SitesBLAST

7rduA Crystal structure of campylobacter jejuni keto said reductoisomerase in complex with magnesium and oxidixized and reduced NADPH
60% identity, 99% coverage: 1:327/329 of query aligns to 2:328/329 of 7rduA

query
sites
7rduA

M

I

K

T

V

V

Y

Y

E

D

K

K

D

D

A

C

D

D

L

L

K

N

F

L

L

I

K

K

G

S

K

K

T

K

V

V

A

A

I

I

G
|
G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

M

N

N

L

L

R

R

D

D

S

N

G

G

V

V

N

N

V

V

V

T

V

I

G

G

Q

L

R
|
R

P

E

G

G

G
x
S

P

V

N
x
S

Y

A

D

V

L

K

A

A

K

K

E

N

H

A

G

G

F

F

E

E

P

V

V

M

S

S

A

V

A

S

E

E

A

A

A

S

K

K

Q

I

A

A

D

D

L

V

V

I

M

M

I

I

L
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L

L
x
A

P
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P

D
|
D

Q

E

V

I

Q

Q

K

A

T

D

V
x
I

F

F

D

N

N

V

D

E

I

I

A

K

P

P

N

N

L

L

E

S

E

E

G

G

N

K

V

A

I

I

A

A

F

F

G
x
A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

Y

Q

G

Q

Q

I

I

V

V

P

V

P

P

K

K

G

G

I

V

D

D

C

V

M

I

L

M

V

I

A

A

P
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P

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K

G
x
A

P

P

G

G

H

H

M

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V

R

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R

N

T

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A

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E

L

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A

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C

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L

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I

A

A

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E

H

Q

Q

D

D

A

E

S

S

G

K

N

N

A

A

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K

D

N

I

L

A

A

L

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A

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Y

Y

A

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I

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F

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K

E

A

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T

E

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D

D

L

L

F

F

G

G

E

E

Q

Q

A

A

V

V

L

L

C

C

G

G

L

L

T

S

E

A

L

L

C

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

V

M

A

A

Y

Y

F

F

E

E

C

C

L

L

H

H

E

E

L

M

K

K

L

L

I

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D

L

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M

I

Y

Y

E

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G

G

M

I

A

A

A

D

M

M

R

R

Y

Y

S

S

I

I

S

S

D

N

T

T

A

A

E

E

F

Y

G

G

D

D

Y

Y

V

I

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G

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P

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V

I

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I

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D

E

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K

A

K

A

A

M

M

K

K

T

G

V

V

L

L

K

K

E

D

I

I

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Q

N

N

G

G

K

V

F

F

A

A

R

K

D

D

F

F

I

I

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L

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G

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P

A

M

R

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R

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K

L

N

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M

A

N

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D

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S

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L

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E

E

E

K

V

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G

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W

W

L

I

binding nadp nicotinamide-adenine-dinucleotide phosphate: G24 (= G23), G26 (= G25), S27 (= S26), Q28 (= Q27), R48 (= R47), S51 (≠ G50), S53 (≠ N52), A81 (≠ L80), P82 (= P81), D83 (= D82), I89 (≠ V88), A107 (≠ G106), 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 (≠ G50), S53 (≠ N52), L80 (= L79), P82 (= P81), D83 (= D82), I89 (≠ V88), A107 (≠ G106), H108 (= H107)

8uppA Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and hoe704
60% identity, 99% coverage: 1:327/329 of query aligns to 1:327/327 of 8uppA

query
sites
8uppA

M

I

K

T

V

V

Y

Y

E

D

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K

D

D

A

C

D

D

L

L

K

N

F

L

L

I

K

K

G

S

K

K

T

K

V

V

A

A

I

I

G

G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

M

N

N

L

L

R

R

D

D

S

N

G

G

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V

N

N

V

V

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T

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R

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G

G

G
x
S

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N

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Y

A

D

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L

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A

A

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K

E

N

H

A

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G

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E

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D

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L

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D

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I

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I

F

F

D

N

N

V

D

E

I

I

A

K

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P

N

N

L

L

E

S

E

E

G

G

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H
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H

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F

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N

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H

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Y

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D

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E

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A

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V

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C

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G

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A

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Y

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D

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A

A

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A

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Y

G

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D

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M

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I

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N

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F

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K

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D

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F

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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 (≠ G50), L79 (= L79), P81 (= P81), D82 (= D82), I84 (≠ V84), Q85 (= Q85), I88 (≠ V88), 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+
60% identity, 99% coverage: 1:327/329 of query aligns to 1:327/327 of 8sxdA

query
sites
8sxdA

M

I

K

T

V

V

Y

Y

E

D

K

K

D

D

A

C

D

D

L

L

K

N

F

L

L

I

K

K

G

S

K

K

T

K

V

V

A

A

I

I

G
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G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

M

N

N

L

L

R

R

D

D

S

N

G

G

V

V

N

N

V

V

V

T

V

I

G

G

Q

L

R

R

P

E

G

G

G
x
S

P

V

N
x
S

Y

A

D

V

L

K

A

A

K

K

E

N

H

A

G

G

F

F

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S

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A

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E

E

A

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K

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A

D

D

L

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M

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L

L
x
A

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P

D
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D

Q

E

V

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Q

K

A

T

D

V

I

F

F

D

N

N

V

D

E

I

I

A

K

P

P

N

N

L

L

E

S

E

E

G

G

N

K

V

A

I

I

A

A

F

F

G

A

H

H

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F

N

N

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P

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K

G

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D

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P

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G

A

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G

H

H

M

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V

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N

T

E

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I

A

A

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D

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N

N

A

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I

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A

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Y

Y

A

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E

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D

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L

F

F

G

G

E
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E

Q

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A

A

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V

L

L

C

C

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G

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A

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A

A

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G

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E

E

A

A

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Y

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E

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P

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E

V

M

A

A

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Y

F

F

E

E

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C

L

L

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L

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K

L

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I

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D

L

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M

I

Y

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E

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G

G

M

I

A

A

A

D

M

M

R

R

Y

Y

S

S

I

I

S

S

D

N

T

T

A

A

E

E

F

Y

G

G

D

D

Y

Y

V

I

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T

G

G

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K

V

I

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I

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T

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E

E

E

S

T

R

K

A

K

A

A

M

M

K

K

T

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V

V

L

L

K

K

E

D

I

I

Q

Q

N

N

G

G

K

V

F

F

A

A

R

K

D

D

F

F

I

I

L

L

D

E

N

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R

A

A

G

G

Q

F

P

A

M

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E

R

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R

K

L

N

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M

A

N

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D

H

S

Q

L

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I

E

E

E

K

V

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G

G

T

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R

N

L

L

R

R

E

A

M

M

S

P

W

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 (≠ G50), S52 (≠ N52), L79 (= L79), A80 (≠ L80), 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
61% identity, 98% coverage: 4:326/329 of query aligns to 1:323/323 of 8swmA

