SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011914321.1 NCBI__GCF_000013785.1:WP_011914321.1 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)

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)
93% identity, 100% coverage: 1:338/338 of query aligns to 1:338/338 of C1DFH7

query
sites
C1DFH7

M

M

K

K

V

V

S

Y

Y

Y

D

D

K

K

D

D

C

C

D

D

L

L

S

S

I

I

Q

Q

G

S

K

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

C

C

N

N

L

L

K

K

D

D

S

S

G

G

V

V

D

D

V

V

T

Y

V

V

G

G

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L

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R

P

A

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G

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A

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I

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A

A

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K

A

A

E

E

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T

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S

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V

P

K

A

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D

L

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V

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M

I

I

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L

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D

D

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E

F

F

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Q

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G

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R

L

L

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K

D

D

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I

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E

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P

N

N

L

L

K

K

Q

K

G

G

A

A

T

T

L

L

A

A

F

F

A

A

H

H

G

G

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F

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S

I

I

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H

Y

Y

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N

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Q

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V

P

P

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R

A

A

D

D

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D

D

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V

I

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M

I

I

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K

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D

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L

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Y

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D

A

A

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S

G

G

N

N

A

A

R

K

N

N

V

L

A

A

L

L

S

S

Y

Y

A

A

C

C

G

G

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V

G

G

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T

G

G

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T

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F

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K

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D

L

L

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F

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G

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E

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Q

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A

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L

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C

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G

C

C

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E

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K

A

A

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G

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F

E

E

T

T

L

L

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E

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P

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E

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M

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E

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E

L

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K

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L

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I

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V

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D

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M

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F

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E

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G

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I

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A

N

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M

N

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Y

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I

I

S

S

N

N

A

A

E

E

Y

Y

G

G

E

E

Y

Y

V

V

T

T

G

G

P

P

E

E

V

V

I

I

N

N

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E

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S

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A

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A

A

M

M

R

R

N

N

A

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L

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K

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R

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I

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Q

D

D

G

G

E

E

Y

Y

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A

K

K

M

M

F

F

I

I

T

T

E

E

G

G

A

A

N

N

Y

Y

P

P

S

S

M

M

T

T

A

A

Y

Y

R

R

N

N

A

A

H

H

G

Q

I

I

E

E

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V

G

G

E

E

K

K

L

L

R

R

A

T

M

M

P

P

W

W

I

I

A

A

N

N

K

K

I

I

V

V

D

D

K

K

S

T

K

K

N

N

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)
93% identity, 97% coverage: 1:328/338 of query aligns to 1:328/328 of 4xiyA

query
sites
4xiyA

M

M

K

K

V

V

S

Y

Y

Y

D

D

K

K

D

D

C

C

D

D

L

L

S

S

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I

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Q

G

S

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K

V

V

A

A

I

I

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G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

C

C

N

N

L

L

K

K

D

D

S

S

G

G

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V

D

D

V

V

T

Y

V

V

G

G

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L

R

R

P

A

G

G

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S

A

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I

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A

A

K

K

A

A

E

E

A

A

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H

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G

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L

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T

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V

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K

D

S

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V

P

K

A

D

A

A

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A

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D

L

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V

V

M

M

I

I

L

L

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T

P

P

D

D

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E

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Q

G

G

R

R

L

L

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Y

K

K

D

D

E

E

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I

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E

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P

N

N

L

L

K

K

Q

K

G

G

A

A

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T

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L

A

A

F

F

A

A

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H

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G

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F

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N

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A

A

D

D

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D

D

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V

I

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M

M

I

I

A

A

P

P

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K

A

A

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P

G

G

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T

T

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V

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R

S

S

E

E

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F

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R

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P

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D

L

L

I

I

A

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Y

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D

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A

A

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S

G

G

N

N

A

A

R

K

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N

V

L

A

A

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L

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S

Y

Y

A

A

C

C

G

G

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V

G

G

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R

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I

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F

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K

D

D

E

E

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T

E

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T

D
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D

L

L

F

F

G

G

E
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E

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A

A

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L

C

C

G

G

C

C

V

V

E

E

L

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A

A

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G

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F

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T

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L

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V

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E

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Y

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E

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M

A

A

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E

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C

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L

H

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E

L

L

K

K

L

L

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I

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V

D

D

L

L

M

M

F

F

E

E

G

G

I

I

A

A

N

N

M

M

N

N

Y

Y

S

S

I

I

S

S

N

N

A

A

E

E

Y

Y

G

G

E

E

Y

Y

V

V

T

T

G

G

P

P

E

E

V

V

I

I

N

N

A

E

E

Q

S

S

R

R

A

Q

A

A

M

M

R

R

N

N

A

A

L

L

K

K

R

R

I

I

Q

Q

D

D

G

G

E

E

Y

Y

A

A

K

K

M

M

F

F

I

I

T

T

E

E

G

G

A

A

N

N

Y

Y

P

P

S

S

M

M

T

T

A

A

Y

Y

R

R

N

N

A

A

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H

G

Q

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I

E

E

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V

G

G

E

E

K

K

L

L

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A

T

M

M

P

P

W

W

I

I

A

A

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

8upqB Campylobacter jejuni ketol-acid reductoisomerase in complex with 2,3- dihydroxy-3-isovalerate.
64% identity, 100% coverage: 1:338/338 of query aligns to 2:339/342 of 8upqB

query
sites
8upqB

M

I

K

T

V

V

S

Y

Y

Y

D

D

K

K

D

D

C

C

D

D

L

L

S

N

I

L

I

I

Q

K

G

S

K

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

C

M

N

N

L

L

K

R

D

D

S

N

G

G

V

V

D

N

V

V

T

T

V

I

G

G

L

L

R

R

P

E

G

G

S

S

S

V

S

S

I

A

A

V

K

K

A

A

E

K

A

N

H

A

G

G

L

F

K

E

V

V

S

M

D

S

V

V

P

S

A

E

A

A

V

S

A

K

A

I

A

A

D

D

L

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V

I

M

M

I

I

L

L

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P

P

D

D

E

E

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Q

G

A

R

D

L

I

Y

F

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N

D

V

E

E

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P

N

N

L

L

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S

Q

E

G

G

A

K

T

A

L

I

A

A

F

F

A

A

H

H

G

G

F

F

S

N

I

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H

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N

G

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Q

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I

V

V

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V

R

P

A

K

D

G

L

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D

D

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V

I

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M

M

I

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A

A

P

P

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K

A
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A

P
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P

G

G

H

H

T

T

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V

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R

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N

E

E

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F

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T

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L

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G

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P

D

C

L

L

I

I

A

A

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Q

D

D

A

E

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S

G

K

N

N

A

A

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N

N

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L

A

A

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S

Y

Y

A

A

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S

G

A

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I

G

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I

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E

E

T

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F

F

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K

D

A

E

E

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T

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T

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|
D

L

L

F

F

G

G

E
|
E

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Q

A

A

V

V

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L

C

C

G

G

C

L

V

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E

A

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A

A

G

G

F

F

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E

T

T

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L

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V

E

E

A

A

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Y

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E

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P

E

E

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M

A

A

Y

Y

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F

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E
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E

