SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_073040954.1 NCBI__GCF_900129305.1:WP_073040954.1 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)

C8WR67 Ketol-acid reductoisomerase (NADP(+)); KARI; Acetohydroxy-acid isomeroreductase; AHIR; Alpha-keto-beta-hydroxylacyl reductoisomerase; Ketol-acid reductoisomerase type 1; Ketol-acid reductoisomerase type I; EC 1.1.1.86 from Alicyclobacillus acidocaldarius subsp. acidocaldarius (strain ATCC 27009 / DSM 446 / BCRC 14685 / JCM 5260 / KCTC 1825 / NBRC 15652 / NCIMB 11725 / NRRL B-14509 / 104-IA) (Bacillus acidocaldarius) (see paper)
67% identity, 99% coverage: 2:331/333 of query aligns to 3:331/344 of C8WR67

query
sites
C8WR67

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YGSQ 25:28 (= YGSQ 24:27) binding NADP(+)
R48 (= R47) binding NADP(+); mutation to P: Inversion of the cofactor specificity from NADPH to NADH.
S52 (≠ N52) binding NADP(+); mutation to D: Inversion of the cofactor specificity from NADPH to NADH.
DERQ 82:85 (≠ DHIQ 82:85) binding NADP(+)
G133 (= G133) binding NADP(+)
D190 (= D190) binding Mg(2+)
E194 (= E194) binding Mg(2+)
E226 (= E226) binding Mg(2+)

4tskA Ketol-acid reductoisomerase from alicyclobacillus acidocaldarius (see paper)
67% identity, 99% coverage: 2:331/333 of query aligns to 2:330/333 of 4tskA

query
sites
4tskA

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active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding magnesium ion: D189 (= D190), D189 (= D190), E193 (= E194), E193 (= E194), R246 (= R247), Y247 (= Y248), I249 (= I250), D251 (= D252), Q254 (≠ E255)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), L46 (≠ Q46), R47 (= R47), S51 (≠ N52), L78 (= L79), L79 (≠ V80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132)

8ep7C Crystal structure of the ketol-acid reductoisomerase from bacillus anthracis in complex with NADP
67% identity, 99% coverage: 1:329/333 of query aligns to 1:328/328 of 8ep7C

query
sites
8ep7C

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binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), R47 (= R47), S51 (≠ A51), L78 (= L79), L79 (≠ V80), P80 (= P81), D81 (= D82), Q83 (≠ I84), V87 (≠ L88), H106 (= H107)

8upqB Campylobacter jejuni ketol-acid reductoisomerase in complex with 2,3- dihydroxy-3-isovalerate.
58% identity, 100% coverage: 1:332/333 of query aligns to 2:333/342 of 8upqB

query
sites
8upqB

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E

P

P

E

E

I

M

A

A

F

Y

F

F

E

E

C

C

M

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

Q

Q

G

G

L

I

S

A

Y

D

M

M

R

R

Y

Y

S

S

I

I

S
|
S

D

N

T

T

A
|
A

E

E

Y

Y

G

G

D

D

Y

Y

T

I

R

T

G

G

K

P

R

K

I

I

T

T

E

E

T

T

R

K

K

K

E

A

M

M

K

K

K

G

I

V

L

L

E

K

E

D

I

I

Q

Q

T

N

G

G

Q

V

F

F

A

A

R

K

E

D

W

F

I

I

L

L

E

E

N

R

Q

R

A

A

G

G

T

F

P

A

M

R

F

M

R

H

T

A

M

E

R

R

R

K

R

N

E

M

R

N

A

D

H

S

L

L

V

I

E

E

E

K

V

T

G

G

A

R

R

N

L

L

R

R

A

A

M

M

P

P

F

W

L

I

E

S

A

A

K

K

F

L

binding magnesium ion: D191 (= D190), E195 (= E194)
binding (2R)-2,3-dihydroxy-3-methylbutanoic acid: A132 (≠ G131), P133 (= P132), D191 (= D190), E195 (= E194), E231 (= E230), S252 (= S251), A255 (= A254)