query
sites
8swmA

Y

Y

E

D

K

K

D

D

A

C

D

D

L

L

K

N

F

L

L

I

K

K

G

S

K

K

T

K

V

V

A

A

I

I

G

G

Y

F

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

Q

M

N

N

L

L

R

R

D

D

S

N

G

G

V

V

N

N

V

V

V

T

V

I

G

G

Q

L

R

R

P

E

G

G

G

S

P

V

N

S

Y

A

D

V

L

K

A

A

K

K

E

N

H

A

G

G

F

F

E

E

P

V

V

M

S

S

A

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A

S

E

E

A

A

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Q

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A

A

D

D

L

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M

I

I

L

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L

A

P

P

D

D

Q

E

V

I

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Q

K

A

T

D

V

I

F

F

D

N

N

V

D

E

I

I

A

K

P

P

N

N

L

L

E

S

E

E

G

G

N

K

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A

I

I

A

A

F

F

G

A

H

H

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F

F

N

N

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F

Y

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I

A

A

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H

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Q

D

D

A

E

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G

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N

N

A

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E

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E

E

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A

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E

Q

G

G

M

I

A

A

A

D

M

M

R

R

Y

Y

S

S

I

I

S

S

D

N

T

T

A

A

E

E

F

Y

G

G

D

D

Y

Y

V

I

T

T

G

G

P

P

R

K

V

I

I

I

S

T

D

E

E

E

S

T

R

K

A

K

A

A

M

M

K

K

T

G

V

V

L

L

K

K

E

D

I

I

Q

Q

N

N

G

G

K

V

F

F

A

A

R

K

D

D

F

F

I

I

L

L

D

E

N

R

Q

R

A

A

G

G

Q

F

P

A

M

R

L

M

R

H

S

A

Q

E

R

R

R

K

L

N

G

M

A

N

E

D

H

S

Q

L

I

I

E

E

E

K

V

T

G

G

T

R

R

N

L

L

R

R

E

A

M

M

S

P

W

W

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

8k32C The complex structure of slkari with nadh at 2.12-angstrom resolution
59% identity, 99% coverage: 2:328/329 of query aligns to 2:333/333 of 8k32C

query
sites
8k32C

K

R

V

M

Y

Y

E

D

K

A

D

D

A

A

D

N

L

L

K

D

F

L

L

L

K

K

G

G

K

K

T

T

V

I

A

A

I

V

I

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

Q

A

A

Q

Q

N

N

L

L

R

H

D

D

S

S

G

G

V

L

N

E

V

V

G

G

Q

L

R
|
R

P

K

G

P

G

E

P

D

N

D

Y

F

D

T

L

T

A

A

K
x
E

E

W

H

N

-

Q

-

V

-

A

-

D

G

G

F

L

E

T

P

P

V

L

S

P

A

V

A

D

E

E

A

A

K

R

Q

A

A

A

D

Q

L

I

V

I

M

Q

I

I

L
|
L

L
x
V

P
|
P

D
|
D

Q

D

V

I

Q

Q

K

A

T

K

V
|
V

F

Y

D

R

N

E

D

K

I

I

A

E

P

P

N

Y

L

L

E

N

E

E

G

G

N

D

V

A

I

L

A

G

F

F

G
x
S

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

Q

G

Q

Q

I

I

V

V

P

P

K

P

G

S

I

V

D

D

C

V

M

F

L

M

V

V

A

A

P

P

K

K

G

S

P

P

G

G

H

H

M

L

V

V

R

R

T

M

F

Y

A

R

E

Q

G

G

G

V

A

G

V

V

P

P

A

G

L

L

V

I

A

A

I

V

E

H

Q

N

D

D

A

H

S

T

G

G

N

K

A

A

L

L

D

E

I

T

A

G

L

L

A

A

Y

Y

A

A

K

K

G

G

I

I

G

G

A

C

T

T

R

R

S

A

G

G

V

V

I

I

E

A

T

T

F

F

R

K

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

C

V

V

L

L

C

C

G

G

L

V

T

T

E

E

L

L

C

I

K

K

A

A

G

G

F

F

E

D

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

V

I

A

A

Y

Y

F

F

E
|
E

C

C

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

I

V

D

D

L

L

M

I

Y

Y

E

E

G

G

M

I

A

G

A

L

M

M

R

R

Y

Y

S

S

I

V

S

S

D

D

T

T

A

A

E

E

F

Y

G

G

D

D

Y

L

V

T

T

V

G

G

P

P

R

R

V

I

I

I

S

N

D

E

E

N

S

T

R

R

A

A

A

E

M

M

K

K

T

K

V

V

L

L

K

A

E

A

I

I

Q

Q

N

D

G

G

K

T

F

F

A

A

R

R

D

E

F

L

I

L

L

L

D

E

N

F

Q

Q

A

V

G

G

Q

R

P

P

M

V

L

F

R

S

S

A

Q

L

R

R

L

K

G

G

A

Q

E

E

H

H

Q

L

I

I

E

E

E

K

V

V

G

G

T

K

R

E

L

L

R

R

E

A

M

M

S

P

W

W

L

L

K

K

binding magnesium ion: D195 (= D190), E199 (= E194), E231 (= E226), E235 (= E230)
binding 1,4-dihydronicotinamide adenine dinucleotide: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), R47 (= R47), E57 (≠ K57), L84 (= L79), V85 (≠ L80), P86 (= P81), D87 (= D82), V93 (= V88), S111 (≠ G106), H112 (= H107)