L

M

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K

L

L

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I

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V

D

D

L

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F

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E

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G

G

I

I

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A

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D

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I

I

S
|
S

N

N

N

T

A
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A

E

E

Y

Y

G

G

E

D

Y

Y

V

I

T

T

G

G

P

P

E

K

V

I

I

I

N

T

A

E

E

E

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T

R

K

A

K

A

A

M

M

R

K

N

G

A

V

L

L

K

K

R

D

I

I

Q

Q

D

N

G

G

E

V

Y

F

A

A

K

K

M

D

F

F

I

I

T

L

E

E

G

R

A

R

A

A

N

G

Y

F

P

A

S

R

M

M

T

H

A

A

Y

E

R

R

R

K

N

N

N

M

A

N

A

D

H

S

G

L

I

I

E

E

V

K

V

T

G

G

E

R

K

N

L

L

R

R

A

A

M

M

P

P

W

W

I

I

A

S

A

A

N

K

K

K

I

L

V

V

D

D

K

A

S

D

K

K

N

N

binding magnesium ion: D191 (= D190), E195 (= E194)
binding (2R)-2,3-dihydroxy-3-methylbutanoic acid: A132 (= A131), P133 (= P132), D191 (= D190), E195 (= E194), E231 (= E230), S252 (= S251), A255 (= A254)

7rduA Crystal structure of campylobacter jejuni keto said reductoisomerase in complex with magnesium and oxidixized and reduced NADPH
64% identity, 97% coverage: 1:328/338 of query aligns to 2:329/329 of 7rduA

query
sites
7rduA

M

I

K

T

V

V

S

Y

Y

Y

D

D

K

K

D

D

C

C

D

D

L

L

S

N

I

L

I

I

Q

K

G

S

K

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

C

M

N

N

L

L

K

R

D

D

S

N

G

G

V

V

D

N

V

V

T

T

V

I

G

G

L

L

R
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R

P

E

G

G

S
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S

S

V

S
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S

I

A

A

V

K

K

A

A

E

K

A

N

H

A

G

G

L

F

K

E

V

V

S

M

D

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S

A

E

A

A

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S

A

K

A

I

A

A

D

D

L

V

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I

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M

I

I

L
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L

T
x
A

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P

D
|
D

E

E

F

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Q

Q

G

A

R

D

L
x
I

Y

F

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N

D

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E

E

V

I

E

K

P

P

N

N

L

L

K

S

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E

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G

A

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T

A

L

I

A

A

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A
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H
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H

G

G

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F

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I

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H

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Y

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Q

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I

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R

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A

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D

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L

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D

D

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V

I

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M

M

I

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A

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P

K
|
K

A
|
A

P

P

G

G

H

H

T

T

V

V

R

R

S

N

E

E

F

F

V

T

K

L

G

G

I

T

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P

D

C

L

L

I

I

A

A

I

I

Y

H

Q

Q

D

D

A

E

S

S

G

K

N

N

A

A

R

K

N

N

V

L

A

A

L

L

S

S

Y

Y

A

A

C

S

G

A

V

I

G

G

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R

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T

G

G

I

I

E

E

T

T

F

F

K

K

D

A

E

E

T

T

E

E

T

T

D

D

L

L

F

F

G

G

E

E

Q

Q

A

A

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V

L

L

C

C

G

G

C

L

V

S

E

A

L

L

V

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

A

E

P

P

E

E

M

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

V

V

D

D

L

L

M

I

F

Y

E

Q

G

G

I

I

A

A

N

D

M

M

N

R

Y

Y

S

S

I

I

S

S

N

N

N

T

A

A

E

E

Y

Y

G

G

E

D

Y

Y

V

I

T

T

G

G

P

P

E

K

V

I

I

I

N

T

A

E

E

E

S

T

R

K

A

K

A

A

M

M

R

K

N

G

A

V

L

L

K

K

R

D

I

I

Q

Q

D

N

G

G

E

V

Y

F

A

A

K

K

M

D

F

F

I

I

T

L

E

E

G

R

A

R

A

A

N

G

Y

F

P

A

S

R

M

M

T

H

A

A

Y

E

R

R

R

K

N

N

N

M

A

N

A

D

H

S

G

L

I

I

E

E

V

K

V

T

G

G

E

R

K

N

L

L

R

R

A

A

M

M

P

P

W

W

I

I

A

S

binding nadp nicotinamide-adenine-dinucleotide phosphate: G24 (= G23), G26 (= G25), S27 (= S26), Q28 (= Q27), R48 (= R47), S51 (= S50), S53 (= S52), A81 (≠ T80), P82 (= P81), D83 (= D82), I89 (≠ L88), A107 (= A106), H108 (= H107), P130 (= P129), K131 (= K130), A132 (= A131)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G24 (= G23), F25 (≠ Y24), G26 (= G25), S27 (= S26), Q28 (= Q27), S51 (= S50), S53 (= S52), L80 (= L79), P82 (= P81), D83 (= D82), I89 (≠ L88), A107 (= A106), H108 (= H107)

8uppA Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and hoe704
64% identity, 97% coverage: 1:327/338 of query aligns to 1:327/327 of 8uppA