7q03A Ketol-acid reductoisomerase from methanothermococcus thermolithotrophicus in the close state with NADP and mg2+ (see paper)
60% identity, 97% coverage: 1:323/333 of query aligns to 1:323/328 of 7q03A

query
sites
7q03A

M

M

R

K

I

V

F

F

Y

Y

D

D

A

S

D

D

A

T

D

T

A

F

K

D

V

A

L

V

Q

K

G

D

K

K

K

T

V

I

A

A

V

V

I

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

R

A

A

Q

Q

A

S

Q

L

N

N

L

M

R

K

D

D

S

S

G

G

V

L

Q

K

V

V

I

V

V

V

G

G

Q

L

R
|
R

P

P

G

N

S

G

A

A

N
x
S

Y

W

E

N

K

K

A

A

V

K

E

E

D

D

G

G

F

H

E

E

P

V

V

L

S

S

A

I

R

E

E

E

A

A

E

E

A

K

A

A

D

D

V

I

I

I

Q

H

M

I

L
|
L

V
x
I

P
|
P

D
|
D

H

E

I
|
I

Q

Q

A

G

K

D

L

V

Y

Y

R

N

D

K

D

Q

V

I

A

K

P

P

F

Y

M

L

T

K

P

E

G

G

K

K

T

T

L

L

L

S

F

F

S

S

H
|
H

G

G

F

Y

N

N

I

I

H

H

F

Y

G

G

Q

Y

I

I

V

V

P

P

K

E

D

G

V

V

D

N

V

V

M

M

V

V

A

A

P

P

K

K

G

S

P
|
P

G

G

H

A

L

M

V

V

R

R

S

R

E

T

Y

Y

V

E

R

E

G

G

A

F

G

G

V

V

P

P

A

G

L

L

V

V

A

C

I

V

H

E

Q

K

D

D

A

A

T

T

G

G

Q

D

A

A

L

L

Q

D

T

I

A

A

L

L

A

G

Y

M

A

A

K

K

G

G

I

V

G

G

A

L

T

T

R

R

A

A

G

G

V

V

M

I

E

Q

T

T

F

F

Q

R

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

A

V

V

L

L

C

C

G

G

V

V

S

T

E

E

L

L

I

I

K

K

A

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

S

P

P

E

E

I

M

A

A

F

Y

F

F

E

E

C

T

M

C

H

H

E

E

L

L

K

K

L

L

I

I

V

I

D

D

L

L

I

I

Y

Y

Q

Q

G

K

G

G

L

F

S

A

Y

G

M

M

R

W

Y

N

S

D

I

V

S

S

D

N

T

T

A

A

E

E

Y

Y

G

G

D

G

Y

L

T

T

R

R

G

R

K

S

R

R

I

V

I

I

T

N

E

E

E

Q

T

S

R

R

K

Q

E

E

M

M

K

R

K

K

I

I

L

L

E

K

E

E

I

I

Q

Q

T

D

G

G

Q

R

F

F

A

T

R

K

E

E

W

W

I

A

L

L

E

E

N

N

Q

I

A

S

G

G

T

K

P

A

M

H

F

L

R

N

T

S

M

M

R

R

R

I

E

E

R

S

A

E

H

L

L

L

V

I

E

E

V

V

G

G

A

A

R

K

L

L

R

R

A

K

M

M

binding magnesium ion: D190 (= D190), E194 (= E194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), R47 (= R47), S52 (≠ N52), L79 (= L79), I80 (≠ V80), P81 (= P81), D82 (= D82), I84 (= I84), H107 (= H107), P132 (= P132)

7rduA Crystal structure of campylobacter jejuni keto said reductoisomerase in complex with magnesium and oxidixized and reduced NADPH
58% identity, 98% coverage: 1:327/333 of query aligns to 2:328/329 of 7rduA

