H

H

N

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I

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-

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A

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x
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I

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Y

E

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N

A

L

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P

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V

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K

I

V

F

L

I

L

L

L

N

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N
|
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Q

Y
x
H

M
x
L

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G

M
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M

V
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V

R

M

Q

Q

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W

Q

E

E

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L

R

L

F

H

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G

K

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A

R

N

Y

R

S

A

Q

H

S

T

Y

F

-

L

-

G

-

D

-

P

-

A

-

Q

-

E

S

D

E

E

A

I

L

F

P

P

D

N

F

M

V

L

K

L

L

F

A

A

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A

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A

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C

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G

C

I

V

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G

A

L

A

R

R

A

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T

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V

K

A

A

E

D

V

L

D

R

E

E

V

A

I

I

E

Q

K

T

M

M

L

L

A

D

V

-

T

T

D

P

R

G

P

P

C

Y

I

L

D

D

I

V

A

I

V

C

D

P

P
x
H

K

Q

E

E

N

H

C

V

F

L

P

P

M

M

I

I

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P

G
x
S

G

G

K

G

A

T

H

F

N

N

E

D

I

V

L

I

active site: Y33 (= Y27), G35 (= G29), G36 (= G30), A37 (= A31), S38 (≠ V32), E59 (= E53), T82 (= T76), F121 (= F115), Q122 (= Q116), E123 (= E117), K171 (= K165), M266 (= M262), V293 (= V289), V400 (= V398), G426 (= G424), M428 (= M426), D453 (≠ E451), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), M485 (= M483), V486 (= V484), W489 (= W487), H558 (≠ P550)
binding methyl 4-[(3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonylsulfamoyl]-5-methyl-thiophene-3-carboxylate: R292 (= R288), W489 (= W487), S568 (≠ G560)
binding flavin-adenine dinucleotide: R161 (= R155), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T242), L247 (= L243), M248 (= M244), L264 (= L260), M266 (= M262), G286 (= G282), R288 (= R284), R292 (= R288), V293 (= V289), D310 (= D306), I311 (= I307), G328 (= G324), D329 (= D325), V330 (≠ C326), M405 (= M403), G423 (= G421)
binding magnesium ion: D453 (≠ E451), N480 (= N478), H482 (≠ Y480)
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 (= V398), G401 (= G399), Q402 (= Q400), H403 (= H401), G426 (= G424), M428 (= M426), D453 (≠ E451), G454 (≠ A452), S455 (= S453), M458 (= M456), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), G484 (= G482), M485 (= M483), V486 (= V484)

1z8nA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with an imidazolinone herbicide, imazaquin (see paper)
44% identity, 96% coverage: 3:568/587 of query aligns to 9:576/582 of 1z8nA

query
sites
1z8nA

E

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A

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E

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Q

A

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A

A

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E

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G

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Y

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G

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C

L

I

V

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T

S

S

G

G

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P

G

G

A

A

T

T

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N

A

L

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G

G

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A

A

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E

I

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K

H

H

N

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D

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N

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R

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K

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E

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M

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L

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active site: Y33 (= Y27), G35 (= G29), G36 (= G30), A37 (= A31), S38 (≠ V32), E59 (= E53), T82 (= T76), F121 (= F115), Q122 (= Q116), E123 (= E117), K171 (= K165), M266 (= M262), V293 (= V289), V400 (= V398), G426 (= G424), M428 (= M426), D453 (≠ E451), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), M485 (= M483), V486 (= V484), W489 (= W487), H558 (≠ P550)
binding 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1h-imidazol-2-yl)quinoline-3-carboxylic acid: K135 (= K129), R161 (= R155), Y191 (≠ K183), R194 (= R186), D291 (= D287), R292 (= R288), D312 (= D308), W489 (= W487), G569 (= G561)
binding flavin-adenine dinucleotide: R161 (= R155), G222 (= G214), G224 (= G216), T246 (= T242), L247 (= L243), M248 (= M244), L264 (= L260), G265 (= G261), M266 (= M262), H267 (= H263), G286 (= G282), V287 (≠ A283), R288 (= R284), D290 (= D286), R292 (= R288), V293 (= V289), D310 (= D306), I311 (= I307), D329 (= D325), V330 (≠ C326), M405 (= M403), G423 (= G421), G424 (= G422)
binding magnesium ion: D453 (≠ E451), N480 (= N478)
binding thiamine diphosphate: V400 (= V398), G401 (= G399), Q402 (= Q400), H403 (= H401), G426 (= G424), M428 (= M426), G452 (= G450), G454 (≠ A452), S455 (= S453), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), G484 (= G482), M485 (= M483), V486 (= V484)

1yi1A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl (see paper)
44% identity, 96% coverage: 3:568/587 of query aligns to 9:576/582 of 1yi1A

query
sites
1yi1A

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active site: Y33 (= Y27), G35 (= G29), G36 (= G30), A37 (= A31), S38 (≠ V32), E59 (= E53), T82 (= T76), F121 (= F115), Q122 (= Q116), E123 (= E117), K171 (= K165), M266 (= M262), V293 (= V289), V400 (= V398), G426 (= G424), M428 (= M426), D453 (≠ E451), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), M485 (= M483), V486 (= V484), W489 (= W487), H558 (≠ P550)
binding methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate: D291 (= D287), R292 (= R288), W489 (= W487), S568 (≠ G560)
binding flavin-adenine dinucleotide: R161 (= R155), G223 (= G215), G224 (= G216), T246 (= T242), L247 (= L243), M248 (= M244), M263 (= M259), L264 (= L260), G265 (= G261), M266 (= M262), H267 (= H263), G286 (= G282), V287 (≠ A283), R288 (= R284), D290 (= D286), V293 (= V289), D310 (= D306), I311 (= I307), D329 (= D325), V330 (≠ C326), M405 (= M403), G423 (= G421), G424 (= G422)
binding magnesium ion: D453 (≠ E451), N480 (= N478), H482 (≠ Y480)