6bulB Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 2
64% identity, 99% coverage: 3:328/329 of query aligns to 3:327/327 of 6bulB

query
sites
6bulB

V

V

Y

Y

E

D

K

Q

D

D

A

V

D

K

L

T

K

D

F

A

L

L

K

Q

G

G

K

K

T

K

V

I

A

A

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

K

D

D

S

N

G

G

V

Y

N

D

V

V

V

I

G

G

Q
x
I

R
|
R

P

P

G

G

G

-

P

R

N
x
S

Y

F

D

D

L

K

A

A

K

K

E

E

H

D

G

G

F

F

E

D

P

V

V

F

S

P

A

V

A

A

E

E

A

A

A

V

K

K

Q

Q

A

A

D

D

L

V

V

I

M

M

I

V

L
|
L

P
|
P

D
|
D

Q

E

V

I

Q

Q

K

G

T

D

V

V

F

Y

D

K

N

N

D

E

I

I

A

E

P

P

N

N

L

L

E

E

E

K

G

H

N

N

V

A

I

L

A

A

F

F

G

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

Q

G

Q

V

I

I

V

Q

P

P

K

A

G

D

I

V

D

D

C

V

M

F

L

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

M

L

V

V

R

R

T

T

F

F

A

V

E

E

G

G

G

S

A

A

V

V

P

P

A

S

L

L

V

F

A

G

I

I

E

Q

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

L

R

D

N

I

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

S

A

G

G

V

V

I

I

E

E

T

T

F

F

R

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

L

V

T

S

E

K

L

L

C

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

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I
|
I

I

V

D

D

L

L

M

M

Y

Y

E

E

G

G

M

M

A

E

A

N

M

V

R

R

Y

Y

S
|
S

I
|
I

S
|
S

D

N

T

T

A
|
A

E

E

F

F

G

G

D

D

Y

Y

V

V

T

S

G

G

P

P

R

R

V

V

I

I

S

T

D

P

E

D

S

V

R

K

A

E

A

N

M

M

K

K

T

A

V

V

L

L

K

T

E

D

I

I

Q

Q

N

N

G

G

K

N

F

F

A

S

R

N

D

R

F

F

I

I

L

E

D

D

N

N

Q

K

A

N

G

G

Q

F

P

K

M

E

L

F

R

Y

S

K

Q

L

R

R

R

E

L

E

G

Q

A

H

E

G

H

H

Q

Q

I

I

E

E

E

K

V

V

G

G

T

R

R

E

L

L

R

R

E

E

M

M

S

P

W

F

L

I

K

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 (≠ N52), L78 (= L79), L79 (= L80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132), S248 (= S249), I249 (= I250), S250 (= S251)

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)
59% identity, 99% coverage: 1:327/329 of query aligns to 1:327/338 of C1DFH7

query
sites
C1DFH7

M

M

K

K

V

V

Y

Y

E

D

K

K

D

D

A

C

D

D

L

L

K

S

F

I

L

I

K

Q

G

S

K

K

T

K

V

V

A

A

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

Q

C

N

N

L

L

R

K

D

D

S

S

G

G

V

V

N

D

V

V

V

Y

V

V

G

G

Q

L

R

R

P

A

G

G

G

S

P

A

N

S

Y

V

D

A

L

K

A

A

K

E

E

A

H

H

G

G

F

L

E

T

P

V

V

K

S

S

A

V

A

K

E

D

A

A

A

V

K

A

Q

A

A

A

D

D

L

V

V

V

M

M

I

I

L

L

L

T

P

P

D

D

Q

E

V

F

Q

Q

K

G

T

R

V

L

F

Y

D

K

N

D

D

E

I

I

A

E

P

P

N

N

L

L

E

K

G

G

N

A

V

T

I

L

A

A

F

F

G

A

H

H

G

G

F

F

N

S

V

I

H

H

F

Y

Q

N

Q

Q

I

V

V

V

P

P

P

R

K

A

G

D

I

L

D

D

C

V

M

I

L

M

V

I

A

A

P

P

K

K

G

A

P

P

G

G

H

H

M

T

V

V

R

R

R

S

T

E

F

F

A

V

E

R

G

G

A

G

V

I

P

P

A

D

L

L

V

I

A

A

I

V

E

Y

Q

Q

D

D

A

A

S

S

G

G

N

N

A

A

L

K

D

N

I

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

S

T

G

G

V

I

I

I

E

E

T

T

F

F

R

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

L

C

T

V

E

E

L

L

C

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

V

M

A

A

Y

Y

F

F

E
|
E

C

C

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

I

V

D

D

L

L

M

M

Y

F

E

E

G

G

M

I

A

A

A

N

M

M

R

N

Y

Y

S

S

I

I

S

S

D

N

T

N

A

A

E

E

F

Y

G

G

D

E

Y

Y

V

V

T

T

G

G

P

P

R

E

V

V

I

I

S

N

D

E

E

Q

S

S

R

R

A

Q

A

A

M

M

K

R

T

N

V

A

L

L

K

K

E

R

I

I

Q

Q

N

D

G

G

K

E

F

Y

A

A

R

K

D

M

F

F

I

I

L

T

D

E

N

G

Q

A

A

A

G

N

Q

Y

P

P

M

S

L

M

R

T

S

A

Q

Y

R

R

L

N

G

N

A

A

E

A

H

H

Q

Q

I

I

E

E

E

V

V

V

G

G

T

E

R

K

L

L

R

R

E

T

M

M

S

P

W

W

L

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)
59% identity, 99% coverage: 1:327/329 of query aligns to 1:327/328 of 4xiyA

query
sites
4xiyA

M

M

K

K

V

V

Y

Y

E

D

K

K

D

D

A

C

D

D

L

L

K

S

F

I

L

I

K

Q

G

S

K

K

T

K

V

V

A

A

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

Q

C

N

N

L

L

R

K

D

D

S

S

G

G

V

V

N

D

V

V

V

Y

V

V

G

G

Q

L

R

R

P

A

G

G

G

S

P

A

N

S

Y

V

D

A

L

K

A

A

K

E

E

A

H

H

G

G

F

L

E

T

P

V

V

K

S

S

A

V

A

K

E

D

A

A

A

V

K

A

Q

A

A

A

D

D

L

V

V

V

M

M

I

I

L

L

L

T

P

P

D

D

Q

E

V

F

Q

Q

K

G

T

R

V

L

F

Y

D

K

N

D

D

E

I

I

A

E

P

P

N

N

L

L

E

K

G

G

N

A

V

T

I

L

A

A

F

F

G

A

H

H

G

G

F

F

N

S

V

I

H

H

F

Y

Q

N

Q

Q

I

V

V

V

P

P

P

R

K

A

G

D

I

L

D

D

C

V

M

I

L

M

V

I

A

A

P

P

K
|
K

G

A

P

P

G

G

H

H

M

T

V

V

R

R

R

S

T

E

F

F

A

V

E

R

G

G

A

G

V

I

P

P

A

D

L

L

V

I

A

A

I

V

E

Y

Q

Q

D

D

A

A

S

S

G

G

N

N

A

A

L

K

D

N

I

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

S

T

G

G

V

I

I

I

E

E

T

T

F

F

R

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

L

C

T

V

E

E

L

L

C

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

V

M

A

A

Y

Y

F

F

E
|
E

C

C

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

I

V

D

D

L

L

M

M

Y

F

E

E

G

G

M

I

A

A

A

N

M

M

R

N

Y

Y

S

S

I

I

S

S

D

N

T

N

A

A

E

E

F

Y

G

G

D

E

Y

Y

V

V

T

T

G

G

P

P

R

E

V

V

I

I

S

N

D

E

E

Q

S

S

R

R

A

Q

A

A

M

M

K

R

T

N

V

A

L

L

K

K

E

R

I

I

Q

Q

N

D

G

G

K

E

F

Y

A

A

R

K

D

M

F

F

I

I

L

T

D

E

N

G

Q

A

A

A

G

N

Q

Y

P

P

M

S

L

M

R

T

S

A

Q

Y

R

R

L

N

G

N

A

A

E

A

H

H

Q

Q

I

I

E

E

E

V

V

V

G

G

T

E

R

K

L

L

R

R

E

T

M

M

S

P

W

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)