query
sites
7rduA

M

I

R

T

I

V

F

Y

Y

Y

D

D

A

K

D

D

A

C

D

D

A

L

K

N

V

L

L

I

Q

K

G

S

K

K

V

V

A

A

V

I

I

I

G
|
G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

Q

H

A

A

Q

M

N

N

L

L

R

R

D

D

S

N

G

G

V

V

Q

N

V

V

I

T

V

I

G

G

Q

L

R
|
R

P

E

G

G

S
|
S

A

V

N
x
S

Y

A

E

V

K

K

A

A

V

K

E

N

D

A

G

G

F

F

E

E

P

V

V

M

S

S

A

V

R

S

E

E

A

A

A

S

E

K

A

I

A

A

D

D

V

V

I

I

Q

M

M

I

L
|
L

V
x
A

P
|
P

D
|
D

H

E

I

I

Q

Q

A

A

K

D

L
x
I

Y

F

R

N

D

V

D

E

V

I

A

K

P

P

F

N

M

L

T

S

P

E

G

G

K

K

T

A

L

I

L

A

F

F

S
x
A

H
|
H

G

G

F

F

N

N

I

I

H

H

F

Y

G

G

Q

Q

I

I

V

V

P

V

P

P

K

K

D

G

V

V

D

D

V

V

V

I

M

M

V

I

A

A

P
|
P

K
|
K

G
x
A

P

P

G

G

H

H

L

T

V

V

R

R

S

N

E

E

Y

F

V

T

R

L

G

G

A

G

G

G

V

T

P

P

A

C

L

L

V

I

A

A

I

I

H

H

Q

Q

D

D

A

E

T

S

G

K

Q

N

A

A

L

K

Q

N

T

L

A

A

L

L

A

S

Y

Y

A

A

K

S

G

A

I

I

G

G

A

G

T

G

R

R

A

T

G

G

V

I

M

I

E

E

T

T

F

F

Q

K

E

A

E

E

T

T

E

E

T

T

D

D

L

L

F

F

G

G

E

E

Q

Q

A

A

V

V

L

L

C

C

G

G

V

L

S

S

E

A

L

L

I

I

K

Q

A

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

E

P

P

E

E

I

M

A

A

F

Y

F

F

E

E

C

C

M

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

Q

Q

G

G

L

I

S

A

Y

D

M

M

R

R

Y

Y

S

S

I

I

S

S

D

N

T

T

A

A

E

E

Y

Y

G

G

D

D

Y

Y

T

I

R

T

G

G

K

P

R

K

I

I

T

T

E

E

T

T

R

K

K

K

E

A

M

M

K

K

K

G

I

V

L

L

E

K

E

D

I

I

Q

Q

T

N

G

G

Q

V

F

F

A

A

R

K

E

D

W

F

I

I

L

L

E

E

N

R

Q

R

A

A

G

G

T

F

P

A

M

R

F

M

R

H

T

A

M

E

R

R

R

K

R

N

E

M

R

N

A

D

H

S

L

L

V

I

E

E

E

K

V

T

G

G

A

R

R

N

L

L

R

R

A

A

M

M

P

P

F

W

L

I

binding nadp nicotinamide-adenine-dinucleotide phosphate: G24 (= G23), G26 (= G25), S27 (= S26), Q28 (= Q27), R48 (= R47), S51 (= S50), S53 (≠ N52), A81 (≠ V80), P82 (= P81), D83 (= D82), I89 (≠ L88), A107 (≠ S106), H108 (= H107), P130 (= P129), K131 (= K130), A132 (≠ G131)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G24 (= G23), F25 (≠ Y24), G26 (= G25), S27 (= S26), Q28 (= Q27), S51 (= S50), S53 (≠ N52), L80 (= L79), P82 (= P81), D83 (= D82), I89 (≠ L88), A107 (≠ S106), H108 (= H107)

8uppA Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and hoe704
58% identity, 98% coverage: 1:327/333 of query aligns to 1:327/327 of 8uppA