1yi0A Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, sulfometuron methyl (see paper)
44% identity, 96% coverage: 3:568/587 of query aligns to 9:576/582 of 1yi0A

query
sites
1yi0A

E

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T

D

P

R

G

P

P

C

Y

I

L

D

D

I

V

A

I

V

C

D

P

P
x
H

K

Q

E

E

N

H

C

V

F

L

P

P

M

M

I

I

P

P

G
x
S

G

G

K

G

A

T

H

F

N

N

E

D

I

V

L

I

active site: Y33 (= Y27), G35 (= G29), G36 (= G30), A37 (= A31), S38 (≠ V32), E59 (= E53), T82 (= T76), F121 (= F115), Q122 (= Q116), E123 (= E117), K171 (= K165), M266 (= M262), V293 (= V289), V400 (= V398), G426 (= G424), M428 (= M426), D453 (≠ E451), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), M485 (= M483), V486 (= V484), W489 (= W487), H558 (≠ P550)
binding methyl 2-[({[(4,6-dimethylpyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D291 (= D287), R292 (= R288), W489 (= W487), S568 (≠ G560)
binding flavin-adenine dinucleotide: R161 (= R155), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T242), L247 (= L243), M248 (= M244), L264 (= L260), G265 (= G261), M266 (= M262), H267 (= H263), G286 (= G282), V287 (≠ A283), R288 (= R284), D290 (= D286), R292 (= R288), V293 (= V289), D310 (= D306), I311 (= I307), G328 (= G324), D329 (= D325), V330 (≠ C326), M405 (= M403), G423 (= G421), G424 (= G422)
binding magnesium ion: D453 (≠ E451), N480 (= N478), H482 (≠ Y480)

1yhzA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron (see paper)
44% identity, 96% coverage: 3:568/587 of query aligns to 9:576/582 of 1yhzA

query
sites
1yhzA

E

D

Q

Q

K

P

L

R

T

K

G

G

A

A

Q

D

I

I

I

L

I

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G

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|
Y

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|
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|
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|
E

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G

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Y

Y

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G

K

K

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G

G

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L

I

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|
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G

G

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P

G

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A

A

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N

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L

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G

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L

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A

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L

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G

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M

H
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H

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Y

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N

N

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|
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|
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M

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N

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D

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V

L

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active site: Y33 (= Y27), G35 (= G29), G36 (= G30), A37 (= A31), S38 (≠ V32), E59 (= E53), T82 (= T76), F121 (= F115), Q122 (= Q116), E123 (= E117), K171 (= K165), M266 (= M262), V293 (= V289), V400 (= V398), G426 (= G424), M428 (= M426), D453 (≠ E451), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), M485 (= M483), V486 (= V484), W489 (= W487), H558 (≠ P550)
binding 1-(2-chlorophenylsulfonyl)-3-(4-methoxy-6-methyl-l,3,5-triazin-2-yl)urea: D291 (= D287), R292 (= R288), M485 (= M483), W489 (= W487), S568 (≠ G560)
binding flavin-adenine dinucleotide: R161 (= R155), G223 (= G215), G224 (= G216), T246 (= T242), L247 (= L243), M248 (= M244), L264 (= L260), M266 (= M262), H267 (= H263), G286 (= G282), V287 (≠ A283), R288 (= R284), D290 (= D286), V293 (= V289), D310 (= D306), I311 (= I307), D329 (= D325), V330 (≠ C326), Q404 (= Q402), M405 (= M403), G423 (= G421), G424 (= G422)
binding magnesium ion: D453 (≠ E451), N480 (= N478), H482 (≠ Y480)

1yhyA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide, metsulfuron methyl (see paper)
44% identity, 96% coverage: 3:568/587 of query aligns to 9:576/582 of 1yhyA

query
sites
1yhyA

E

D

Q

Q

K

P

L

R

T

K

G

G

A

A

Q

D

I

I

I

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I

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A

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L

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|
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|
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A
|
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|
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|
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L

I

active site: Y33 (= Y27), G35 (= G29), G36 (= G30), A37 (= A31), S38 (≠ V32), E59 (= E53), T82 (= T76), F121 (= F115), Q122 (= Q116), E123 (= E117), K171 (= K165), M266 (= M262), V293 (= V289), V400 (= V398), G426 (= G424), M428 (= M426), D453 (≠ E451), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), M485 (= M483), V486 (= V484), W489 (= W487), H558 (≠ P550)
binding methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: D291 (= D287), R292 (= R288), V486 (= V484), W489 (= W487), S568 (≠ G560)
binding flavin-adenine dinucleotide: R161 (= R155), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T242), L247 (= L243), M248 (= M244), L264 (= L260), G265 (= G261), M266 (= M262), H267 (= H263), G286 (= G282), V287 (≠ A283), R288 (= R284), D290 (= D286), V293 (= V289), D310 (= D306), I311 (= I307), D329 (= D325), V330 (≠ C326), Q404 (= Q402), M405 (= M403), G423 (= G421), G424 (= G422)
binding magnesium ion: D453 (≠ E451), N480 (= N478), H482 (≠ Y480)

1ybhA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylurea herbicide chlorimuron ethyl (see paper)
44% identity, 96% coverage: 3:568/587 of query aligns to 9:576/582 of 1ybhA

query
sites
1ybhA

E

D

Q

Q

K

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A

A

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Y

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H

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E

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Y

Y

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A

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I

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C

L

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T

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G

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G

A

A

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T

N

N

A

L

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G

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A

A

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C

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R

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G

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N

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T

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H

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x
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A

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M

I

I

P

P

G
x
S

G

G

K

G

A

T

H

F

N

N

E

D

I

V

L

I

active site: Y33 (= Y27), G35 (= G29), G36 (= G30), A37 (= A31), S38 (≠ V32), E59 (= E53), T82 (= T76), F121 (= F115), Q122 (= Q116), E123 (= E117), K171 (= K165), M266 (= M262), V293 (= V289), V400 (= V398), G426 (= G424), M428 (= M426), D453 (≠ E451), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), M485 (= M483), V486 (= V484), W489 (= W487), H558 (≠ P550)
binding 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester: M266 (= M262), D291 (= D287), R292 (= R288), M485 (= M483), W489 (= W487), S568 (≠ G560)
binding flavin-adenine dinucleotide: R161 (= R155), G223 (= G215), G224 (= G216), T246 (= T242), L247 (= L243), M248 (= M244), L264 (= L260), M266 (= M262), H267 (= H263), G286 (= G282), V287 (≠ A283), R288 (= R284), D290 (= D286), V293 (= V289), D310 (= D306), I311 (= I307), D329 (= D325), V330 (≠ C326), Q404 (= Q402), M405 (= M403), G423 (= G421), G424 (= G422)
binding magnesium ion: D453 (≠ E451), N480 (= N478), H482 (≠ Y480)

5k3sA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, bispyribac-sodium (see paper)
44% identity, 96% coverage: 3:568/587 of query aligns to 9:576/583 of 5k3sA

query
sites
5k3sA

E

D

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Q

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A

Q

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I

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A

A

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L

K

E

D

R

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Q

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G

V

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E

I

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F

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A

Y
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Y

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P

G
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G

A
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A

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x
S

L

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P

E

I

I

Y

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D

Q

A

A

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S

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H

E
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E

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Q

A

G

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A

A

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E

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Y

Y

A

A

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R

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S

G

G

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G

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C

L

I

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T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