query
sites
8uppA

M

I

K

T

V

V

S

Y

Y

Y

D

D

K

K

D

D

C

C

D

D

L

L

S

N

I

L

I

I

Q

K

G

S

K

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

C

M

N

N

L

L

K

R

D

D

S

N

G

G

V

V

D

N

V

V

T

T

V

I

G

G

L

L

R
|
R

P

E

G

G

S
|
S

S

V

S

S

I

A

A

V

K

K

A

A

E

K

A

N

H

A

G

G

L

F

K

E

V

V

S

M

D

S

V

V

P

S

A

E

A

A

V

S

A

K

A

I

A

A

D

D

L

V

V

I

M

M

I

I

L
|
L

T

A

P
|
P

D
|
D

E

E

F
x
I

Q
|
Q

G

A

R

D

L
x
I

Y

F

K

N

D

V

E

E

V

I

E

K

P

P

N

N

L

L

K

S

Q

E

G

G

A

K

T

A

L

I

A

A

F

F

A

A

H
|
H

G

G

F

F

S

N

I

I

H

H

Y

Y

N

G

Q

Q

V

I

V

V

P

V

R

P

A

K

D

G

L

V

D

D

V

V

I

I

M

M

I

I

A

A

P

P

K

K

A
|
A

P
|
P

G

G

H

H

T

T

V

V

R

R

S

N

E

E

F

F

V

T

K

L

G

G

I

T

P

P

D

C

L

L

I

I

A

A

I

I

Y

H

Q

Q

D

D

A

E

S

S

G

K

N

N

A

A

R

K

N

N

V

L

A

A

L

L

S

S

Y

Y

A

A

C

S

G

A

V

I

G

G

R

R

T

T

G

G

I

I

E

E

T

T

F

F

K

K

D

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

C

L

V

S

E

A

L

L

V

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

A

E

P

P

E

E

M

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

V

V

D

D

L

L

M

I

F

Y

E

Q

G

G

I

I

A

A

N

D

M

M

N

R

Y

Y

S

S

I
|
I

S
|
S

N

N

N

T

A
|
A

E

E

Y

Y

G

G

E

D

Y

Y

V

I

T

T

G

G

P

P

E

K

V

I

I

I

N

T

A

E

E

E

S

T

R

K

A

K

A

A

M

M

R

K

N

G

A

V

L

L

K

K

R

D

I

I

Q

Q

D

N

G

G

E

V

Y

F

A

A

K

K

M

D

F

F

I

I

T

L

E

E

G

R

A

R

A

A

N

G

Y

F

P

A

S

R

M

M

T

H

A

A

Y

E

R

R

R

K

N

N

N

M

A

N

A

D

H

S

G

L

I

I

E

E

V

K

V

T

G

G

E

R

K

N

L

L

R

R

A

A

M

M

P

P

W

W

I

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 (≠ F84), Q85 (= Q85), I88 (≠ L88), H107 (= H107), P132 (= P132), I250 (= I250), S251 (= S251)
binding (2R)-(dimethylphosphoryl)(hydroxy)acetic acid: A131 (= A131), 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+
64% identity, 97% coverage: 1:327/338 of query aligns to 1:327/327 of 8sxdA

query
sites
8sxdA

M

I

K

T

V

V

S

Y

Y

Y

D

D

K

K

D

D

C

C

D

D

L

L

S

N

I

L

I

I

Q

K

G

S

K

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

C

M

N

N

L

L

K

R

D

D

S

N

G

G

V

V

D

N

V

V

T

T

V

I

G

G

L

L

R

R

P

E

G

G

S
|
S

S

V

S
|
S

I

A

A

V

K

K

A

A

E

K

A

N

H

A

G

G

L

F

K

E

V

V

S

M

D

S

V

V

P

S

A

E

A

A

V

S

A

K

A

I

A

A

D

D

L

V

V

I

M

M

I

I

L
|
L

T
x
A

P
|
P

D
|
D

E

E

F

I

Q

Q

G

A

R

D

L

I

Y

F

K

N

D

V

E

E

V

I

E

K

P

P

N

N

L

L

K

S

Q

E

G

G

A

K

T

A

L

I

A

A

F

F

A

A

H

H

G

G

F

F

S

N

I

I

H

H

Y

Y

N

G

Q

Q

V

I

V

V

P

V

R

P

A

K

D

G

L

V

D

D

V

V

I

I

M

M

I

I

A

A

P
|
P

K

K

A

A

P

P

G

G

H

H

T

T

V

V

R

R

S

N

E

E

F

F

V

T

K

L

G

G

I

T

P

P

D

C

L

L

I

I

A

A

I

I

Y

H

Q

Q

D

D

A

E

S

S

G

K

N

N

A

A

R

K

N

N

V

L

A

A

L

L

S

S

Y

Y

A

A

C

S

G

A

V

I

G

G

R

R

T

T

G

G

I

I

E

E

T

T

F

F

K

K

D

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

C

L

V

S

E

A

L

L

V

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

A

E

P

P

E

E

M

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

V

V

D

D

L

L

M

I

F

Y

E

Q

G

G

I

I

A

A

N

D

M

M

N

R

Y

Y

S

S

I

I

S

S

N

N

N

T

A

A

E

E

Y

Y

G

G

E

D

Y

Y

V

I

T

T

G

G

P

P

E

K

V

I

I

I

N

T

A

E

E

E

S

T

R

K

A

K

A

A

M

M

R

K

N

G

A

V

L

L

K

K

R

D

I

I

Q

Q

D

N

G

G

E

V

Y

F

A

A

K

K

M

D

F

F

I

I

T

L

E

E

G

R

A

R

A

A

N

G

Y

F

P

A

S

R

M

M

T

H

A

A

Y

E

R

R

R

K

N

N

N

M

A

N

A

D

H

S

G

L

I

I

E

E

V

K

V

T

G

G

E

R

K

N

L

L

R

R

A

A

M

M

P

P

W

W

I

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 (= S52), L79 (= L79), A80 (≠ T80), 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
65% identity, 95% coverage: 5:326/338 of query aligns to 2:323/323 of 8swmA

query
sites
8swmA

Y

Y

D

D

K

K

D

D

C

C

D

D

L

L

S

N

I

L

I

I

Q

K

G

S

K

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

C

M

N

N

L

L

K

R

D

D

S

N

G

G

V

V

D

N

V

V

T

T

V

I

G

G

L

L

R

R

P

E

G

G

S

S

S

V

S

S

I

A

A

V

K

K

A

A

E

K

A

N

H

A

G

G

L

F

K

E

V

V

S

M

D

S

V

V

P

S

A

E

A

A

V

S

A

K

A

I

A

A

D

D

L

V

V

I

M

M

I

I

L

L

T

A

P

P

D

D

E

E

F

I

Q

Q

G

A

R

D

L

I

Y

F

K

N

D

V

E

E

V

I

E

K

P

P

N

N

L

L

K

S

Q

E

G

G

A

K

T

A

L

I

A

A

F

F

A

A

H

H

G

G

F

F

S

N

I

I

H

H

Y

Y

N

G

Q

Q

V

I

V

V

P

V

R

P

A

K

D

G

L

V

D

D

V

V

I

I

M

M

I

I

A

A

P

P

K

K

A

A

P

P

G

G

H

H

T

T

V

V

R

R

S

N

E

E

F

F

V

T

K

L

G

G

I

T

P

P

D

C

L

L

I

I

A

A

I

I

Y

H

Q

Q

D

D

A

E

S

S

G

K

N

N

A

A

R

K

N

N

V

L

A

A

L

L

S

S

Y

Y

A

A

C

S

G

A

V

I

G

G

R

R

T

T

G

G

I

I

E

E

T

T

F

F

K

K

D

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

C

L

V

S

E

A

L

L

V

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

A

E

P

P

E

E

M

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

V

V

D

D

L

L

M

I

F

Y

E

Q

G

G

I

I

A

A

N

D

M

M

N

R

Y

Y

S

S

I

I

S

S

N

N

N

T

A

A

E

E

Y

Y

G

G

E

D

Y

Y

V

I

T

T

G

G

P

P

E

K

V

I

I

I

N

T

A

E

E

E

S

T

R

K

A

K

A

A

M

M

R

K

N

G

A

V

L

L

K

K

R

D

I

I

Q

Q

D

N

G

G

E

V

Y

F

A

A

K

K

M

D

F

F

I

I

T

L

E

E

G

R

A

R

A

A

N

G

Y

F

P

A

S

R

M

M

T

H

A

A

Y

E

R

R

R

K

N

N

N

M

A

N

A

D

H

S

G

L

I

I

E

E

V

K

V

T

G

G

E

R

K

N

L

L

R

R

A

A

M

M

P

P

W

W

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

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)
59% identity, 97% coverage: 1:327/338 of query aligns to 12:338/342 of D0WGK0