query
sites
8uppA

M

I

R

T

I

V

F

Y

Y

Y

D

D

A

K

D

D

A

C

D

D

A

L

K

N

V

L

L

I

Q

K

G

S

K

K

V

V

A

A

V

I

I

I

G

G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

Q

H

A

A

Q

M

N

N

L

L

R

R

D

D

S

N

G

G

V

V

Q

N

V

V

I

T

V

I

G

G

Q

L

R
|
R

P

E

G

G

S
|
S

A

V

N

S

Y

A

E

V

K

K

A

A

V

K

E

N

D

A

G

G

F

F

E

E

P

V

V

M

S

S

A

V

R

S

E

E

A

A

A

S

E

K

A

I

A

A

D

D

V

V

I

I

Q

M

M

I

L
|
L

V

A

P
|
P

D
|
D

H

E

I
|
I

Q
|
Q

A

A

K

D

L
x
I

Y

F

R

N

D

V

D

E

V

I

A

K

P

P

F

N

M

L

T

S

P

E

G

G

K

K

T

A

L

I

L

A

F

F

S

A

H
|
H

G

G

F

F

N

N

I

I

H

H

F

Y

G

G

Q

Q

I

I

V

V

P

V

P

P

K

K

D

G

V

V

D

D

V

V

V

I

M

M

V

I

A

A

P

P

K

K

G
x
A

P
|
P

G

G

H

H

L

T

V

V

R

R

S

N

E

E

Y

F

V

T

R

L

G

G

A

G

G

G

V

T

P

P

A

C

L

L

V

I

A

A

I

I

H

H

Q

Q

D

D

A

E

T

S

G

K

Q

N

A

A

L

K

Q

N

T

L

A

A

L

L

A

S

Y

Y

A

A

K

S

G

A

I

I

G

G

A

G

T

G

R

R

A

T

G

G

V

I

M

I

E

E

T

T

F

F

Q

K

E

A

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

A

V

V

L

L

C

C

G

G

V

L

S

S

E

A

L

L

I

I

K

Q

A

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

E

P

P

E

E

I

M

A

A

F

Y

F

F

E

E

C

C

M

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

Q

Q

G

G

L

I

S

A

Y

D

M

M

R

R

Y

Y

S

S

I
|
I

S
|
S

D

N

T

T

A
|
A

E

E

Y

Y

G

G

D

D

Y

Y

T

I

R

T

G

G

K

P

R

K

I

I

T

T

E

E

T

T

R

K

K

K

E

A

M

M

K

K

K

G

I

V

L

L

E

K

E

D

I

I

Q

Q

T

N

G

G

Q

V

F

F

A

A

R

K

E

D

W

F

I

I

L

L

E

E

N

R

Q

R

A

A

G

G

T

F

P

A

M

R

F

M

R

H

T

A

M

E

R

R

R

K

R

N

E

M

R

N

A

D

H

S

L

L

V

I

E

E

E

K

V

T

G

G

A

R

R

N

L

L

R

R

A

A

M

M

P

P

F

W

L

I

binding magnesium ion: D190 (= D190), E194 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: F24 (≠ Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), R47 (= R47), S50 (= S50), L79 (= L79), P81 (= P81), D82 (= D82), I84 (= I84), Q85 (= Q85), I88 (≠ L88), H107 (= H107), P132 (= P132), I250 (= I250), S251 (= S251)
binding (2R)-(dimethylphosphoryl)(hydroxy)acetic acid: A131 (≠ G131), P132 (= P132), D190 (= D190), E194 (= E194), E230 (= E230), I250 (= I250), S251 (= S251), A254 (= A254)

8sxdA Campylobacter jejuni keto-acid reductoisomerase in complex with intermediate and NADP+
58% identity, 98% coverage: 1:327/333 of query aligns to 1:327/327 of 8sxdA

query
sites
8sxdA

M

I

R

T

I

V

F

Y

Y

Y

D

D

A

K

D

D

A

C

D

D

A

L

K

N

V

L

L

I

Q

K

G

S

K

K

V

V

A

A

V

I

I

I

G
|
G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

Q

H

A

A

Q

M

N

N

L

L

R

R

D

D

S

N

G

G

V

V

Q

N

V

V

I

T

V

I

G

G

Q

L

R

R

P

E

G

G

S
|
S

A

V

N
x
S

Y

A

E

V

K

K

A

A

V

K

E

N

D

A

G

G

F

F

E

E

P

V

V

M

S

S

A

V

R

S

E

E

A

A

A

S

E

K

A

I

A

A

D

D

V

V

I

I

Q

M

M

I

L
|
L

V
x
A

P
|
P

D
|
D

H

E

I

I

Q

Q

A

A

K

D

L

I

Y

F

R

N

D

V

D

E

V

I

A

K

P

P

F

N

M

L

T

S

P

E

G

G

K

K

T

A

L

I

L

A

F

F

S

A

H

H

G

G

F

F

N

N

I

I

H

H

F

Y

G

G

Q

Q

I

I

V

V

P

V

P

P

K

K

D

G

V

V

D

D

V

V

V

I

M

M

V

I

A

A

P
|
P

K

K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

S

N

E

E

Y

F

V

T

R

L

G

G

A

G

G

G

V

T

P

P

A

C

L

L

V

I

A

A

I

I

H

H

Q

Q

D

D

A

E

T

S

G

K

Q

N

A

A

L

K

Q

N

T

L

A

A

L

L

A

S

Y

Y

A

A

K

S

G

A

I

I

G

G

A

G

T

G

R

R

A

T

G

G

V

I

M

I

E

E

T

T

F

F

Q

K

E

A

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

A

V

V

L

L

C

C

G

G

V

L

S

S

E

A

L

L

I

I

K

Q

A

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

E

P

P

E

E

I

M

A

A

F

Y

F

F

E

E

C

C

M

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

Q

Q

G

G

L

I

S

A

Y

D

M

M

R

R

Y

Y

S

S

I

I

S

S

D

N

T

T

A

A

E

E

Y

Y

G

G

D

D

Y

Y

T

I

R

T

G

G

K

P

R

K

I

I

T

T

E

E

T

T

R

K

K

K

E

A

M

M

K

K

K

G

I

V

L

L

E

K

E

D

I

I

Q

Q

T

N

G

G

Q

V

F

F

A

A

R

K

E

D

W

F

I

I

L

L

E

E

N

R

Q

R

A

A

G

G

T

F

P

A

M

R

F

M

R

H

T

A

M

E

R

R

R

K

R

N

E

M

R

N

A

D

H

S

L

L

V

I

E

E

E

K

V

T

G

G

A

R

R

N

L

L

R

R

A

A

M

M

P

P

F

W

L

I

binding magnesium ion: D190 (= D190), E194 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G23 (= G23), F24 (≠ Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), S50 (= S50), S52 (≠ N52), L79 (= L79), A80 (≠ V80), P81 (= P81), D82 (= D82), P129 (= P129)
binding 3-hydroxy-3-methyl-2-oxobutanoic acid: D190 (= D190), E194 (= E194)