A

L

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G

G

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D

A

A

L

L

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L

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S

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I

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G

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D

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A

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E

A

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D

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T

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G

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I

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I

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K

H

H

N

N

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Y

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N

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R

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K

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L

I

active site: Y33 (= Y27), G35 (= G29), G36 (= G30), A37 (= A31), S38 (≠ V32), E59 (= E53), T82 (= T76), F121 (= F115), Q122 (= Q116), E123 (= E117), K171 (= K165), M266 (= M262), V293 (= V289), V400 (= V398), G426 (= G424), M428 (= M426), D453 (≠ E451), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), M485 (= M483), V486 (= V484), W489 (= W487), H558 (≠ P550)
binding 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid: R292 (= R288), M485 (= M483), W489 (= W487), G569 (= G561)
binding flavin-adenine dinucleotide: R161 (= R155), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T242), L247 (= L243), M248 (= M244), L264 (= L260), M266 (= M262), G286 (= G282), R288 (= R284), D290 (= D286), V293 (= V289), D310 (= D306), I311 (= I307), D329 (= D325), V330 (≠ C326), M405 (= M403), G423 (= G421)
binding magnesium ion: D453 (≠ E451), N480 (= N478), H482 (≠ Y480)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V398), G401 (= G399), Q402 (= Q400), H403 (= H401), G426 (= G424), M428 (= M426), D453 (≠ E451), G454 (≠ A452), S455 (= S453), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), G484 (= G482), M485 (= M483), V486 (= V484)

5k2oA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase in complex with a pyrimidinyl-benzoate herbicide, pyrithiobac (see paper)
44% identity, 96% coverage: 3:568/587 of query aligns to 9:576/585 of 5k2oA

query
sites
5k2oA

E

D

Q

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x
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T

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K

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-

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-

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-

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-

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N

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M

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L

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T

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D

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x
H

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P

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M

M

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x
S

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N

N

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L

I

active site: Y33 (= Y27), G35 (= G29), G36 (= G30), A37 (= A31), S38 (≠ V32), E59 (= E53), T82 (= T76), F121 (= F115), Q122 (= Q116), E123 (= E117), K171 (= K165), M266 (= M262), V293 (= V289), V400 (= V398), G426 (= G424), M428 (= M426), D453 (≠ E451), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), M485 (= M483), V486 (= V484), W489 (= W487), H558 (≠ P550)
binding 2-chloranyl-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic acid: M266 (= M262), R292 (= R288), W489 (= W487), S568 (≠ G560)
binding flavin-adenine dinucleotide: R161 (= R155), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T242), L247 (= L243), M248 (= M244), L264 (= L260), G286 (= G282), R288 (= R284), D290 (= D286), V293 (= V289), D310 (= D306), I311 (= I307), D329 (= D325), V330 (≠ C326), Q404 (= Q402), M405 (= M403), G423 (= G421)
binding magnesium ion: D453 (≠ E451), N480 (= N478), H482 (≠ Y480)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V400 (= V398), G401 (= G399), Q402 (= Q400), H403 (= H401), M428 (= M426), D453 (≠ E451), G454 (≠ A452), S455 (= S453), N480 (= N478), H482 (≠ Y480), L483 (≠ M481), G484 (= G482), M485 (= M483), V486 (= V484)

3ea4A Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron-ester (see paper)
44% identity, 96% coverage: 3:568/587 of query aligns to 8:575/582 of 3ea4A

query
sites
3ea4A

E

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E
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E

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A

A

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G

Y

Y

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A

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L

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T

S

S

G

G

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P

G

G

A

A

T

T

N

N

A

L

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G

G

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L

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D

A

A

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L

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M

I

I

P

P

G
x
S

G

G

K

G

A

T

H

F

N

N

E

D

I

V

L

I

active site: Y32 (= Y27), G34 (= G29), G35 (= G30), A36 (= A31), S37 (≠ V32), E58 (= E53), T81 (= T76), F120 (= F115), Q121 (= Q116), E122 (= E117), K170 (= K165), M265 (= M262), V292 (= V289), V399 (= V398), G425 (= G424), M427 (= M426), D452 (≠ E451), N479 (= N478), H481 (≠ Y480), L482 (≠ M481), M484 (= M483), V485 (= V484), W488 (= W487), H557 (≠ P550)
binding methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate: D290 (= D287), R291 (= R288), W488 (= W487), S567 (≠ G560)
binding flavin-adenine dinucleotide-n5-isobutyl ketone: R160 (= R155), G221 (= G214), G222 (= G215), G223 (= G216), T245 (= T242), L246 (= L243), M247 (= M244), L263 (= L260), G264 (= G261), M265 (= M262), H266 (= H263), G285 (= G282), R287 (= R284), D289 (= D286), R291 (= R288), D309 (= D306), I310 (= I307), G327 (= G324), D328 (= D325), V329 (≠ C326), M404 (= M403), G422 (= G421)
binding magnesium ion: D452 (≠ E451), N479 (= N478), H481 (≠ Y480)
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 (= V398), G400 (= G399), Q401 (= Q400), H402 (= H401), M427 (= M426), G451 (= G450), D452 (≠ E451), G453 (≠ A452), S454 (= S453), N479 (= N478), H481 (≠ Y480), L482 (≠ M481), G483 (= G482), M484 (= M483), V485 (= V484)

3e9yA Arabidopsis thaliana acetohydroxyacid synthase in complex with monosulfuron (see paper)
44% identity, 96% coverage: 3:568/587 of query aligns to 8:575/582 of 3e9yA

query
sites
3e9yA

E

D

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-

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-

A

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E

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P

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N

F

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H

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P

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M

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x
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active site: Y32 (= Y27), G34 (= G29), G35 (= G30), A36 (= A31), S37 (≠ V32), E58 (= E53), T81 (= T76), F120 (= F115), Q121 (= Q116), E122 (= E117), K170 (= K165), M265 (= M262), V292 (= V289), V399 (= V398), G425 (= G424), M427 (= M426), D452 (≠ E451), N479 (= N478), H481 (≠ Y480), L482 (≠ M481), M484 (= M483), V485 (= V484), W488 (= W487), H557 (≠ P550)
binding N-[(4-methylpyrimidin-2-yl)carbamoyl]-2-nitrobenzenesulfonamide: D290 (= D287), R291 (= R288), W488 (= W487), S567 (≠ G560)
binding flavin-adenine dinucleotide-n5-isobutyl ketone: R160 (= R155), G221 (= G214), G222 (= G215), G223 (= G216), T245 (= T242), L246 (= L243), M247 (= M244), L263 (= L260), G285 (= G282), R287 (= R284), D289 (= D286), R291 (= R288), D309 (= D306), I310 (= I307), G327 (= G324), D328 (= D325), V329 (≠ C326), M404 (= M403), G422 (= G421)
binding magnesium ion: D452 (≠ E451), N479 (= N478), H481 (≠ Y480)
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 (= V398), G400 (= G399), Q401 (= Q400), H402 (= H401), M427 (= M426), G451 (= G450), G453 (≠ A452), S454 (= S453), N479 (= N478), H481 (≠ Y480), L482 (≠ M481), G483 (= G482), M484 (= M483), V485 (= V484)