6vo2A Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex with mg, NADPH and inhibitor. (see paper)
64% identity, 99% coverage: 3:327/329 of query aligns to 3:326/326 of 6vo2A

query
sites
6vo2A

V

V

Y

Y

E

D

K

Q

D

D

A

V

D

K

L

T

K

D

F

A

L

L

K

Q

G

G

K

K

T

K

V

I

A

A

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

K

D

D

S

N

G

G

V

Y

N

D

V

V

V

I

G

G

Q
x
I

R
|
R

P

P

G

G

G

-

P

R

N
x
S

Y

F

D

D

L

K

A

A

K

K

E

E

H

D

G

G

F

F

E

D

P

V

V

F

S

P

A

V

A

A

E

E

A

A

A

V

K

K

Q

Q

A

A

D

D

L

V

V

I

M

M

I

V

L
|
L

P
|
P

D
|
D

Q

E

V

I

Q

Q

K

G

T

D

V

V

F

Y

D

K

N

N

D

E

I

I

A

E

P

P

N

N

L

L

E

E

E

K

G

H

N

N

V

A

I

L

A

A

F

F

G

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

Q

G

Q

V

I

I

V

Q

P

P

K

A

G

D

I

V

D

D

C

V

M

F

L

L

V

V

A

A

P

P

K

K

G
|
G

P
|
P

G

G

H

H

M

L

V

V

R

R

T

T

F

F

A

V

E

E

G

G

G

S

A

A

V

V

P

P

A

S

L

L

V

F

A

G

I

I

E

Q

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

L

R

D

N

I

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

S

A

G

G

V

V

I

I

E

E

T

T

F

F

R

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

L

V

T

S

E

K

L

L

C

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

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

I

V

D

D

L

L

M

M

Y

Y

E

E

G

G

M

M

A

E

A

N

M

V

R

R

Y

Y

S

S

I
|
I

S
|
S

D

N

T

T

A
|
A

E

E

F

F

G

G

D

D

Y

Y

V

V

T

S

G

G

P

P

R

R

V

V

I

I

S

T

D

P

E

D

S

V

R

K

A

E

A

N

M

M

K

K

T

A

V

V

L

L

K

T

E

D

I

I

Q

Q

N

N

G

G

K

N

F

F

A

S

R

N

D

R

F

F

I

I

L

E

D

D

N

N

Q

K

A

N

G

G

Q

F

P

K

M

E

L

F

R

Y

S

K

Q

L

R

R

R

E

L

E

G

Q

A

H

E

G

H

H

Q

Q

I

I

E

E

E

K

V

V

G

G

T

R

R

E

L

L

R

R

E

E

M

M

S

P

W

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 (≠ N52), L78 (= L79), L79 (= L80), 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
64% identity, 99% coverage: 3:327/329 of query aligns to 3:326/326 of 6c5nA

query
sites
6c5nA

V

V

Y

Y

E

D

K

Q

D

D

A

V

D

K

L

T

K

D

F

A

L

L

K

Q

G

G

K

K

T

K

V

I

A

A

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

K

D

D

S

N

G

G

V

Y

N

D

V

V

V

I

G

G

Q
x
I

R
|
R

P

P

G

G

G

-

P

R

N
x
S

Y

F

D

D

L

K

A

A

K

K

E

E

H

D

G

G

F

F

E

D

P

V

V

F

S

P

A

V

A

A

E

E

A

A

A

V

K

K

Q

Q

A

A

D

D

L

V

V

I

M

M

I

V

L
|
L

P
|
P

D
|
D

Q

E

V

I

Q

Q

K

G

T

D

V

V

F

Y

D

K

N

N

D

E

I

I

A

E

P

P

N

N

L

L

E

E

E

K

G

H

N

N

V

A

I

L

A

A

F

F

G

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

Q

G

Q

V

I

I

V

Q

P

P

K

A

G

D

I

V

D

D

C

V

M

F

L

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

M

L

V

V

R

R

T

T

F

F

A

V

E

E

G

G

G

S

A

A

V

V

P

P

A

S

L

L

V

F

A

G

I

I

E

Q

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

L

R

D

N

I

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

S

A

G

G

V

V

I

I

E

E

T

T

F

F

R

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

L

V

T

S

E

K

L

L

C

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

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I
|
I

I

V

D

D

L

L

M

M

Y

Y

E

E

G

G

M

M

A

E

A

N

M

V

R

R

Y

Y

S
|
S

I
|
I

S
|
S

D

N

T

T

A
|
A

E

E

F

F

G

G

D

D

Y

Y

V

V

T

S

G

G

P

P

R

R

V

V

I

I

S

T

D

P

E

D

S

V

R

K

A

E

A

N

M

M

K

K

T

A

V

V

L

L

K

T

E

D

I

I

Q

Q

N

N

G

G

K

N

F

F

A

S

R

N

D

R

F

F

I

I

L

E

D

D

N

N

Q

K

A

N

G

G

Q

F

P

K

M

E

L

F

R

Y

S

K

Q

L

R

R

R

E

L

E

G

Q

A

H

E

G

H

H

Q

Q

I

I

E

E

E

K

V

V

G

G

T

R

R

E

L

L

R

R

E

E

M

M

S

P

W

F

L

I

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding (cyclopentylamino)(oxo)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), C198 (= C199), E229 (= E230), I233 (= I234), I249 (= I250), S250 (= S251), A253 (= A254)
binding [cyclopentyl(hydroxy)amino](oxo)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), C198 (= C199), E229 (= E230), I249 (= I250), S250 (= S251), A253 (= A254)
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 (≠ N52), L78 (= L79), L79 (= L80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132), S248 (= S249), I249 (= I250), S250 (= S251)