8swmA Crystal structure of campylobacter jejuni ketol-acid reductoisomerase in complex with 2-acetolactate
59% identity, 97% coverage: 4:326/333 of query aligns to 1:323/323 of 8swmA

query
sites
8swmA

F

Y

Y

Y

D

D

A

K

D

D

A

C

D

D

A

L

K

N

V

L

L

I

Q

K

G

S

K

K

V

V

A

A

V

I

I

I

G

G

Y

F

G

G

S

S

Q

Q

G

G

H

H

A

A

Q

H

A

A

Q

M

N

N

L

L

R

R

D

D

S

N

G

G

V

V

Q

N

V

V

I

T

V

I

G

G

Q

L

R

R

P

E

G

G

S

S

A

V

N

S

Y

A

E

V

K

K

A

A

V

K

E

N

D

A

G

G

F

F

E

E

P

V

V

M

S

S

A

V

R

S

E

E

A

A

A

S

E

K

A

I

A

A

D

D

V

V

I

I

Q

M

M

I

L

L

V

A

P

P

D

D

H

E

I

I

Q

Q

A

A

K

D

L

I

Y

F

R

N

D

V

D

E

V

I

A

K

P

P

F

N

M

L

T

S

P

E

G

G

K

K

T

A

L

I

L

A

F

F

S

A

H

H

G

G

F

F

N

N

I

I

H

H

F

Y

G

G

Q

Q

I

I

V

V

P

V

P

P

K

K

D

G

V

V

D

D

V

V

V

I

M

M

V

I

A

A

P

P

K

K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

S

N

E

E

Y

F

V

T

R

L

G

G

A

G

G

G

V

T

P

P

A

C

L

L

V

I

A

A

I

I

H

H

Q

Q

D

D

A

E

T

S

G

K

Q

N

A

A

L

K

Q

N

T

L

A

A

L

L

A

S

Y

Y

A

A

K

S

G

A

I

I

G

G

A

G

T

G

R

R

A

T

G

G

V

I

M

I

E

E

T

T

F

F

Q

K

E

A

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

A

V

V

L

L

C

C

G

G

V

L

S

S

E

A

L

L

I

I

K

Q

A

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

E

P

P

E

E

I

M

A

A

F

Y

F

F

E

E

C

C

M

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

Q

Q

G

G

L

I

S

A

Y

D

M

M

R

R

Y

Y

S

S

I

I

S

S

D

N

T

T

A

A

E

E

Y

Y

G

G

D

D

Y

Y

T

I

R

T

G

G

K

P

R

K

I

I

T

T

E

E

T

T

R

K

K

K

E

A

M

M

K

K

K

G

I

V

L

L

E

K

E

D

I

I

Q

Q

T

N

G

G

Q

V

F

F

A

A

R

K

E

D

W

F

I

I

L

L

E

E

N

R

Q

R

A

A

G

G

T

F

P

A

M

R

F

M

R

H

T

A

M

E

R

R

R

K

R

N

E

M

R

N

A

D

H

S

L

L

V

I

E

E

E

K

V

T

G

G

A

R

R

N

L

L

R

R

A

A

M

M

P

P

F

W

binding magnesium ion: D187 (= D190), E191 (= E194)
binding (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid: D187 (= D190), E191 (= E194)