7tzzA Crystal structure of arabidopsis thaliana acetohydroxyacid synthase p197t mutant in complex with bispyribac-sodium (see paper)
44% identity, 96% coverage: 3:568/587 of query aligns to 9:576/582 of 7tzzA

query
sites
7tzzA

E

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P

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G

A

A

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T

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N

A

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G

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A

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-

T

T

D

P

R

G

P

P

C

Y

I

L

D

D

I

V

A

I

V

C

D

P

P

H

K

Q

E

E

N

H

C

V

F

L

P

P

M

M

I

I

P

P

G
x
S

G

G

K

G

A

T

H

F

N

N

E

D

I

V

L

I

binding 2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid: M266 (= M262), R292 (= R288), W489 (= W487), S568 (≠ G560)
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 (= V398), G401 (= G399), Q402 (= Q400), H403 (= H401), G426 (= G424), M428 (= M426), G452 (= G450), D453 (≠ E451), G454 (≠ A452), S455 (= S453), L483 (≠ M481), G484 (= G482), M485 (= M483), V486 (= V484)
binding flavin-adenine dinucleotide: R161 (= R155), G222 (= G214), G223 (= G215), G224 (= G216), T246 (= T242), L247 (= L243), M248 (= M244), M263 (= M259), L264 (= L260), M266 (= M262), H267 (= H263), G286 (= G282), R288 (= R284), V293 (= V289), D310 (= D306), I311 (= I307), D329 (= D325), V330 (≠ C326), M405 (= M403), G423 (= G421)
binding magnesium ion: A37 (= A31), T82 (= T76), S83 (= S77), Q122 (= Q116), Y381 (= Y378), D453 (≠ E451), M458 (= M456), Q461 (= Q459), N480 (= N478), H482 (≠ Y480), K533 (≠ V524)

1t9dA Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, metsulfuron methyl (see paper)
45% identity, 97% coverage: 6:572/587 of query aligns to 8:579/596 of 1t9dA