6c55A Crystal structure of staphylococcus aureus ketol-acid reductosimerrase with hydroxyoxamate inhibitor 3
64% identity, 99% coverage: 3:327/329 of query aligns to 3:326/326 of 6c55A

query
sites
6c55A

V

V

Y

Y

E

D

K

Q

D

D

A

V

D

K

L

T

K

D

F

A

L

L

K

Q

G

G

K

K

T

K

V

I

A

A

I

V

G

G

Y

Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

K

D

D

S

N

G

G

V

Y

N

D

V

V

V

I

G

G

Q
x
I

R
|
R

P

P

G

G

G

-

P

R

N
x
S

Y

F

D

D

L

K

A

A

K

K

E

E

H

D

G

G

F

F

E

D

P

V

V

F

S

P

A

V

A

A

E

E

A

A

A

V

K

K

Q

Q

A

A

D

D

L

V

V

I

M

M

I

V

L

L

L
|
L

P
|
P

D
|
D

Q

E

V
x
I

Q

Q

K

G

T

D

V

V

F

Y

D

K

N

N

D

E

I

I

A

E

P

P

N

N

L

L

E

E

E

K

G

H

N

N

V

A

I

L

A

A

F

F

G

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

Q

G

Q

V

I

I

V

Q

P

P

K

A

G

D

I

V

D

D

C

V

M

F

L

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

M

L

V

V

R

R

T

T

F

F

A

V

E

E

G

G

G

S

A

A

V

V

P

P

A

S

L

L

V

F

A

G

I

I

E

Q

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

L

R

D

N

I

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

S

A

G

G

V

V

I

I

E

E

T

T

F

F

R

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

L

V

T

S

E

K

L

L

C

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

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E

E

L

M

K

K

L

L

I

I

I

V

D

D

L

L

M

M

Y

Y

E

E

G

G

M

M

A

E

A

N

M

V

R

R

Y

Y

S
|
S

I
|
I

S
|
S

D

N

T

T

A
|
A

E

E

F

F

G

G

D

D

Y

Y

V

V

T

S

G

G

P

P

R

R

V

V

I

I

S

T

D

P

E

D

S

V

R

K

A

E

A

N

M

M

K

K

T

A

V

V

L

L

K

T

E

D

I

I

Q

Q

N

N

G

G

K

N

F

F

A

S

R

N

D

R

F

F

I

I

L

E

D

D

N

N

Q

K

A

N

G

G

Q

F

P

K

M

E

L

F

R

Y

S

K

Q

L

R

R

R

E

L

E

G

Q

A

H

E

G

H

H

Q

Q

I

I

E

E

E

K

V

V

G

G

T

R

R

E

L

L

R

R

E

E

M

M

S

P

W

F

L

I

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding [cyclohexyl(hydroxy)amino](oxo)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), C198 (= C199)
binding (cyclohexylamino)(oxo)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), C198 (= C199), I249 (= I250), S250 (= S251), A253 (= A254)
binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ Q46), R47 (= R47), S51 (≠ N52), L79 (= L80), P80 (= P81), D81 (= D82), I83 (≠ V84), H106 (= H107), S248 (= S249), S250 (= S251)

6aqjA Crystal structures of staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity. (see paper)
64% identity, 99% coverage: 3:327/329 of query aligns to 3:326/326 of 6aqjA

query
sites
6aqjA

V

V

Y

Y

E

D

K

Q

D

D

A

V

D

K

L

T

K

D

F

A

L

L

K

Q

G

G

K

K

T

K

V

I

A

A

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

K

D

D

S

N

G

G

V

Y

N

D

V

V

V

I

G

G

Q
x
I

R
|
R

P

P

G

G

G

-

P

R

N
x
S

Y

F

D

D

L

K

A

A

K

K

E

E

H

D

G

G

F

F

E

D

P

V

V

F

S

P

A

V

A

A

E

E

A

A

A

V

K

K

Q

Q

A

A

D

D

L

V

V

I

M

M

I

V

L
|
L

P
|
P

D
|
D

Q

E

V

I

Q

Q

K

G

T

D

V

V

F

Y

D

K

N

N

D

E

I

I

A

E

P

P

N

N

L

L

E

E

E

K

G

H

N

N

V

A

I

L

A

A

F

F

G

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

Q

G

Q

V

I

I

V

Q

P

P

K

A

G

D

I

V

D

D

C

V

M

F

L

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

M

L

V

V

R

R

T

T

F

F

A

V

E

E

G

G

G

S

A

A

V

V

P

P

A

S

L

L

V

F

A

G

I

I

E

Q

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

L

R

D

N

I

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

S

A

G

G

V

V

I

I

E

E

T

T

F

F

R

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

L

V

T

S

E

K

L

L

C

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

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I
|
I

I

V

D

D

L

L

M

M

Y

Y

E

E

G

G

M

M

A

E

A

N

M

V

R

R

Y

Y

S

S

I
|
I

S
|
S

D

N

T

T

A
|
A

E

E

F

F

G

G

D

D

Y

Y

V

V

T

S

G

G

P

P

R

R

V

V

I

I

S

T

D

P

E

D

S

V

R

K

A

E

A

N

M

M

K

K

T

A

V

V

L

L

K

T

E

D

I

I

Q

Q

N

N

G

G

K

N

F

F

A

S

R

N

D

R

F

F

I

I

L

E

D

D

N

N

Q

K

A

N

G

G

Q

F

P

K

M

E

L

F

R

Y

S

K

Q

L

R

R

R

E

L

E

G

Q

A

H

E

G

H

H

Q

Q

I

I

E

E

E

K

V

V

G

G

T

R

R

E

L

L

R

R

E

E

M

M

S

P

W

F

L

I

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding oxo(propan-2-ylamino)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), E229 (= E230), I233 (= I234), I249 (= I250), S250 (= S251), A253 (= A254)
binding n-hydroxy-n-isopropyloxamic acid: P131 (= P132), D189 (= D190), E193 (= E194), E229 (= E230), I249 (= I250), S250 (= S251), A253 (= A254)
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 (≠ N52), L78 (= L79), L79 (= L80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132), I249 (= I250), S250 (= S251)