C1DFH7 Ketol-acid reductoisomerase (NADP(+)); KARI; Acetohydroxy-acid isomeroreductase; AHIR; Alpha-keto-beta-hydroxylacyl reductoisomerase; Ketol-acid reductoisomerase type 1; Ketol-acid reductoisomerase type I; EC 1.1.1.86 from Azotobacter vinelandii (strain DJ / ATCC BAA-1303) (see paper)
56% identity, 100% coverage: 1:332/333 of query aligns to 1:332/338 of C1DFH7

query
sites
C1DFH7

M

M

R

K

I

V

F

Y

Y

Y

D

D

A

K

D

D

A

C

D

D

A

L

K

S

V

I

L

I

Q

Q

G

S

K

K

V

V

A

A

V

I

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

Q

H

A

A

Q

C

N

N

L

L

R

K

D

D

S

S

G

G

V

V

Q

D

V

V

I

Y

V

V

G

G

Q

L

R

R

P

A

G

G

S

S

A

A

N

S

Y

V

E

A

K

K

A

A

V

E

E

A

D

H

G

G

F

L

E

T

P

V

V

K

S

S

A

V

R

K

E

D

A

A

A

V

E

A

A

A

D

D

V

V

I

V

Q

M

M

I

L

L

V

T

P

P

D

D

H

E

I

F

Q

Q

A

G

K

R

L

L

Y

Y

R

K

D

D

D

E

V

I

A

E

P

P

F

N

M

L

T

K

P

K

G

G

K

A

T

T

L

L

L

A

F

F

S

A

H

H

G

G

F

F

N

S

I

I

H

H

F

Y

G

N

Q

Q

I

V

V

V

P

P

P

R

K

A

D

D

V

L

D

D

V

V

V

I

M

M

V

I

A

A

P

P

K

K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

S

S

E

E

Y

F

V

V

R

R

G

G

A

G

G

G

V

I

P

P

A

D

L

L

V

I

A

A

I

V

H

Y

Q

Q

D

D

A

A

T

S

G

G

Q

N

A

A

L

K

Q

N

T

L

A

A

L

L

A

S

Y

Y

A

A

K

C

G

G

I

V

G

G

A

G

T

G

R

R

A

T

G

G

V

I

M

I

E

E

T

T

F

F

Q

K

E

D

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E

E

Q

Q

A

A

V

V

L

L

C

C

G

G

V

C

S

V

E

E

L

L

I

V

K

K

A

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

A

P

P

E

E

I

M

A

A

F

Y

F

F

E
|
E

C

C

M

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

F

Q

E

G

G

L

I

S

A

Y

N

M

M

R

N

Y

Y

S

S

I

I

S

S

D

N

T

N

A

A

E

E

Y

Y

G

G

D

E

Y

Y

T

V

R

T

G

G

K

P

R

E

I

V

I

I

T

N

E

E

E

Q

T

S

R

R

K

Q

E

A

M

M

K

R

K

N

I

A

L

L

E

K

E

R

I

I

Q

Q

T

D

G

G

Q

E

F

Y

A

A

R

K

E

M

W

F

I

I

L

T

E

E

N

G

Q

A

A

A

G

N

T

Y

P

P

M

S

F

M

R

T

T

A

M

Y

R

R

R

N

E

N

R

A

A

A

H

H

L

Q

V

I

E

E

E

V

V

V

G

G

A

E

R

K

L

L

R

R

A

T

M

M

P

P

F

W

L

I

E

A

A

A

K

N

K

K

F

I

D190 (= D190) binding Mg(2+)
E226 (= E226) binding Mg(2+)
E230 (= E230) binding Mg(2+)

4xiyA Crystal structure of ketol-acid reductoisomerase from azotobacter (see paper)
56% identity, 98% coverage: 1:327/333 of query aligns to 1:327/328 of 4xiyA