query
sites
1t9dA

L

L

T

T

G

G

A

G

Q

Q

I

I

I

F

I

N

K

E

A

M

L

M

K

S

D

R

Q

Q

G

N

V

V

D

D

I

T

I

V

F

F

G

G

Y
|
Y

P

P

G
|
G

A
|
A

V
x
I

L

L

P

P

I

V

Y

Y

D

D

A

A

L

I

F

H

Q

N

Q

S

N

D

D

K

L

F

K

N

H

F

V

V

L

L

V

P

R

K

H

H

E
|
E

Q

Q

A

G

A

A

V

G

H

H

A

M

A

A

E

E

G

G

Y

Y

A

A

R

R

S

A

T

S

G

G

K

K

V

P

G

G

C

V

V

V

L

L

V

V

T
|
T

S

S

G

G

P
|
P

G

G

A

A

T

T

N

N

A

V

V

V

T

T

G

P

L

M

L

A

D

D

A

A

L

F

C

A

D

D

S

G

I

I

P

P

I

M

V

V

C

V

L

F

S

T

G

G

Q

Q

V
|
V

P
|
P

T

T

H

S

L

A

I

I

G

G

N

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

A

A

D

D

T

V

G

G

I

I

T

S

R

R

P

S

C

C

T

T

K

K

H

W

N

N

Y

V

L

M

V

V

K

K

D

S

V

V

D

E

N

E

L

L

A

P

R

L

T

R

L

I

H

N

E

E

A

A

F

F

Y

E

V

I

A

A

R

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

I

V

D

D

V

L

P

P

K
|
K

D

D

V

V

Q

T

F

A

A

A

D

I

G

L

T

R

Y

N

V

P

P

I

P

P

A

T

E

K

V

T

K

T

H

L

K

P

T

T

Y

S

R

R

P

A

Q

Q

V

D

K

E

P

F

E

V

I

M

A

Q

R

S

V

I

E

N

E

K

A

A

V

A

E

D

L

L

I

I

A

N

N

L

A

A

K

K

R

K

P

P

V

V

F

L

Y

Y

T

V

G
|
G

G
x
A

G
|
G

V

I

I

L

N
|
N

A

H

-

A

-

D

G

G

P

P

F

-

A

-

K
x
R

L

L

T

K

Q

E

F

L

V

S

K

D

A

R

T

A

G

Q

Y

I

P

P

I

V

T

T

S

T

T
|
T

L
|
L

M
x
Q

G

G

L

L

G

G

A

S

F

F

P

D

A

Q

S

E

E

D

S

P

Q

K

W

S

L

L

G

D

M
|
M

L
|
L

G

G

M
|
M

H
|
H

G

G

T

C

Y

A

E

T

A

A

N

N

L

L

A

A

M

V

Y

Q

E

N

C

A

D

D

V

L

M

I

I

I

N

A

I

V

G
|
G

A
|
A

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

G

G

K

N

L

I

S

S

A

K

F

F

S

A

P

P

G

E

S

A

K

R

-

A

-

E

-

G

-

R

-

G

-

I

I

I

H

H

V

F

D
x
E

I
x
V

D

S

P

P

S

K

S
x
N

I

I

N

N

K

K

N

V

V

V

A

Q

V

T

D

Q

I

I

P

A

I

V

V

E

G
|
G

D
|
D

C
x
A

G

T

A

T

V

N

L

L

E

G

D

K

M

M

L

M

-

S

R

K

I

I

W

F

K

P

A

V

R

K

A

E

K

R

S

S

P

E

D

-

K

-

A

-

L

-

K

-

G

-

W

W

W

F

S

A

K

Q

I

I

E

N

G

K

W

W

R

K

A

K

R

E

N

Y

C

P

L

Y

N

A

Y

Y

N

M

R

E

T

E

E

T

-

P

-

G

S

S

V

K

I

I

K

K

P

P

Q

Q

Y

T

A

V

L

I

E

K

R

K

L

L

R

S

E

K

A

V

L

A

R

N

-

D

-

T

G

G

K

R

D

H

H

V

Y

I

I

V

T

T

E

G

V
|
V

G

G

Q

Q

H

H

Q
|
Q

M
|
M

W

W

A

A

Q

Q

F

H

L

W

P

T

F

W

D

R

Q

N

P

P

N

H

R

T

W

F

M

I

T

T

S

S

G
|
G

L
|
L

G
|
G

T

T

M
|
M

G

G

Y

Y

G

G

L

L

P

P

A

A

I

I

G

G

A

A

Q

Q

L

V

A

A

H

K

P

P

D

E

A

S

I

L

V

V

V

I

D

D

V

I

S

D

G

G

E
x
D

A

A

S

S

F

F

L

N

M
|
M

N

T

M

L

Q

T

E

E

I

L

G

S

T

S

A

A

V

V

Q

Q

Y

A

R

G

A

T

P

P

V

V

K

K

I

I

F

L

I

I

L

L

N

N

N
|
N

Q

E

Y
x
E

M
x
Q

G

G

M
|
M

V
|
V

R

T

Q

Q

W
|
W

Q

Q

E

S

L

L

L

F

H

Y

G

E

S

H

R

R

Y

Y

S

S

Q

H

S

T

Y

H

S

-

E

Q

A

L

L

N

P

P

D

D

F

F

V

I

K

K

L
|
L

A

A

E

E

S

A

W

M

G
|
G

C
x
L

V

K

G

G

L

L

R

R

A

V

T

K

V

Q

A

E

E

E

V

L

D

D

E

A

V

K

I

L

E

K

K

E

M

F

L

V

A

S

V

-

T

T

D

K

R

G

P

P

C

V

I

L

D

E

I

V

A

E

V

V

D

D

P
x
K

K

K

E

V

N

P

C

V

F

L

P

P

M

M

I

V

P

A

G

G

K

S

A

G

H

L

N

D

E

E

I

F

L

I

-

N

F

F

G

D

P

P

E

E

active site: Y29 (= Y27), G31 (= G29), G32 (= G30), A33 (= A31), I34 (≠ V32), E55 (= E53), T78 (= T76), F117 (= F115), Q118 (= Q116), E119 (= E117), K167 (= K165), R227 (≠ K226), M263 (= M262), V290 (= V289), V406 (= V398), L431 (= L423), G432 (= G424), M434 (= M426), D459 (≠ E451), N486 (= N478), E488 (≠ Y480), Q489 (≠ M481), M491 (= M483), V492 (= V484), W495 (= W487), L517 (= L510), G522 (= G515), L523 (≠ C516), K556 (≠ P550)
binding methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]benzoate: G32 (= G30), A33 (= A31), V107 (= V105), P108 (= P106), F117 (= F115), K167 (= K165), M263 (= M262), D288 (= D287), R289 (= R288), W495 (= W487)
binding flavin-adenine dinucleotide: R157 (= R155), G216 (= G214), A217 (≠ G215), G218 (= G216), N221 (= N219), T243 (= T242), L244 (= L243), Q245 (≠ M244), M260 (= M259), L261 (= L260), H264 (= H263), G283 (= G282), A284 (= A283), R285 (= R284), D287 (= D286), R289 (= R288), V290 (= V289), E316 (≠ D306), V317 (≠ I307), N321 (≠ S311), G334 (= G324), D335 (= D325), A336 (≠ C326), Q410 (= Q402), M411 (= M403), G429 (= G421), G430 (= G422)
binding magnesium ion: D459 (≠ E451), N486 (= N478), E488 (≠ Y480)
binding 2,5-dimethyl-pyrimidin-4-ylamine: E55 (= E53), P81 (= P79), Q118 (= Q116), G432 (= G424), M434 (= M426), M464 (= M456)

1t9aA Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl (see paper)
45% identity, 97% coverage: 6:572/587 of query aligns to 9:580/597 of 1t9aA