5w3kA Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, mg2+ and cpd (see paper)
64% identity, 99% coverage: 3:327/329 of query aligns to 3:326/326 of 5w3kA

query
sites
5w3kA

V

V

Y

Y

E

D

K

Q

D

D

A

V

D

K

L

T

K

D

F

A

L

L

K

Q

G

G

K

K

T

K

V

I

A

A

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

K

D

D

S

N

G

G

V

Y

N

D

V

V

V

I

G

G

Q
x
I

R
|
R

P

P

G

G

G

-

P

R

N
x
S

Y

F

D

D

L

K

A

A

K

K

E

E

H

D

G

G

F

F

E

D

P

V

V

F

S

P

A

V

A

A

E

E

A

A

A
x
V

K
|
K

Q

Q

A
|
A

D

D

L

V

V

I

M

M

I

V

L
|
L

P
|
P

D
|
D

Q

E

V

I

Q

Q

K

G

T

D

V

V

F

Y

D

K

N

N

D

E

I

I

A

E

P

P

N

N

L

L

E

E

E

K

G

H

N
|
N

V

A

I

L

A

A

F

F

G

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

Q

G

Q

V

I

I

V

Q

P

P

K

A

G

D

I

V

D

D

C

V

M

F

L

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G
|
G

H

H

M

L

V

V

R

R

T

T

F

F

A

V

E

E

G

G

G

S

A

A

V

V

P

P

A

S

L

L

V

F

A

G

I

I

E

Q

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

L

R

D

N

I

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

S

A

G

G

V

V

I

I

E

E

T

T

F

F

R

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

L

V

T

S

E

K

L

L

C

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

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

I

V

D

D

L

L

M

M

Y

Y

E

E

G

G

M

M

A

E

A

N

M

V

R

R

Y

Y

S

S

I
|
I

S
|
S

D

N

T

T

A
|
A

E

E

F

F

G

G

D

D

Y

Y

V

V

T

S

G

G

P

P

R

R

V

V

I

I

S

T

D

P

E

D

S

V

R

K

A

E

A

N

M

M

K

K

T

A

V

V

L

L

K

T

E

D

I

I

Q

Q

N

N

G

G

K

N

F

F

A

S

R

N

D

R

F

F

I

I

L

E

D

D

N

N

Q

K

A

N

G

G

Q

F

P

K

M

E

L

F

R

Y

S

K

Q

L

R

R

R

E

L

E

G

Q

A

H

E

G

H

H

Q

Q

I

I

E

E

E

K

V

V

G

G

T

R

R

E

L

L

R

R

E

E

M

M

S

P

W

F

L

I

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding cyclopropane-1,1-dicarboxylic acid: D189 (= D190), E193 (= E194), E229 (= E230), I249 (= I250), S250 (= S251), A253 (= A254)
binding magnesium ion: V69 (≠ A70), K70 (= K71), A72 (= A73), N100 (= N101), D189 (= D190), E193 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ Q46), R47 (= R47), S51 (≠ N52), L78 (= L79), L79 (= L80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132), G132 (= G133), I249 (= I250), S250 (= S251)

8cy8A Apo form cryo-em structure of campylobacter jejune ketol-acid reductoisommerase crosslinked by glutaraldehyde
58% identity, 99% coverage: 1:327/329 of query aligns to 1:311/312 of 8cy8A

query
sites
8cy8A

M

I

K

T

V

V

Y

Y

E

D

K

K

D

D

A

C

D

D

L

L

K

N

F

L

L

I

K

K

G

S

K

K

T

K

V

V

A

A

I

I

G

G

Y

F

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

Q

M

N

N

L

L

R

R

D

D

S

N

G

G

V

V

N

N

V

V

V

T

V

I

G

G

Q

L

R

R

P

N

G

A

G

G

P

-

N

-

Y

-

D

-

L

-

A

-

K

-

E

-

H

-

G

-

F

F

E

E

P

V

V

M

S

S

A

V

A

S

E

E

A

A

A

S

K

K

Q

I

A

A

D

D

L

V

V

I

M

M

I

I

L

L

L

A

P

P

D

D

Q

E

V

I

Q

Q

K

A

T

D

V

I

F

F

D

N

N

V

D

E

I

I

A

K

P

P

N

N

L

L

E

S

E

E

G

G

N

K

V

A

I

I

A

A

F

F

G

A

H

H

G

G

F

F

N

N

V

I

H

H

F

Y

Q

G

Q

Q

I

I

V

V

P

V

P

P

K

K

G

G

I

V

D

D

C

V

M

I

L

M

V

I

A

A

P

P

K

K

G

A

P

P

G

G

H

H

M

T

V

V

R

R

R

N

T

E

F

-

A

-

E

-

G

-

A

-

V

T

P

P

A

C

L

L

V

I

A

A

I

I

E

H

Q

Q

D

D

A

E

S

S

G

K

N

N

A

A

L

K

D

N

I

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

S

T

G

G

V

I

I

I

E

E

T

T

F

F

R

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

L

L

T

S

E

A

L

L

C

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

V

M

A

A

Y

Y

F

F

E

E

C

C

L

L

H

H

E

E

L

M

K

K

L

L

I

I

I

V

D

D

L

L

M

I

Y

Y

E

Q

G

G

M

I

A

A

A

D

M

M

R

R

Y

Y

S

S

I

I

S

S

D

N

T

T

A

A

E

E

F

Y

G

G

D

D

Y

Y

V

I

T

T

G

G

P

P

R

K

V

I

I

I

S

T

D

E

E

E

S

T

R

K

A

K

A

A

M

M

K

K

T

G

V

V

L

L

K

K

E

D

I

I

Q

Q

N

N

G

G

K

V

F

F

A

A

R

K

D

D

F

F

I

I

L

L

D

E

N

R

Q

R

A

A

G

G

Q

F

P

A

M

R

L

M

R

H

S

A

Q

E

R

R

R

K

L

N

G

M

A

N

E

D

H

S

Q

L

I

I

E

E

E

K

V

T

G

G

T

R

R

N

L

L

R

R

E

A

M

M

S

P

W

W

L

I

binding pentanedial: D174 (= D190), E178 (= E194), L182 (= L198)

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)
60% identity, 99% coverage: 2:328/329 of query aligns to 3:328/344 of C8WR67