query
sites
D0WGK0

M

V

K

T

V

I

S

L

Y

Y

D

E

K

Q

D

D

C

V

D

D

L

P

S

K

I

V

I

I

Q

Q

G

G

K

L

K

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

C

L

N

N

L

L

K

M

D

D

S

S

G

G

V

V

D

D

V

V

T

R

V

V

G

G

L

L

R
|
R

P

E

G

G

S
|
S

S

S

S
|
S

I

W

A

K

K

T

A

A

E

E

A

E

H

A

G

G

L

L

K

K

V

V

S

T

D

D

V

M

P

D

A

T

A

A

V

A

A

E

A

A

D

D

L

V

V

I

M

M

I

V

L

L

T

V

P

P

D
|
D

E
|
E

F
x
I

Q
|
Q

G

P

R

K

L

V

Y

Y

K

Q

D

E

E

H

V

I

E

A

P

A

N

H

L

L

K

K

Q

A

G

G

A

N

T

T

L

L

A

A

F

F

A

A

H

H

G

G

F

F

S

N

I

I

H

H

Y

Y

N

G

Q

Y

V

I

V

V

P

P

R

P

A

E

D

D

L

V

D

N

V

V

I

I

M

M

I

C

A

A

P

P

K

K

A

G

P

P

G
|
G

H

H

T

I

V

V

R

R

S

R

E

Q

F

F

V

T

K

E

G

G

G

S

G

G

I

V

P

P

D

D

L

L

I

A

A

C

I

V

Y

Q

Q

Q

D

D

A

A

S

T

G

G

N

N

A

A

R

W

N

D

V

I

A

V

L

L

S

S

Y

Y

A

C

C

W

G

G

V

V

G

G

G

A

R

R

T

S

G

G

I

I

E

K

T

A

T

T

F

F

K

A

D

E

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

C

L

V

V

E

E

L

L

V

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

A

P

P

P

E

E

M

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

V

V

D

D

L

L

M

M

F

Y

E

E

G

S

G

G

I

I

A

H

N

F

M

M

N

N

Y

Y

S

S

I

I

S
|
S

N

N

N

T

A

A

E

E

Y

Y

G

G

E

E

Y

Y

V

Y

T

A

G

G

P

P

E

K

V

V

I

I

N

N

A

E

E

Q

S

S

R

R

A

E

A

A

M

M

R

K

N

E

A

I

L

L

K

K

R

R

I

I

Q

Q

D

D

G

G

E

S

Y

F

A

A

K

Q

M

E

F

F

I

V

T

D

E

D

G

C

A

N

N

G

Y

H

P

K

S

R

M

L

T

L

A

E

Y

Q

R

R

R

E

N

A

N

I

A

N

A

T

H

H

G

P

I

I

E

E

V

T

G

G

E

A

K

Q

L

I

R

R

A

S

M

M

M

F

P

S

W

W

I

I

YGSQ 35:38 (= YGSQ 24:27) binding NADP(+)
R58 (= R47) binding NADP(+)
S61 (= S50) 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 (= S52) 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 (≠ DEFQ 82:85) binding NADP(+)
G144 (= G133) binding NADP(+)
D201 (= D190) binding Mg(2+)
E205 (= E194) binding Mg(2+)
S262 (= S251) binding substrate

8cy8A Apo form cryo-em structure of campylobacter jejune ketol-acid reductoisommerase crosslinked by glutaraldehyde
61% identity, 97% coverage: 1:328/338 of query aligns to 1:312/312 of 8cy8A

query
sites
8cy8A

M

I

K

T

V

V

S

Y

Y

Y

D

D

K

K

D

D

C

C

D

D

L

L

S

N

I

L

I

I

Q

K

G

S

K

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

C

M

N

N

L

L

K

R

D

D

S

N

G

G

V

V

D

N

V

V

T

T

V

I

G

G

L

L

R

R

P

N

G

A

S

-

I

-

A

-

K

-

A

-

E

-

A

-

H

-

G

G

L

F

K

E

V

V

S

M

D

S

V

V

P

S

A

E

A

A

V

S

A

K

A

I

A

A

D

D

L

V

V

I

M

M

I

I

L

L

T

A

P

P

D

D

E

E

F

I

Q

Q

G

A

R

D

L

I

Y

F

K

N

D

V

E

E

V

I

E

K

P

P

N

N

L

L

K

S

Q

E

G

G

A

K

T

A

L

I

A

A

F

F

A

A

H

H

G

G

F

F

S

N

I

I

H

H

Y

Y

N

G

Q

Q

V

I

V

V

P

V

R

P

A

K

D

G

L

V

D

D

V

V

I

I

M

M

I

I

A

A

P

P

K

K

A

A

P

P

G

G

H

H

T

T

V

V

R

R

S

N

E

E

F

-

V

-

K

-

G

-

I

T

P

P

D

C

L

L

I

I

A

A

I

I

Y

H

Q

Q

D

D

A

E

S

S

G

K

N

N

A

A

R

K

N

N

V

L

A

A

L

L

S

S

Y

Y

A

A

C

S

G

A

V

I

G

G

R

R

T

T

G

G

I

I

E

E

T

T

F

F

K

K

D

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

C

L

V

S

E

A

L

L

V

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

A

E

P

P

E

E

M

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

V

V

D

D

L

L

M

I

F

Y

E

Q

G

G

I

I

A

A

N

D

M

M

N

R

Y

Y

S

S

I

I

S

S

N

N

N

T

A

A

E

E

Y

Y

G

G

E

D

Y

Y

V

I

T

T

G

G

P

P

E

K

V

I

I

I

N

T

A

E

E

E

S

T

R

K

A

K

A

A

M

M

R

K

N

G

A

V

L

L

K

K

R

D

I

I

Q

Q

D

N

G

G

E

V

Y

F

A

A

K

K

M

D

F

F

I

I

T

L

E

E

G

R

A

R

A

A

N

G

Y

F

P

A

S

R

M

M

T

H

A

A

Y

E

R

R

R

K

N

N

N

M

A

N

A

D

H

S

G

L

I

I

E

E

V

K

V

T

G

G

E

R

K

N

L

L

R

R

A

A

M

M

P

P

W

W

I

I

A

S

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

4kqwA The structure of the slackia exigua kari in complex with NADP (see paper)
60% identity, 96% coverage: 3:327/338 of query aligns to 2:326/326 of 4kqwA