query
sites
4xiyA

M

M

R

K

I

V

F

Y

Y

Y

D

D

A

K

D

D

A

C

D

D

A

L

K

S

V

I

L

I

Q

Q

G

S

K

K

V

V

A

A

V

I

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

Q

H

A

A

Q

C

N

N

L

L

R

K

D

D

S

S

G

G

V

V

Q

D

V

V

I

Y

V

V

G

G

Q

L

R

R

P

A

G

G

S

S

A

A

N

S

Y

V

E

A

K

K

A

A

V

E

E

A

D

H

G

G

F

L

E

T

P

V

V

K

S

S

A

V

R

K

E

D

A

A

A

V

E

A

A

A

D

D

V

V

I

V

Q

M

M

I

L

L

V

T

P

P

D

D

H

E

I

F

Q

Q

A

G

K

R

L

L

Y

Y

R

K

D

D

D

E

V

I

A

E

P

P

F

N

M

L

T

K

P

K

G

G

K

A

T

T

L

L

L

A

F

F

S

A

H

H

G

G

F

F

N

S

I

I

H

H

F

Y

G

N

Q

Q

I

V

V

V

P

P

P

R

K

A

D

D

V

L

D

D

V

V

V

I

M

M

V

I

A

A

P

P

K
|
K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

S

S

E

E

Y

F

V

V

R

R

G

G

A

G

G

G

V

I

P

P

A

D

L

L

V

I

A

A

I

V

H

Y

Q

Q

D

D

A

A

T

S

G

G

Q

N

A

A

L

K

Q

N

T

L

A

A

L

L

A

S

Y

Y

A

A

K

C

G

G

I

V

G

G

A

G

T

G

R

R

A

T

G

G

V

I

M

I

E

E

T

T

F

F

Q

K

E

D

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

A

V

V

L

L

C

C

G

G

V

C

S

V

E

E

L

L

I

V

K

K

A

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

A

P

P

E

E

I

M

A

A

F

Y

F

F

E
|
E

C

C

M

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

F

Q

E

G

G

L

I

S

A

Y

N

M

M

R

N

Y

Y

S

S

I

I

S

S

D

N

T

N

A

A

E

E

Y

Y

G

G

D

E

Y

Y

T

V

R

T

G

G

K

P

R

E

I

V

I

I

T

N

E

E

E

Q

T

S

R

R

K

Q

E

A

M

M

K

R

K

N

I

A

L

L

E

K

E

R

I

I

Q

Q

T

D

G

G

Q

E

F

Y

A

A

R

K

E

M

W

F

I

I

L

T

E

E

N

G

Q

A

A

A

G

N

T

Y

P

P

M

S

F

M

R

T

T

A

M

Y

R

R

R

N

E

N

R

A

A

A

H

H

L

Q

V

I

E

E

E

V

V

V

G

G

A

E

R

K

L

L

R

R

A

T

M

M

P

P

F

W

L

I

active site: K130 (= K130), D190 (= D190), E194 (= E194)
binding fe (iii) ion: D190 (= D190), E194 (= E194)
binding magnesium ion: E226 (= E226), E230 (= E230)

6bulB Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 2
59% identity, 98% coverage: 3:328/333 of query aligns to 3:327/327 of 6bulB