query
sites
1t9aA

L

L

T

T

G

G

A

G

Q

Q

I

I

I

F

I

N

K

E

A

M

L

M

K

S

D

R

Q

Q

G

N

V

V

D

D

I

T

I

V

F

F

G

G

Y
|
Y

P

P

G
|
G

A
|
A

V
x
I

L

L

P

P

I

V

Y

Y

D

D

A

A

L

I

F

H

Q

N

Q

S

N

D

D

K

L

F

K

N

H

F

V

V

L

L

V

P

R

K

H

H

E
|
E

Q

Q

A

G

A

A

V

G

H

H

A

M

A

A

E

E

G

G

Y

Y

A

A

R

R

S

A

T

S

G

G

K

K

V

P

G

G

C

V

V

V

L

L

V

V

T
|
T

S

S

G

G

P

P

G

G

A

A

T

T

N

N

A

V

V

V

T

T

G

P

L

M

L

A

D

D

A

A

L

F

C

A

D

D

S

G

I

I

P

P

I

M

V

V

C

V

L

F

S

T

G

G

Q

Q

V
|
V

P
|
P

T

T

H

S

L

A

I

I

G

G

N

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

A

A

D

D

T

V

G

G

I

I

T

S

R

R

P

S

C

C

T

T

K

K

H

W

N

N

Y

V

L

M

V

V

K

K

D

S

V

V

D

E

N

E

L

L

A

P

R

L

T

R

L

I

H

N

E

E

A

A

F

F

Y

E

V

I

A

A

R

T

S

S

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

I

V

D

D

V

L

P

P

K
|
K

D

D

V

V

Q

T

F

A

A

A

D

I

G

L

T

R

Y

N

V

P

P

I

P

P

A

T

E

K

V

T

K

T

H

L

K

P

T

T

Y

S

R

R

P

A

Q

Q

V

D

K

E

P

F

E

V

I

M

A

Q

R

S

V

I

E

N

E

K

A

A

V

A

E

D

L

L

I

I

A

N

N

L

A

A

K

K

R

K

P

P

V

V

F

L

Y

Y

T

V

G
|
G

G
x
A

G
|
G

V

I

I

L

N
|
N

A

H

-

A

-

D

G

G

P

P

F

-

A

-

K
x
R

L

L

T

K

Q

E

F

L

V

S

K

D

A

R

T

A

G

Q

Y

I

P

P

I

V

T

T

S

T

T
|
T

L
|
L

M
x
Q

G

G

L

L

G

G

A

S

F

F

P

D

A

Q

S

E

E

D

S

P

Q

K

W

S

L

L

G

D

M

M

L
|
L

G

G

M
|
M

H
|
H

G

G

T

C

Y

A

E

T

A

A

N

N

L

L

A

A

M

V

Y

Q

E

N

C

A

D

D

V

L

M

I

I

I

N

A

I

V

G
|
G

A
|
A

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

G

G

K

N

L

I

S

S

A

K

F

F

S

A

P

P

G

E

S

A

K

R

-

A

-

E

-

G

-

R

-

G

-

I

I

I

H

H

V

F

D
x
E

I
x
V

D

S

P

P

S

K

S
x
N

I

I

N

N

K

K

N

V

V

V

A

Q

V

T

D

Q

I

I

P

A

I

V

V

E

G
|
G

D
|
D

C
x
A

G

T

A

T

V

N

L

L

E

G

D

K

M

M

L

M

-

S

R

K

I

I

W

F

K

P

A

V

R

K

A

E

K

R

S

S

P

E

D

-

K

-

A

-

L

-

K

-

G

-

W

W

W

F

S

A

K

Q

I

I

E

N

G

K

W

W

R

K

A

K

R

E

N

Y

C

P

L

Y

N

A

Y

Y

N

M

R

E

T

E

E

T

-

P

-

G

S

S

V

K

I

I

K

K

P

P

Q

Q

Y

T

A

V

L

I

E

K

R

K

L

L

R

S

E

K

A

V

L

A

R

N

-

D

-

T

G

G

K

R

D

H

H

V

Y

I

I

V

T

T

E

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q
|
Q

M
|
M

W

W

A

A

Q

Q

F

H

L

W

P

T

F

W

D

R

Q

N

P

P

N

H

R

T

W

F

M

I

T

T

S

S

G
|
G

L
|
L

G
|
G

T

T

M
|
M

G

G

Y

Y

G

G

L

L

P

P

A

A

I

I

G

G

A

A

Q

Q

L

V

A

A

H

K

P

P

D

E

A

S

I

L

V

V

V

I

D

D

V

I

S

D

G
|
G

E
x
D

A
|
A

S
|
S

F

F

L

N

M
|
M

N

T

M

L

Q

T

E

E

I

L

G

S

T

S

A

A

V

V

Q

Q

Y

A

R

G

A

T

P

P

V

V

K

K

I

I

F

L

I

I

L

L

N

N

N
|
N

Q

E

Y
x
E

M
x
Q

G
|
G

M
|
M

V
|
V

R

T

Q

Q

W
|
W

Q

Q

E

S

L

L

L

F

H

Y

G

E

S

H

R

R

Y

Y

S

S

Q

H

S

T

Y

H

S

-

E

Q

A

L

L

N

P

P

D

D

F

F

V

I

K

K

L
|
L

A

A

E

E

S

A

W

M

G
|
G

C
x
L

V

K

G

G

L

L

R

R

A

V

T

K

V

Q

A

E

E

E

V

L

D

D

E

A

V

K

I

L

E

K

K

E

M

F

L

V

A

S

V

-

T

T

D

K

R

G

P

P

C

V

I

L

D

E

I

V

A

E

V

V

D

D

P
x
K

K

K

E

V

N

P

C

V

F

L

P

P

M

M

I

V

P

A

G

G

K

S

A

G

H

L

N

D

E

E

I

F

L

I

-

N

F

F

G

D

P

P

E

E

active site: Y30 (= Y27), G32 (= G29), G33 (= G30), A34 (= A31), I35 (≠ V32), E56 (= E53), T79 (= T76), F118 (= F115), Q119 (= Q116), E120 (= E117), K168 (= K165), R228 (≠ K226), M264 (= M262), V291 (= V289), V407 (= V398), L432 (= L423), G433 (= G424), M435 (= M426), D460 (≠ E451), N487 (= N478), E489 (≠ Y480), Q490 (≠ M481), M492 (= M483), V493 (= V484), W496 (= W487), L518 (= L510), G523 (= G515), L524 (≠ C516), K557 (≠ P550)
binding methyl 2-[4-methoxy-6-methyl-1,3,5-trazin-2-yl(methyl)carbamoylsulfamoyl]benzoate: G33 (= G30), V108 (= V105), P109 (= P106), F118 (= F115), K168 (= K165), M264 (= M262), D289 (= D287), R290 (= R288), M492 (= M483), V493 (= V484), W496 (= W487)
binding flavin-adenine dinucleotide: R158 (= R155), G217 (= G214), A218 (≠ G215), G219 (= G216), N222 (= N219), T244 (= T242), L245 (= L243), Q246 (≠ M244), L262 (= L260), M264 (= M262), H265 (= H263), G284 (= G282), A285 (= A283), R286 (= R284), D288 (= D286), R290 (= R288), V291 (= V289), E317 (≠ D306), V318 (≠ I307), N322 (≠ S311), G335 (= G324), D336 (= D325), A337 (≠ C326), Q411 (= Q402), M412 (= M403), G430 (= G421), G431 (= G422)
binding magnesium ion: D460 (≠ E451), N487 (= N478), E489 (≠ Y480)
binding propyl trihydrogen diphosphate: V407 (= V398), G408 (= G399), Q409 (= Q400), H410 (= H401), M435 (= M426), G459 (= G450), D460 (≠ E451), A461 (= A452), S462 (= S453), N487 (= N478), E489 (≠ Y480), Q490 (≠ M481), G491 (= G482), M492 (= M483)
binding 5-{[ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine: G433 (= G424), M435 (= M426), M465 (= M456)

6demA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide bensulfuron methyl (see paper)
44% identity, 96% coverage: 6:569/587 of query aligns to 12:576/597 of 6demA