query
sites
4kqwA

V

I

S

L

Y

Y

D

E

K

Q

D

D

C

V

D

D

L

P

S

K

I

V

I

I

Q

Q

G

G

K

L

K

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

C

L

N

N

L

L

K

M

D

D

S

S

G

G

V

V

D

D

V

V

T

R

V

V

G

G

L

L

R
|
R

P

E

G

G

S
|
S

S

S

S
|
S

I

W

A

K

K

T

A

A

E

E

A

E

H

A

G

G

L

L

K

K

V

V

S

T

D

D

V

M

P

D

A

T

A

A

V

A

A

E

A

A

D

D

L

V

V

I

M

M

I

V

L
|
L

T
x
V

P
|
P

D
|
D

E

E

F
x
I

Q
|
Q

G

P

R

K

L

V

Y

Y

K

Q

D

E

E

H

V

I

E

A

P

A

N

H

L

L

K

K

Q

A

G

G

A

N

T

T

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

S

N

I

I

H

H

Y

Y

N

G

Q

Y

V

I

V

V

P

P

R

P

A

E

D

D

L

V

D

N

V

V

I

I

M

M

I

C

A

A

P

P

K
|
K

A

G

P
|
P

G

G

H

H

T

I

V

V

R

R

S

R

E

Q

F

F

V

T

K

E

G

G

G

S

G

G

I

V

P

P

D

D

L

L

I

A

A

C

I

V

Y

Q

Q

Q

D

D

A

A

S

T

G

G

N

N

A

A

R

W

N

D

V

I

A

V

L

L

S

S

Y

Y

A

C

C

W

G

G

V

V

G

G

G

A

R

R

T

S

G

G

I

I

E

K

T

A

T

T

F

F

K

A

D

E

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

C

L

V

V

E

E

L

L

V

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

A

P

P

P

E

E

M

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

V

V

D

D

L

L

M

M

F

Y

E

E

G

S

G

G

I

I

A

H

N

F

M

M

N

N

Y

Y

S

S

I
|
I

S
|
S

N

N

N

T

A

A

E

E

Y

Y

G

G

E

E

Y

Y

V

Y

T

A

G

G

P

P

E

K

V

V

I

I

N

N

A

E

E

Q

S

S

R

R

A

E

A

A

M

M

R

K

N

E

A

I

L

L

K

K

R

R

I

I

Q

Q

D

D

G

G

E

S

Y

F

A

A

K

Q

M

E

F

F

I

V

T

D

E

D

G

C

A

N

N

G

Y

H

P

K

S

R

M

L

T

L

A

E

Y

Q

R

R

R

E

N

A

N

I

A

N

A

T

H

H

G

P

I

I

E

E

V

T

G

G

E

A

K

Q

L

I

R

R

A

S

M

M

M

F

P

S

W

W

I

I

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Y23 (= Y24), G24 (= G25), S25 (= S26), Q26 (= Q27), R46 (= R47), S49 (= S50), S51 (= S52), L78 (= L79), V79 (≠ T80), P80 (= P81), D81 (= D82), I83 (≠ F84), Q84 (= Q85), H106 (= H107), P131 (= P132), I249 (= I250), S250 (= S251)

4kqxB Mutant slackia exigua kari ddv in complex with NAD and an inhibitor (see paper)
59% identity, 97% coverage: 1:327/338 of query aligns to 3:329/335 of 4kqxB

query
sites
4kqxB

M

V

K

T

V

I

S

L

Y

Y

D

E

K

Q

D

D

C

V

D

D

L

P

S

K

I

V

I

I

Q

Q

G

G

K

L

K

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

C

L

N

N

L

L

K

M

D

D

S

S

G

G

V

V

D

D

V

V

T

R

V

V

G

G

L

L

R
|
R

P

E

G

G

S

D

S

S

S

D

I

W

A

K

K

T

A

A

E

E

A

E

H

A

G

G

L

L

K

K

V

V

S

T

D

D

V

M

P

D

A

T

A

A

V
x
A

A
x
E

A

E

A
|
A

D

D

L

V

V

I

M

M

I

V

L
|
L

T
x
V

P
|
P

D
|
D

E

E

F

V

Q

Q

G

P

R

K

L
x
V

Y

Y

K

Q

D

E

E

H

V

I

E

A

P

A

N

H

L

L

K

K

Q

A

G

G

A
x
N

T

T

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

S

N

I

I

H

H

Y

Y

N

G

Q

Y

V

I

V

V

P

P

R

P

A

E

D

D

L

V

D

N

V

V

I

I

M

M

I

C

A

A

P

P

K
|
K

A

G

P
|
P

G

G

H

H

T

I

V

V

R

R

S

R

E

Q

F

F

V

T

K

E

G

G

G

S

G

G

I

V

P

P

D

D

L

L

I

A

A

C

I

V

Y

Q

Q

Q

D

D

A

A

S

T

G

G

N

N

A

A

R

W

N

D

V

I

A

V

L

L

S

S

Y

Y

A

C

C

W

G

G

V

V

G

G

G

A

R

R

T

S

G

G

I

I

E

K

T

A

T

T

F

F

K

A

D

E

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

C

L

V

V

E

E

L

L

V

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

A

P

P

P

E

E

M

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

V

V

D

D

L

L

M

M

F

Y

E

E

G

S

G

G

I

I

A

H

N

F

M

M

N
|
N

Y

Y

S
|
S

I
|
I

S
|
S

N
|
N

N

T

A
|
A

E
|
E

Y

Y

G

G

E

E

Y

Y

V

Y

T

A

G

G

P

P

E

K

V

V

I

I

N

N

A

E

E

Q

S

S

R

R

A

E

A

A

M

M

R

K

N

E

A

I

L

L

K

K

R

R

I

I

Q

Q

D

D

G

G

E

S

Y

F

A

A

K

Q

M

E

F

F

I

V

T

D

E

D

G

C

A

N

N

G

Y

H

P

K

S

R

M

L

T

L

A

E

Y

Q

R

R

R

E

N

A

N

I

A

N

A

T

H

H

G

P

I

I

E

E

V

T

G

G

E

A

K

Q

L

I

R

R

A

S

M

M

M

F

P

S

W

W

I

I

active site: K132 (= K130), D192 (= D190), E196 (= E194)
binding n-hydroxy-n-isopropyloxamic acid: P134 (= P132), D192 (= D190), E196 (= E194), E232 (= E230), I252 (= I250), S253 (= S251), A256 (= A254)
binding magnesium ion: G27 (= G25), Q29 (= Q27), G30 (= G28), A72 (≠ V70), E73 (≠ A71), A75 (= A73), L81 (= L79), N103 (≠ A101), D192 (= D190), E196 (= E194), N249 (= N247), S251 (= S249), I252 (= I250), I252 (= I250), S253 (= S251), N254 (= N252), E257 (= E255)
binding nicotinamide-adenine-dinucleotide: Y26 (= Y24), G27 (= G25), S28 (= S26), Q29 (= Q27), R49 (= R47), L81 (= L79), V82 (≠ T80), P83 (= P81), D84 (= D82), V90 (≠ L88), H109 (= H107), P134 (= P132), S251 (= S249), I252 (= I250), S253 (= S251)