query
sites
C8WR67

K

K

V

I

Y

Y

E

D

K

A

D

D

A

I

D

S

L

I

K

Q

F

P

L

L

K

A

G

D

K

K

T

R

V

I

A

A

I

V

I

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

R

D

D

S

S

G

G

V

F

N

D

V

V

V

I

G

G

Q

L

R
|
R

P

P

G

G

G

S

P

-

N
x
S

Y

W

D

A

L

K

A

A

K

E

E

A

H

D

G

G

F

F

E

R

P

V

V

M

S

A

A

V

A

G

E

E

A

A

A

V

K

E

Q

E

A

S

D

D

L

V

V

I

M

M

I

I

L

L

P

P

D
|
D

Q
x
E

V
x
R

Q
|
Q

K

P

T

A

V

V

F

Y

D

E

N

R

D

E

I

I

A

R

P

P

N

Y

L

L

E

T

E

A

G

G

N

K

V

A

I

L

A

A

F

F

G

A

H

H

G

G

F

F

N

N

V

I

H

H

F

F

Q

S

Q

Q

I

I

V

Q

P

P

K

K

G

D

I

V

D

D

C

V

M

F

L

M

V

V

A

A

P

P

K

K

G

G

P

P

G
|
G

H

H

M

L

V

V

R

R

T

V

F

Y

A

E

E

A

G

G

A

G

V

V

P

P

A

A

L

L

V

I

A

A

I

V

E

H

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

L

K

D

D

I

L

A

A

L

L

A

A

Y

Y

A

A

K

R

G

G

I

I

G

G

A

A

T

G

R

R

S

A

G

G

V

I

I

L

E

T

T

T

F

F

R

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

L

L

T

S

E

A

L

L

C

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

Q

P

P

E

E

V

I

A

A

Y

Y

F

F

E
|
E

C

C

L

L

H

H

E

E

L

M

K

K

L

L

I

I

I

V

D

D

L

L

M

I

Y

Y

E

E

G

G

M

L

A

E

A

Y

M

M

R

R

Y

Y

S

S

I

I

S

S

D

D

T

T

A

A

E

Q

F

W

G

G

D

D

Y

F

V

T

T

S

G

G

P

P

R

R

V

I

I

I

S

N

D

E

E

E

S

T

R

K

A

K

A

E

M

M

K

R

T

R

V

I

L

L

K

A

E

D

I

I

Q

Q

N

S

G

G

K

A

F

F

A

A

R

K

D

S

F

W

I

I

L

L

D

E

N

N

Q

Q

A

A

G

N

Q

R

P

P

M

M

L

F

R

N

S

A

Q

I

R

N

R

R

L

R

G

E

A

L

E

E

H

H

Q

P

I

I

E

E

E

V

V

V

G

G

T

R

R

K

L

L

R

R

E

S

M

M

S

P

W

F

L

I

K

K

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 (≠ DQVQ 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)
60% identity, 99% coverage: 2:328/329 of query aligns to 2:327/333 of 4tskA

query
sites
4tskA

K

K

V

I

Y

Y

E

D

K

A

D

D

A

I

D

S

L

I

K

Q

F

P

L

L

K

A

G

D

K

K

T

R

V

I

A

A

I

V

I

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

R

D

D

S

S

G

G

V

F

N

D

V

V

V

I

G

G

Q
x
L

R
|
R

P

P

G

G

G

S

P

-

N
x
S

Y

W

D

A

L

K

A

A

K

E

E

A

H

D

G

G

F

F

E

R

P

V

V

M

S

A

A

V

A

G

E

E

A

A

A

V

K

E

Q

E

A

S

D

D

L

V

V

I

M

M

I

I

L
|
L

P
|
P

D
|
D

Q

E

V

R

Q

Q

K

P

T

A

V

V

F

Y

D

E

N

R

D

E

I

I

A

R

P

P

N

Y

L

L

E

T

E

A

G

G

N

K

V

A

I

L

A

A

F

F

G

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

Q

S

Q

Q

I

I

V

Q

P

P

K

K

G

D

I

V

D

D

C

V

M

F

L

M

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

M

L

V

V

R

R

T

V

F

Y

A

E

E

A

G

G

A

G

V

V

P

P

A

A

L

L

V

I

A

A

I

V

E

H

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

L

K

D

D

I

L

A

A

L

L

A

A

Y

Y

A

A

K

R

G

G

I

I

G

G

A

A

T

G

R

R

S

A

G

G

V

I

I

L

E

T

T

T

F

F

R

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

L

L

T

S

E

A

L

L

C

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

Q

P

P

E

E

V

I

A

A

Y

Y

F

F

E

E

C

C

L

L

H

H

E

E

L

M

K

K

L

L

I

I

I

V

D

D

L

L

M

I

Y

Y

E

E

G

G

M

L

A

E

A

Y

M

M

R
|
R

Y
|
Y

S

S

I
|
I

S

S

D
|
D

T

T

A

A

E
x
Q

F

W

G

G

D

D

Y

F

V

T

T

S

G

G

P

P

R

R

V

I

I

I

S

N

D

E

E

E

S

T

R

K

A

K

A

E

M

M

K

R

T

R

V

I

L

L

K

A

E

D

I

I

Q

Q

N

S

G

G

K

A

F

F

A

A

R

K

D

S

F

W

I

I

L

L

D

E

N

N

Q

Q

A

A

G

N

Q

R

P

P

M

M

L

F

R

N

S

A

Q

I

R

N

R

R

L

R

G

E

A

L

E

E

H

H

Q

P

I

I

E

E

E

V

V

V

G

G

T

R

R

K

L

L

R

R

E

S

M

M

S

P

W

F

L

I

K

K

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 (= L80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132)

7q03A Ketol-acid reductoisomerase from methanothermococcus thermolithotrophicus in the close state with NADP and mg2+ (see paper)
57% identity, 98% coverage: 1:323/329 of query aligns to 1:323/328 of 7q03A