query
sites
6demA

L

L

T

T

G

G

A

G

Q

E

I

I

I

F

I

H

K

E

A

M

L

M

K

L

D

R

Q

H

G

K

V

V

D

D

I

T

I

V

F

F

G

G

Y
|
Y

P

A

G
|
G

A
|
A

V
x
I

L

L

P

P

I

V

Y

F

D

D

A

A

L

I

F

Y

Q

N

Q

S

N

D

D

K

L

F

K

K

H

F

V

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

E

E

G

G

Y

Y

A

A

R

R

S

A

T

S

G

G

K

K

V

P

G

G

C

V

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

L

M

L

A

D

D

A

A

L

L

C

M

D

D

S

G

I

V

P

P

I

L

V

V

C

V

L

F

S

S

G

G

Q

Q

V

V

P

P

T

T

H

T

L

A

I

I

G

G

N

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

A

A

D

D

T

I

T

V

G

G

I

I

T

S

R

R

P

S

C

C

T

T

K

K

H

W

N

N

Y

V

L

M

V

V

K

K

D

N

V

V

D

A

N

E

L

L

A

P

R

R

T

R

L

I

H

N

E

E

A

A

F

F

Y

E

V

I

A

A

R

T

S

T

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

I

V

D

D

V

L

P

P

K
|
K

D

D

V

V

Q

T

F

A

A

S

D

-

G

-

T

-

Y

-

V

I

P

L

P

R

A

E

E

S

V

I

K

P

H

I

K

N

T

T

Y

T

R

L

P

P

Q

S

V

V

K

S

P

E

E

F

I

T

A

S

R

E

-

A

V

I

E

K

E

R

A

A

V

A

E

N

L

I

I

L

A

N

N

K

A

A

K

K

R

K

P

P

V

I

F

I

Y

Y

T

A

G
|
G

G
x
A

G
|
G

V

I

I

L

N
|
N

-

N

-

E

A

Q

G

G

P

P

F

-

A

-

K
|
K

L

L

T

K

Q

E

F

L

V

A

K

D

A

K

T

A

G

N

Y

I

P

P

I

V

T

T

S

T

T
|
T

L
|
L

M
x
Q

G

G

L

L

G

G

A

A

F

F

P

D

A

Q

S

R

E

D

S

P

Q

K

W

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

L

T

A

A

M

I

Y

Q

E

N

C

A

D

D

V

C

M

I

I

I

N

A

I

L

G
|
G

A
|
A

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

G

G

K

N

L

I

S

S

A

K

F

F

S

A

P

P

G

E

S

A

K

K

K

L

-

A

-

S

-

E

-

G

-

R

-

G

-

I

I

L

H

H

V

F

D
x
E

I
|
I

D

S

P

P

S

K

S
x
N

I

I

N

N

K

K

N

V

V

V

A

E

V

A

D

T

I

E

P

A

I

I

V

E

G

G

D
|
D

C
x
V

G

T

A

A

V

N

L

L

E

Q

D

S

M

F

L

I

R

P

I

L

W

V

K

D

A

S

R

I

A

E

K

N

S

R

P

P

D

E

K

-

A

-

L

-

K

-

G

-

W

W

W

F

S

N

K

K

I

I

E

N

G

E

W

W

R

K

A

K

R

K

N

Y

C

P

L

Y

N

S

Y

Y

N

Q

R

L

T

E

E

T

-

P

-

G

S

S

V

L

I

I

K

K

P

P

Q

Q

Y

T

A

L

L

I

E

K

R

E

L

I

R

S

E

D

A

Q

L

A

R

Q

-

T

-

Y

G

N

K

K

D

E

H

V

Y

I

I

V

T

T

E

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

W

W

A

A

Q

Q

F

H

L

F

P

T

F

W

D

T

Q

Q

P

P

N

R

R

T

W

M

M

I

T

T

S

S

G
|
G

G

G

L
|
L

G
|
G

T

T

M
|
M

G

G

Y

Y

G

G

L

L

P

P

A

A

I

I

G

G

A

A

Q

Q

L

V

A

A

H

K

P

P

D

D

A

A

I

I

V

V

V

I

D

D

V

I

S

D

G
|
G

E
x
D

A
|
A

S
|
S

F

F

L

N

M
|
M

N

T

M

L

Q

T

E

E

I

L

G

S

T

S

A

A

V

V

Q

Q

Y

A

R

G

A

A

P

P

V

I

K

K

I

V

F

C

I

V

L

L

N

N

N
|
N

Q

E

Y
x
E

M
x
Q

G
|
G

M
|
M

V
|
V

R

T

Q

Q

W
|
W

Q

Q

E

S

L

L

L

F

H

Y

G

E

S

H

R

R

Y

Y

S

S

Q

H

S

T

Y

H

S

-

E

Q

A

S

L

N

P

P

D

D

F

F

V

M

K

K

L
|
L

A

A

E

E

S

S

W

M

G
x
N

C
x
V

V

K

G

G

L

I

R

R

A

I

T

T

T

N

V

Q

A

Q

E

E

V

L

D

K

E

S

V

G

I

V

E

K

K

E

M

F

L

L

A

D

V

A

T

T

D

E

R

-

P

P

C

V

I

L

D

E

I

V

A

I

V

V

D

E

P

K

K

K

E

V

N

P

C

V

F

L

P

P

M

M

I

V

P

P

G
x
A

G

G

K

K

A

A

H

L

N

D

E

D

I

F

L

I

F

L

active site: Y33 (= Y27), G35 (= G29), G36 (= G30), A37 (= A31), I38 (≠ V32), E59 (= E53), T82 (= T76), F121 (= F115), Q122 (= Q116), E123 (= E117), K171 (= K165), K228 (= K226), M264 (= M262), V291 (= V289), V407 (= V398), L432 (= L423), G433 (= G424), M435 (= M426), D460 (≠ E451), N487 (= N478), E489 (≠ Y480), Q490 (≠ M481), M492 (= M483), V493 (= V484), W496 (= W487), L518 (= L510), N523 (≠ G515), V524 (≠ C516)
binding methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate: M264 (= M262), D289 (= D287), R290 (= R288), M492 (= M483), W496 (= W487), A567 (≠ G560)
binding flavin-adenine dinucleotide: R161 (= R155), G217 (= G214), A218 (≠ G215), G219 (= G216), N222 (= N219), T244 (= T242), L245 (= L243), Q246 (≠ M244), L262 (= L260), G284 (= G282), A285 (= A283), R286 (= R284), D288 (= D286), R290 (= R288), V291 (= V289), E317 (≠ D306), I318 (= I307), N322 (≠ S311), D336 (= D325), V337 (≠ C326), M412 (= M403), G430 (= G421)
binding magnesium ion: D460 (≠ E451), N487 (= N478), E489 (≠ Y480)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V407 (= V398), G408 (= G399), Q409 (= Q400), H410 (= H401), M435 (= M426), G459 (= G450), D460 (≠ E451), A461 (= A452), S462 (= S453), M465 (= M456), N487 (= N478), E489 (≠ Y480), Q490 (≠ M481), G491 (= G482), M492 (= M483), V493 (= V484)

6delA Crystal structure of candida albicans acetohydroxyacid synthase in complex with the herbicide chlorimuron ethyl (see paper)
44% identity, 96% coverage: 6:569/587 of query aligns to 12:576/597 of 6delA