Sites not aligning to the query:

binding histidine: 333, 334, 335

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)
58% identity, 98% coverage: 2:331/338 of query aligns to 3:331/344 of C8WR67

query
sites
C8WR67

K

K

V

I

S

Y

Y

Y

D

D

K

A

D

D

C

I

D

S

L

I

S

Q

I

P

I

L

Q

A

G

D

K

K

K

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

C

Q

N

N

L

L

K

R

D

D

S

S

G

G

V

F

D

D

V

V

T

V

V

I

G

G

L

L

R
|
R

P

P

G

G

S

S

S
|
S

S

-

I

W

A

A

K

K

A

A

E

E

A

A

H

D

G

G

L

F

K

R

V

V

S

M

D

A

V

V

P

G

A

E

A

A

V

V

A

E

A

S

D

D

L

V

V

I

M

M

I

I

L

L

T

L

P

P

D
|
D

E
|
E

F
x
R

Q
|
Q

G

P

R

A

L

V

Y

Y

K

E

D

R

E

E

V

I

E

R

P

P

N

Y

L

L

K

T

Q

A

G

G

A

K

T

A

L

L

A

A

F

F

A

A

H

H

G

G

F

F

S

N

I

I

H

H

Y

F

N

S

Q

Q

V

I

V

Q

P

P

R

P

A

K

D

D

L

V

D

D

V

V

I

F

M

M

I

V

A

A

P

P

K

K

A

G

P

P

G
|
G

H

H

T

L

V

V

R

R

S

R

E

V

F

Y

V

E

K

A

G

G

I

V

P

P

D

A

L

L

I

I

A

A

I

V

Y

H

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

R

K

N

D

V

L

A

A

L

L

S

A

Y

Y

A

A

C

R

G

G

V

I

G

G

G

A

G

G

R

R

T

A

G

G

I

I

I

L

E

T

T

T

F

F

K

R

D

E

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

C

L

V

S

E

A

L

L

V

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

A

Q

P

P

E

E

M

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

V

V

D

D

L

L

M

I

F

Y

E

E

G

G

I

L

A

E

N

Y

M

M

N

R

Y

Y

S

S

I

I

S

S

N

D

N

T

A

A

E

Q

Y

W

G

G

E

D

Y

F

V

T

T

S

G

G

P

P

E

R

V

I

I

I

N

N

A

E

E

E

S

T

R

K

A

K

A

E

M

M

R

R

N

R

A

I

L

L

K

A

R

D

I

I

Q

Q

D

S

G

G

E

A

Y

F

A

A

K

K

M

S

F

W

I

I

T

L

E

E

G

N

A

Q

A

A

N

N

Y

R

P

P

S

M

M

F

T

N

A

A

Y

I

R

N

R

R

N

R

N

E

A

L

A

E

H

H

G

P

I

I

E

E

V

V

G

G

E

R

K

K

L

L

R

R

A

S

M

M

P

P

W

F

I

I

A

K

A

A

N

K

K

R

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 (= S51) binding NADP(+); mutation to D: Inversion of the cofactor specificity from NADPH to NADH.
DERQ 82:85 (≠ DEFQ 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)
58% identity, 98% coverage: 2:331/338 of query aligns to 2:330/333 of 4tskA

query
sites
4tskA

K

K

V

I

S

Y

Y

Y

D

D

K

A

D

D

C

I

D

S

L

I

S

Q

I

P

I

L

Q

A

G

D

K

K

K

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

C

Q

N

N

L

L

K

R

D

D

S

S

G

G

V

F

D

D

V

V

T

V

V

I

G

G

L
|
L

R
|
R

P

P

G

G

S

S

S
|
S

S

W

I

-

A

A

K

K

A

A

E

E

A

A

H

D

G

G

L

F

K

R

V

V

S

M

D

A

V

V

P

G

A

E

A

A

V

V

A

E

A

S

D

D

L

V

V

I

M

M

I

I

L
|
L

T
x
L

P
|
P

D
|
D

E

E

F

R

Q

Q

G

P

R

A

L

V

Y

Y

K

E

D

R

E

E

V

I

E

R

P

P

N

Y

L

L

K

T

Q

A

G

G

A

K

T

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

S

N

I

I

H

H

Y

F

N

S

Q

Q

V

I

V

Q

P

P

R

P

A

K

D

D

L

V

D

D

V

V

I

F

M

M

I

V

A

A

P

P

K
|
K

A

G

P
|
P

G

G

H

H

T

L

V

V

R

R

S

R

E

V

F

Y

V

E

K

A

G

G

I

V

P

P

D

A

L

L

I

I

A

A

I

V

Y

H

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

R

K

N

D

V

L

A

A

L

L

S

A

Y

Y

A

A

C

R

G

G

V

I

G

G

G

A

G

G

R

R

T

A

G

G

I

I

I

L

E

T

T

T

F

F

K

R

D

E

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

C

L

V

S

E

A

L

L

V

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

A

Q

P

P

E

E

M

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

V

V

D

D

L

L

M

I

F

Y

E

E

G

G

I

L

A

E

N

Y

M

M

N
x
R

Y
|
Y

S

S

I
|
I

S

S

N
x
D

N

T

A

A

E
x
Q

Y

W

G

G

E

D

Y

F

V

T

T

S

G

G

P

P

E

R

V

I

I

I

N

N

A

E

E

E

S

T

R

K

A

K

A

E

M

M

R

R

N

R

A

I

L

L

K

A

R

D

I

I

Q

Q

D

S

G

G

E

A

Y

F

A

A

K

K

M

S

F

W

I

I

T

L

E

E

G

N

A

Q

A

A

N

N

Y

R

P

P

S

M

M

F

T

N

A

A

Y

I

R

N

R

R

N

R

N

E

A

L

A

E

H

H

G

P

I

I

E

E

V

V

G

G

E

R

K

K

L

L

R

R

A

S

M

M

P

P

W

F

I

I

A

K

A

A

N

K

K

R

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding magnesium ion: D189 (= D190), D189 (= D190), E193 (= E194), E193 (= E194), R246 (≠ N247), Y247 (= Y248), I249 (= I250), D251 (≠ N252), Q254 (≠ E255)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), L46 (= L46), R47 (= R47), S51 (= S51), L78 (= L79), L79 (≠ T80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132)

P9WKJ7 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 Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
56% identity, 97% coverage: 1:327/338 of query aligns to 3:329/337 of P9WKJ7