query
sites
7q03A

M

M

K

K

V

V

Y

F

Y

Y

E

D

K

S

D

D

A

T

D

T

L

F

K

D

F

A

L

V

K

K

G

D

K

K

T

T

V

I

A

A

I

V

I

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

R

A

A

H

Q

A

S

Q

L

N

N

L

M

R

K

D

D

S

S

G

G

V

L

N

K

V

V

G

G

Q

L

R
|
R

P

P

G

N

G

G

P

A

N
x
S

Y

W

D

N

L

K

A

A

K

K

E

E

H

D

G

G

F

H

E

E

P

V

V

L

S

S

A

I

A

E

E

E

A

A

K

E

Q

K

A

A

D

D

L

I

V

I

M

H

I

I

L
|
L

L
x
I

P
|
P

D
|
D

Q

E

V
x
I

Q

Q

K

G

T

D

V

V

F

Y

D

N

N

K

D

Q

I

I

A

K

P

P

N

Y

L

L

E

K

E

E

G

G

N

K

V

T

I

L

A

S

F

F

G

S

H
|
H

G

G

F

Y

N

N

V

I

H

H

F

Y

Q

G

Q

Y

I

I

V

V

P

P

K

E

G

G

I

V

D

N

C

V

M

V

L

M

V

V

A

A

P

P

K

K

G

S

P
|
P

G

G

H

A

M

M

V

V

R

R

T

T

F

Y

A

E

E

E

G

G

G

F

A

G

V

V

P

P

A

G

L

L

V

V

A

C

I

V

E

E

Q

K

D

D

A

A

S

T

G

G

N

D

A

A

L

L

D

D

I

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

S

A

G

G

V

V

I

I

E

Q

T

T

F

F

R

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

L

V

T

T

E

E

L

L

C

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

V

M

A

A

Y

Y

F

F

E

E

C

T

L

C

H

H

E

E

L

L

K

K

L

L

I

I

D

D

L

L

M

I

Y

Y

E

Q

G

K

G

G

M

F

A

A

A

G

M

M

R

W

Y

N

S

D

I

V

S

S

D

N

T

T

A

A

E

E

F

Y

G

G

D

G

Y

L

V

T

T

R

G

R

P

S

R

R

V

V

I

I

S

N

D

E

E

Q

S

S

R

R

A

Q

A

E

M

M

K

R

T

K

V

I

L

L

K

K

E

E

I

I

Q

Q

N

D

G

G

K

R

F

F

A

T

R

K

D

E

F

W

I

A

L

L

D

E

N

N

Q

I

A

S

G

G

Q

K

P

A

M

H

L

L

R

N

S

S

Q

M

R

R

L

I

G

E

A

S

E

E

H

L

Q

L

I

I

E

E

V

V

G

G

T

A

R

K

L

L

R

R

E

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 (≠ L80), P81 (= P81), D82 (= D82), I84 (≠ V84), H107 (= H107), P132 (= P132)

D0WGK0 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 Slackia exigua (strain ATCC 700122 / DSM 15923 / CIP 105133 / JCM 11022 / KCTC 5966 / S-7) (see paper)
55% identity, 100% coverage: 1:329/329 of query aligns to 12:340/342 of D0WGK0

query
sites
D0WGK0

M

V

K

T

V

I

Y

L

Y

Y

E

E

K

Q

D

D

A

V

D

D

L

P

K

K

F

V

L

I

K

Q

G

G

K

L

T

K

V

V

A

G

I

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

L

N

N

L

L

R

M

D

D

S

S

G

G

V

V

N

D

V

V

V

R

V

V

G

G

Q

L

R
|
R

P

E

G

G

G
x
S

P

S

N
x
S

Y

W

D

K

L

T

A

A

K

E

E

E

H

A

G

G

F

L

E

K

P

V

V

T

S

D

A

M

A

D

E

T

A

A

K

E

Q

E

A

A

D

D

L

V

V

I

M

M

I

V

L

L

L

V

P

P

D
|
D

Q
x
E

V
x
I

Q
|
Q

K

P

T

K

V

V

F

Y

D

Q

N

E

D

H

I

I

A

A

P

A

N

H

L

L

E

K

E

A

G

G

N

N

V

T

I

L

A

A

F

F

G

A

H

H

G

G

F

F

N

N

V

I

H

H

F

Y

Q

G

Q

Y

I

I

V

V

P

P

K

E

G

D

I

V

D

N

C

V

M

I

L

M

V

C

A

A

P

P

K

K

G

G

P

P

G
|
G

H

H

M

I

V

V

R

R

T

Q

F

F

A

T

E

E

G

G

G

S

A

G

V

V

P

P

A

D

L

L

V

A

A

C

I

V

E

Q

Q

Q

D

D

A

A

S

T

G

G

N

N

A

A

L

W

D

D

I

I

A

V

L

L

A

S

Y

Y

A

C

K

W

G

G

I

V

G

G

A

G

T

A

R

R

S

S

G

G

V

I

I

I

E

K

T

A

T

T

F

F

R

A

E

E

T

T

E

E

T

E

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

A

V

V

L

L

C

C

G

G

L

L

T

V

E

E

L

L

C

V

K

K

A

A

G

G

F

F

E

E

T

T

L

L

V

T

E

E

A

A

G

G

Y

Y

Q

P

P

P

E

E

V

L

A

A

Y

Y

F

F

E

E

C

C

L

Y

H

H

E

E

L

M

K

K

L

M

I

I

I

V

D

D

L

L

M

M

Y

Y

E

E

G

S

G

G

M

I

A

H

A

F

M

M

R

N

Y

Y

S

S

I

I

S
|
S

D

N

T

T

A

A

E

E

F

Y

G

G

D

E

Y

Y

V

Y

T

A

G

G

P

P

R

K

V

V

I

I

S

N

D

E

E

Q

S

S

R

R

A

E

A

A

M

M

K

K

T

E

V

I

L

L

K

K

E

R

I

I

Q

Q

N

D

G

G

K

S

F

F

A

A

R

Q

D

E

F

F

I

V

L

D

D

D

N

C

Q

N

A

N

G

G

Q

H

P

K

M

R

L

L

R

L

S

E

Q

Q

R

R

R

E

L

A

G

I

A

N

E

T

H

H

Q

P

I

I

E

E

E

T

V

T

G

G

T

A

R

Q

L

I

R

R

E

S

M

M

M

F

S

S

W

W

L

I

K

K

YGSQ 35:38 (= YGSQ 24:27) binding NADP(+)
R58 (= R47) binding NADP(+)
S61 (≠ G50) binding NADP(+); mutation to D: Inversion of cofactor specificity from NADPH to NADH. Strong decrease of the affinity for NADPH and 2.5-fold decrease of the affinity for NADH. 8-fold decrease of the catalytic efficiency for NADPH and 2-fold increase of the catalytic efficiency for NADH; when associated with D-63.
S63 (≠ N52) binding NADP(+); mutation to D: Inversion of cofactor specificity from NADPH to NADH. Strong decrease of the affinity for NADPH and 2.5-fold decrease of the affinity for NADH. 8-fold decrease of the catalytic efficiency for NADPH and 2-fold increase of the catalytic efficiency for NADH; when associated with D-61.
DEIQ 93:96 (≠ DQVQ 82:85) binding NADP(+)
G144 (= G133) binding NADP(+)
D201 (= D190) binding Mg(2+)
E205 (= E194) binding Mg(2+)
S262 (= S251) binding substrate

Query Sequence

>WP_018125419.1 NCBI__GCF_000375485.1:WP_018125419.1
MKVYYEKDADLKFLKGKTVAIIGYGSQGHAHAQNLRDSGVNVVVGQRPGGPNYDLAKEHG
FEPVSAAEAAKQADLVMILLPDQVQKTVFDNDIAPNLEEGNVIAFGHGFNVHFQQIVPPK
GIDCMLVAPKGPGHMVRRTFAEGGAVPALVAIEQDASGNALDIALAYAKGIGATRSGVIE
TTFREETETDLFGEQAVLCGGLTELCKAGFETLVEAGYQPEVAYFECLHELKLIIDLMYE
GGMAAMRYSISDTAEFGDYVTGPRVISDESRAAMKTVLKEIQNGKFARDFILDNQAGQPM
LRSQRRLGAEHQIEEVGTRLREMMSWLKK

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