query
sites
6delA

L

L

T

T

G

G

A

G

Q

E

I

I

I

F

I

H

K

E

A

M

L

M

K

L

D

R

Q

H

G

K

V

V

D

D

I

T

I

V

F

F

G

G

Y
|
Y

P

A

G
|
G

A
|
A

V
x
I

L

L

P

P

I

V

Y

F

D

D

A

A

L

I

F

Y

Q

N

Q

S

N

D

D

K

L

F

K

K

H

F

V

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

E

E

G

G

Y

Y

A

A

R

R

S

A

T

S

G

G

K

K

V

P

G

G

C

V

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

L

M

L

A

D

D

A

A

L

L

C

M

D

D

S

G

I

V

P

P

I

L

V

V

C

V

L

F

S

S

G

G

Q

Q

V

V

P

P

T

T

H

T

L

A

I

I

G

G

N

T

D

D

A

A

F
|
F

Q
|
Q

E
|
E

A

A

D

D

T

I

T

V

G

G

I

I

T

S

R

R

P

S

C

C

T

T

K

K

H

W

N

N

Y

V

L

M

V

V

K

K

D

N

V

V

D

A

N

E

L

L

A

P

R

R

T

R

L

I

H

N

E

E

A

A

F

F

Y

E

V

I

A

A

R

T

S

T

G

G

R
|
R

P

P

G

G

P

P

V

V

L

L

I

V

D

D

V

L

P

P

K
|
K

D

D

V

V

Q

T

F

A

A

S

D

-

G

-

T

-

Y

-

V

I

P

L

P

R

A

E

E

S

V

I

K

P

H

I

K

N

T

T

Y

T

R

L

P

P

Q

S

V

V

K

S

P

E

E

F

I

T

A

S

R

E

-

A

V

I

E

K

E

R

A

A

V

A

E

N

L

I

I

L

A

N

N

K

A

A

K

K

R

K

P

P

V

I

F

I

Y

Y

T

A

G
|
G

G
x
A

G
|
G

V

I

I

L

N
|
N

-

N

-

E

A

Q

G

G

P

P

F

-

A

-

K
|
K

L

L

T

K

Q

E

F

L

V

A

K

D

A

K

T

A

G

N

Y

I

P

P

I

V

T

T

S

T

T
|
T

L
|
L

M
x
Q

G

G

L

L

G

G

A

A

F

F

P

D

A

Q

S

R

E

D

S

P

Q

K

W

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

L

T

A

A

M

I

Y

Q

E

N

C

A

D

D

V

C

M

I

I

I

N

A

I

L

G
|
G

A
|
A

R
|
R

F

F

D
|
D

R
|
R

V
|
V

T

T

G

G

K

N

L

I

S

S

A

K

F

F

S

A

P

P

G

E

S

A

K

K

K

L

-

A

-

S

-

E

-

G

-

R

-

G

-

I

I

L

H

H

V

F

D
x
E

I
|
I

D

S

P

P

S

K

S
x
N

I

I

N

N

K

K

N

V

V

V

A

E

V

A

D

T

I

E

P

A

I

I

V

E

G

G

D
|
D

C
x
V

G

T

A

A

V

N

L

L

E

Q

D

S

M

F

L

I

R

P

I

L

W

V

K

D

A

S

R

I

A

E

K

N

S

R

P

P

D

E

K

-

A

-

L

-

K

-

G

-

W

W

W

F

S

N

K

K

I

I

E

N

G

E

W

W

R

K

A

K

R

K

N

Y

C

P

L

Y

N

S

Y

Y

N

Q

R

L

T

E

E

T

-

P

-

G

S

S

V

L

I

I

K

K

P

P

Q

Q

Y

T

A

L

L

I

E

K

R

E

L

I

R

S

E

D

A

Q

L

A

R

Q

-

T

-

Y

G

N

K

K

D

E

H

V

Y

I

I

V

T

T

E

G

V
|
V

G
|
G

Q
|
Q

H
|
H

Q

Q

M
|
M

W

W

A

A

Q

Q

F

H

L

F

P

T

F

W

D

T

Q

Q

P

P

N

R

R

T

W

M

M

I

T

T

S

S

G
|
G

G

G

L
|
L

G
|
G

T

T

M
|
M

G

G

Y

Y

G

G

L

L

P

P

A

A

I

I

G

G

A

A

Q

Q

L

V

A

A

H

K

P

P

D

D

A

A

I

I

V

V

V

I

D

D

V

I

S

D

G
|
G

E
x
D

A
|
A

S
|
S

F

F

L

N

M
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V

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Y

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G

A

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N

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active site: Y33 (= Y27), G35 (= G29), G36 (= G30), A37 (= A31), I38 (≠ V32), E59 (= E53), T82 (= T76), F121 (= F115), Q122 (= Q116), E123 (= E117), K171 (= K165), K228 (= K226), M264 (= M262), V291 (= V289), V407 (= V398), L432 (= L423), G433 (= G424), M435 (= M426), D460 (≠ E451), N487 (= N478), E489 (≠ Y480), Q490 (≠ M481), M492 (= M483), V493 (= V484), W496 (= W487), L518 (= L510), N523 (≠ G515), V524 (≠ C516)
binding 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acid ethyl ester: D289 (= D287), R290 (= R288), W496 (= W487)
binding flavin-adenine dinucleotide: R161 (= R155), G217 (= G214), A218 (≠ G215), G219 (= G216), N222 (= N219), T244 (= T242), L245 (= L243), Q246 (≠ M244), L262 (= L260), G284 (= G282), A285 (= A283), R286 (= R284), D288 (= D286), R290 (= R288), V291 (= V289), E317 (≠ D306), I318 (= I307), N322 (≠ S311), D336 (= D325), V337 (≠ C326), M412 (= M403), G430 (= G421)
binding (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate: V407 (= V398), G408 (= G399), Q409 (= Q400), H410 (= H401), G433 (= G424), M435 (= M426), G459 (= G450), D460 (≠ E451), A461 (= A452), S462 (= S453), M465 (= M456), N487 (= N478), E489 (≠ Y480), Q490 (≠ M481), G491 (= G482), M492 (= M483), V493 (= V484)
binding magnesium ion: D460 (≠ E451), N487 (= N478), E489 (≠ Y480)
binding (3z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl]amino}-3-mercaptopent-3-en-1-yl trihydrogen diphosphate: V407 (= V398), G408 (= G399), Q409 (= Q400), H410 (= H401), G433 (= G424), M435 (= M426), G459 (= G450), D460 (≠ E451), A461 (= A452), S462 (= S453), M465 (= M456), N487 (= N478), E489 (≠ Y480), Q490 (≠ M481), G491 (= G482), M492 (= M483), V493 (= V484)

Query Sequence

>WP_012974739.1 NCBI__GCF_000010725.1:WP_012974739.1
MSEQKLTGAQIIIKALKDQGVDIIFGYPGGAVLPIYDALFQQNDLKHVLVRHEQAAVHAA
EGYARSTGKVGCVLVTSGPGATNAVTGLLDALCDSIPIVCLSGQVPTHLIGNDAFQEADT
TGITRPCTKHNYLVKDVDNLARTLHEAFYVARSGRPGPVLIDVPKDVQFADGTYVPPAEV
KHKTYRPQVKPEIARVEEAVELIANAKRPVFYTGGGVINAGPFAAKLLTQFVKATGYPIT
STLMGLGAFPASESQWLGMLGMHGTYEANLAMYECDVMINIGARFDDRVTGKLSAFSPGS
KKIHVDIDPSSINKNVAVDIPIVGDCGAVLEDMLRIWKARAKSPDKAALKGWWSKIEGWR
ARNCLNYNRTESVIKPQYALERLREALRGKDHYITTEVGQHQMWAAQFLPFDQPNRWMTS
GGLGTMGYGLPAAIGAQLAHPDAIVVDVSGEASFLMNMQEIGTAVQYRAPVKIFILNNQY
MGMVRQWQELLHGSRYSQSYSEALPDFVKLAESWGCVGLRATTVAEVDEVIEKMLAVTDR
PCIIDIAVDPKENCFPMIPGGKAHNEILFGPEDSPSDATPEDGMVLV

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