query
sites
P9WKJ7

M

L

K

E

V

M

S

F

Y

Y

D

D

K

D

D

D

C

A

D

D

L

L

S

S

I

I

Q

Q

G

G

K

R

K

K

V

V

A

G

I

V

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

S

C

L

N

S

L

L

K

R

D

D

S

S

G

G

V

V

D

Q

V

V

T

R

V

V

G

G

L

L

R

K

P

Q

G

G

S

S

S

R

S

S

I

R

A

P

K

K

A

V

E

E

A

E

H

Q

G

G

L

L

K

D

V

V

S

-

D

D

V

T

P

P

A

A

A

E

V

V

A

A

A

K

-

W

A

A

D

D

L

V

V

V

M

M

I

V

L

L

T

A

P

P

D

D

E

T

F

A

Q

Q

G

A

R

E

L

I

Y

F

K

A

D

G

E

D

V

I

E

E

P

P

N

N

L

L

K

K

Q

P

G

G

A

D

T

A

L

L

A

F

F

F

A

G

H

H

G

G

F

L

S

N

I

V

H

H

Y

F

N

G

Q

L

V

I

V

K

P

P

R

P

A

A

D

D

L

V

D

A

V

V

I

A

M

M

I

V

A

A

P

P

K

K

A

G

P

P

G

G

H

H

T

L

V

V

R

R

S

R

E

Q

F

F

V

V

K

D

G

G

G

K

G

G

I

V

P

P

D

C

L

L

I

V

A

A

I

V

Y

E

Q

Q

D

D

A

P

S

R

G

G

N

D

A

G

R

L

N

A

V

L

A

A

L

L

S

S

Y

Y

A

A

C

K

G

A

V

I

G

G

G

T

R

R

T

A

G

G

I

V

I

I

E

K

T

T

F

F

K

K

D

D

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

T

V

V

L

L

C

C

G

G

C

T

V

E

E

E

L

L

V

V

K

K

A

A

G

G

F

F

E

E

T

V

L

M

V

V

E

E

A

A

G

G

Y

Y

A

P

P

A

E

E

M

L

A

A

Y

Y

F

F

E
|
E

C

V

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

M

M

F

Y

E

E

G

G

I

L

A

A

N

R

M

M

N

Y

Y

Y

S

S

I

V

S

S

N

D

N

T

A

A

E

E

Y

F

G

G

E

G

Y

Y

V

L

T

S

G

G

P

P

E

R

V

V

I

I

N

D

A

A

E

G

S

T

R

K

A

E

A

R

M

M

R

R

N

D

A

I

L

L

K

R

R

E

I

I

Q

Q

D

D

G

G

E

S

Y

F

A

V

K

H

M

K

F

L

I

V

T

A

E

D

G

V

A

E

A

G

N

G

Y

N

P

K

S

Q

M

L

T

E

A

E

Y

L

R

R

N

Q

N

N

A

A

A

E

H

H

G

P

I

I

E

E

V

V

G

G

E

K

K

K

L

L

R

R

A

D

M

L

M

M

P

S

W

W

I

V

D192 (= D190) binding Mg(2+); binding Mg(2+)
E196 (= E194) binding Mg(2+)
E228 (= E226) binding Mg(2+)
E232 (= E230) binding Mg(2+)

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

4ypoA Crystal structure of mycobacterium tuberculosis ketol-acid reductoisomerase in complex with mg2+ (see paper)
57% identity, 96% coverage: 5:327/338 of query aligns to 3:325/325 of 4ypoA

query
sites
4ypoA

Y

Y

D

D

K

D

D

D

C

A

D

D

L

L

S

S

I

I

Q

Q

G

G

K

R

K

K

V

V

A

G

I

V

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

S

C

L

N

S

L

L

K

R

D

D

S

S

G

G

V

V

D

Q

V

V

T

R

V

V

G

G

L

L

R

K

P

Q

G

G

S

S

S

R

S

S

I

R

A

P

K

K

A

V

E

E

A

E

H

Q

G

G

L

L

K

D

V

V

S

-

D

D

V

T

P

P

A

A

A

E

V

V

A

A

A

K

-

W

A

A

D

D

L

V

V

V

M

M

I

V

L

L

T

A

P

P

D

D

E

T

F

A

Q

Q

G

A

R

E

L

I

Y

F

K

A

D

G

E

D

V

I

E

E

P

P

N

N

L

L

K

K

Q

P

G

G

A

D

T

A

L

L

A

F

F

F

A

G

H

H

G

G

F

L

S

N

I

V

H

H

Y

F

N

G

Q

L

V

I

V

K

P

P

R

P

A

A

D

D

L

V

D

A

V

V

I

A

M

M

I

V

A

A

P

P

K
|
K

A

G

P

P

G

G

H

H

T

L

V

V

R

R

S

R

E

Q

F

F

V

V

K

D

G

G

G

K

G

G

I

V

P

P

D

C

L

L

I

V

A

A

I

V

Y

E

Q

Q

D

D

A

P

S

R

G

G

N

D

A

G

R

L

N

A

V

L

A

A

L

L

S

S

Y

Y

A

A

C

K

G

A

V

I

G

G

G

T

R

R

T

A

G

G

I

V

I

I

E

K

T

T

F

F

K

K

D

D

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

T

V

V

L

L

C

C

G

G

C

T

V

E

E

E

L

L

V

V

K

K

A

A

G

G

F

F

E

E

T

V

L

M

V

V

E

E

A

A

G

G

Y

Y

A

P

P

A

E

E

M

L

A

A

Y

Y

F

F

E
|
E

C

V

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

M

M

F

Y

E

E

G

G

I

L

A

A

N

R

M

M

N

Y

Y

Y

S

S

I

V

S

S

N

D

N

T

A

A

E

E

Y

F

G

G

E

G

Y

Y

V

L

T

S

G

G

P

P

E

R

V

V

I

I

N

D

A

A

E

G

S

T

R

K

A

E

A

R

M

M

R

R

N

D

A

I

L

L

K

R

R

E

I

I

Q

Q

D

D

G

G

E

S

Y

F

A

V

K

H

M

K

F

L

I

V

T

A

E

D

G

V

A

E

A

G

N

G

Y

N

P

K

S

Q

M

L

T

E

A

E

Y

L

R

R

N

Q

N

N

A

A

A

E

H

H

G

P

I

I

E

E

V

V

G

G

E

K

K

K

L

L

R

R

A

D

M

L

M

M

P

S

W

W

I

V

active site: K128 (= K130), D188 (= D190), E192 (= E194)
binding magnesium ion: D188 (= D190), E192 (= E194), E224 (= E226), E228 (= E230)

6vo2A Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex with mg, NADPH and inhibitor. (see paper)
57% identity, 96% coverage: 3:327/338 of query aligns to 3:326/326 of 6vo2A