query
sites
6bulB

I

V

F

Y

Y

Y

D

D

A

Q

D

D

A

V

D

K

A

T

K

D

V

A

L

L

Q

Q

G

G

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

Q

H

A

A

Q

Q

N

N

L

L

R

K

D

D

S

N

G

G

V

Y

Q

D

V

V

I

V

V

I

G

G

Q
x
I

R
|
R

P

P

G

G

S

R

A
x
S

N

-

Y

F

E

D

K

K

A

A

V

K

E

E

D

D

G

G

F

F

E

D

P

V

V

F

S

P

A

V

R

A

E

E

A

A

A

V

E

K

A

Q

A

A

D

D

V

V

I

I

Q

M

M

V

L
|
L

V
x
L

P
|
P

D
|
D

H

E

I

I

Q

Q

A

G

K

D

L

V

Y

Y

R

K

D

N

D

E

V

I

A

E

P

P

F

N

M

L

T

E

P

K

G

H

K

N

T

A

L

L

L

A

F

F

S

A

H
|
H

G

G

F

F

N

N

I

I

H

H

F

F

G

G

Q

V

I

I

V

Q

P

P

K

A

D

D

V

V

D

D

V

V

V

F

M

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

L

L

V

V

R

R

S

R

E

T

Y

F

V

V

R

E

G

G

A

S

G

A

V

V

P

P

A

S

L

L

V

F

A

G

I

I

H

Q

Q

Q

D

D

A

A

T

S

G

G

Q

Q

A

A

L

R

Q

N

T

I

A

A

L

L

A

S

Y

Y

A

A

K

K

G

G

I

I

G

G

A

A

T

T

R

R

A

A

G

G

V

V

M

I

E

E

T

T

F

F

Q

K

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

A

V

V

L

L

C

C

G

G

V

V

S

S

E

K

L

L

I

I

K

Q

A

S

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

I

L

A

A

F

Y

F

F

E

E

C

V

M

L

H

H

E
|
E

L

M

K

K

L

L

I
|
I

V

V

D

D

L

L

I

M

Y

Y

Q

E

G

G

L

M

S

E

Y

N

M

V

R

R

Y

Y

S
|
S

I
|
I

S
|
S

D

N

T

T

A
|
A

E

E

Y

F

G

G

D

D

Y

Y

T

V

R

S

G

G

K

P

R

R

I

V

I

I

T

T

E

P

E

D

T

V

R

K

K

E

E

N

M

M

K

K

K

A

I

V

L

L

E

T

E

D

I

I

Q

Q

T

N

G

G

Q

N

F

F

A

S

R

N

E

R

W

F

I

I

L

E

E

D

N

N

Q

K

A

N

G

G

T

F

P

K

M

E

F

F

R

Y

T

K

M

L

R

R

R

E

E

Q

R

H

A

G

H

H

L

Q

V

I

E

E

E

K

V

V

G

G

A

R

R

E

L

L

R

R

A

E

M

M

P

P

F

F

L

I

E

K

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), E229 (= E230), I233 (= I234), I249 (= I250), S250 (= S251), A253 (= A254)
binding oxo{[(1S)-1-phenylethyl]amino}acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), E229 (= E230), I233 (= I234), I249 (= I250), S250 (= S251), A253 (= A254)
binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ Q46), R47 (= R47), S51 (≠ A51), L78 (= L79), L79 (≠ V80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132), S248 (= S249), I249 (= I250), S250 (= S251)

6vo2A Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex with mg, NADPH and inhibitor. (see paper)
59% identity, 98% coverage: 3:327/333 of query aligns to 3:326/326 of 6vo2A

query
sites
6vo2A

I

V

F

Y

Y

Y

D

D

A

Q

D

D

A

V

D

K

A

T

K

D

V

A

L

L

Q

Q

G

G

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

Q

H

A

A

Q

Q

N

N

L

L

R

K

D

D

S

N

G

G

V

Y

Q

D

V

V

I

V

V

I

G

G

Q
x
I

R
|
R

P

P

G

G

S

R

A
x
S

N

-

Y

F

E

D

K

K

A

A

V

K

E

E

D

D

G

G

F

F

E

D

P

V

V

F

S

P

A

V

R

A

E

E

A

A

A

V

E

K

A

Q

A

A

D

D

V

V

I

I

Q

M

M

V

L
|
L

V
x
L

P
|
P

D
|
D

H

E

I

I

Q

Q

A

G

K

D

L

V

Y

Y

R

K

D

N

D

E

V

I

A

E

P

P

F

N

M

L

T

E

P

K

G

H

K

N

T

A

L

L

L

A

F

F

S

A

H
|
H

G

G

F

F

N

N

I

I

H

H

F

F

G

G

Q

V

I

I

V

Q

P

P

K

A

D

D

V

V

D

D

V

V

V

F

M

L

V

V

A

A

P

P

K

K

G
|
G

P
|
P

G

G

H

H

L

L

V

V

R

R

S

R

E

T

Y

F

V

V

R

E

G

G

A

S

G

A

V

V

P

P

A

S

L

L

V

F

A

G

I

I

H

Q

Q

Q

D

D

A

A

T

S

G

G

Q

Q

A

A

L

R

Q

N

T

I

A

A

L

L

A

S

Y

Y

A

A

K

K

G

G

I

I

G

G

A

A

T

T

R

R

A

A

G

G

V

V

M

I

E

E

T

T

F

F

Q

K

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

A

V

V

L

L

C

C

G

G

V

V

S

S

E

K

L

L

I

I

K

Q

A

S

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

I

L

A

A

F

Y

F

F

E

E

C

V

M

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

Y

Q

E

G

G

L

M

S

E

Y

N

M

V

R

R

Y

Y

S

S

I
|
I

S
|
S

D

N

T

T

A
|
A

E

E

Y

F

G

G

D

D

Y

Y

T

V

R

S

G

G

K

P

R

R

I

V

I

I

T

T

E

P

E

D

T

V

R

K

K

E

E

N

M

M

K

K

K

A

I

V

L

L

E

T

E

D

I

I

Q

Q

T

N

G

G

Q

N

F

F

A

S

R

N

E

R

W

F

I

I

L

E

E

D

N

N

Q

K

A

N

G

G

T

F

P

K

M

E

F

F

R

Y

T

K

M

L

R

R

R

E

E

Q

R

H

A

G

H

H

L

Q

V

I

E

E

E

K

V

V

G

G

A

R

R

E

L

L

R

R

A

E

M

M

P

P

F

F

L

I

binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ Q46), R47 (= R47), S51 (≠ A51), L78 (= L79), L79 (≠ V80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132), I249 (= I250), S250 (= S251)
binding 3-(methylsulfonyl)-2-oxopropanoic acid: G130 (= G131), P131 (= P132), D189 (= D190), E193 (= E194), E229 (= E230), I249 (= I250), S250 (= S251), A253 (= A254)

6c5nA Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1
59% identity, 98% coverage: 3:327/333 of query aligns to 3:326/326 of 6c5nA

query
sites
6c5nA

I

V

F

Y

Y

Y

D

D

A

Q

D

D

A

V

D

K

A

T

K

D

V

A

L

L

Q

Q

G

G

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

Q

H

A

A

Q

Q

N

N