query
sites
6vo2A

V

V

S

Y

Y

Y

D

D

K

Q

D

D

C

V

D

K

L

T

S

D

I

A

I

L

Q

Q

G

G

K

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

C

Q

N

N

L

L

K

K

D

D

S

N

G

G

V

Y

D

D

V

V

T

V

V

I

G

G

L
x
I

R
|
R

P

P

G

G

S

R

S
|
S

S

-

I

F

A

D

K

K

A

A

E

K

A

E

H

D

G

G

L

F

K

D

V

V

S

F

D

P

V

V

P

A

A

E

A

A

V

V

A

K

A

Q

A

A

D

D

L

V

V

I

M

M

I

V

L
|
L

T
x
L

P
|
P

D
|
D

E

E

F

I

Q

Q

G

G

R

D

L

V

Y

Y

K

K

D

N

E

E

V

I

E

E

P

P

N

N

L

L

K

E

Q

K

G

H

A

N

T

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

S

N

I

I

H

H

Y

F

N

G

Q

V

V

I

V

Q

P

P

R

P

A

A

D

D

L

V

D

D

V

V

I

F

M

L

I

V

A

A

P

P

K

K

A
x
G

P
|
P

G

G

H

H

T

L

V

V

R

R

S

R

E

T

F

F

V

V

K

E

G

G

G

S

G

A

I

V

P

P

D

S

L

L

I

F

A

G

I

I

Y

Q

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

R

R

N

N

V

I

A

A

L

L

S

S

Y

Y

A

A

C

K

G

G

V

I

G

G

G

A

G

T

R

R

T

A

G

G

I

V

I

I

E

E

T

T

F

F

K

K

D

E

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

C

V

V

S

E

K

L

L

V

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

A

Q

P

P

E

E

M

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

V

V

D

D

L

L

M

M

F

Y

E

E

G

G

I

M

A

E

N

N

M

V

N

R

Y

Y

S

S

I
|
I

S
|
S

N

N

N

T

A
|
A

E

E

Y

F

G

G

E

D

Y

Y

V

V

T

S

G

G

P

P

E

R

V

V

I

I

N

T

A

P

E

D

S

V

R

K

A

E

A

N

M

M

R

K

N

A

A

V

L

L

K

T

R

D

I

I

Q

Q

D

N

G

G

E

N

Y

F

A

S

K

N

M

R

F

F

I

I

T

E

E

D

G

N

A

K

A

N

N

G

Y

F

P

K

S

E

M

F

T

Y

A

K

Y

L

R

R

R

E

N

E

N

Q

A

H

A

G

H

H

G

Q

I

I

E

E

V

K

V

V

G

G

E

R

K

E

L

L

R

R

A

E

M

M

P

P

W

F

I

I

binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ L46), R47 (= R47), S51 (= S51), L78 (= L79), L79 (≠ T80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132), I249 (= I250), S250 (= S251)
binding 3-(methylsulfonyl)-2-oxopropanoic acid: G130 (≠ A131), 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
57% identity, 96% coverage: 3:327/338 of query aligns to 3:326/326 of 6c5nA

query
sites
6c5nA

V

V

S

Y

Y

Y

D

D

K

Q

D

D

C

V

D

K

L

T

S

D

I

A

I

L

Q

Q

G

G

K

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

C

Q

N

N

L

L

K

K

D

D

S

N

G

G

V

Y

D

D

V

V

T

V

V

I

G

G

L
x
I

R
|
R

P

P

G

G

S

R

S
|
S

S

-

I

F

A

D

K

K

A

A

E

K

A

E

H

D

G

G

L

F

K

D

V

V

S

F

D

P

V

V

P

A

A

E

A

A

V

V

A

K

A

Q

A

A

D

D

L

V

V

I

M

M

I

V

L
|
L

T
x
L

P
|
P

D
|
D

E

E

F

I

Q

Q

G

G

R

D

L

V

Y

Y

K

K

D

N

E

E

V

I

E

E

P

P

N

N

L

L

K

E

Q

K

G

H

A

N

T

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

S

N

I

I

H

H

Y

F

N

G

Q

V

V

I

V

Q

P

P

R

P

A

A

D

D

L

V

D

D

V

V

I

F

M

L

I

V

A

A

P

P

K
|
K

A

G

P
|
P

G

G

H

H

T

L

V

V

R

R

S

R

E

T

F

F

V

V

K

E

G

G

G

S

G

A

I

V

P

P

D

S

L

L

I

F

A

G

I

I

Y

Q

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

R

R

N

N

V

I

A

A

L

L

S

S

Y

Y

A

A

C

K

G

G

V

I

G

G

G

A

G

T

R

R

T

A

G

G

I

V

I

I

E

E

T

T

F

F

K

K

D

E

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

C

V

V

S

E

K

L

L

V

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

A

Q

P

P

E

E

M

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

V

V

D

D

L

L

M

M

F

Y

E

E

G

G

I

M

A

E

N

N

M

V

N

R

Y

Y

S
|
S

I
|
I

S
|
S

N

N

N

T

A
|
A

E

E

Y

F

G

G

E

D

Y

Y

V

V

T

S

G

G

P

P

E

R

V

V

I

I

N

T

A

P

E

D

S

V

R

K

A

E

A

N

M

M

R

K

N

A

A

V

L

L

K

T

R

D

I

I

Q

Q

D

N

G

G

E

N

Y

F

A

S

K

N

M

R

F

F

I

I

T

E

E

D

G

N

A

K

A

N

N

G

Y

F

P

K

S

E

M

F

T

Y

A

K

Y

L

R

R

R

E

N

E

N

Q

A

H

A

G

H

H

G

Q

I

I

E

E

V

K

V

V

G

G

E

R

K

E

L

L

R

R

A

E

M

M

P

P

W

F

I

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 (≠ L46), R47 (= R47), S51 (= S51), L78 (= L79), L79 (≠ T80), 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
57% identity, 96% coverage: 3:327/338 of query aligns to 3:326/326 of 6c55A

query
sites
6c55A

V

V

S

Y

Y

Y

D

D

K

Q

D

D

C

V

D

K

L

T

S

D

I

A

I

L

Q

Q

G

G

K

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

C

Q

N

N

L

L

K

K

D

D

S

N

G

G

V

Y

D

D

V

V

T

V

V

I

G

G

L
x
I

R
|
R

P

P

G

G

S

R

S
|
S

S

-

I

F

A

D

K

K

A

A

E

K

A

E

H

D

G

G

L

F

K

D

V

V

S

F

D

P

V

V

P

A

A

E

A

A

V

V

A

K

A

Q

A

A

D

D

L

V

V

I

M

M

I

V

L

L

T
x
L

P
|
P

D
|
D

E

E

F
x
I

Q

Q

G

G

R

D

L

V

Y

Y

K

K

D

N

E

E

V

I

E

E

P

P

N

N

L

L

K

E

Q

K

G

H

A

N

T

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

S

N

I

I

H

H

Y

F

N

G

Q

V

V

I

V

Q

P

P

R

P

A

A

D

D

L

V

D

D

V

V

I

F

M

L

I

V

A

A

P

P

K
|
K

A

G

P
|
P

G

G

H

H

T

L

V

V

R

R

S

R

E

T

F

F

V

V

K

E

G

G

G

S

G

A

I

V

P

P

D

S

L

L

I

F

A

G

I

I

Y

Q

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

R

R

N

N

V

I

A

A

L

L

S

S

Y

Y

A

A

C

K

G

G

V

I

G

G

G

A

G

T

R

R

T

A

G

G

I

V

I

I

E

E

T

T

F

F

K

K

D

E

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

C

V

V

S

E

K

L

L

V

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

A

Q

P

P

E

E

M

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

V

V

D

D

L

L

M

M

F

Y

E

E

G

G

I

M

A

E

N

N

M

V

N

R

Y

Y

S
|
S

I
|
I

S
|
S

N

N

N

T

A
|
A

E

E

Y

F

G

G

E

D

Y

Y

V

V

T

S

G

G

P

P

E

R

V

V

I

I

N

T

A

P

E

D

S

V

R

K

A

E

A

N

M

M

R

K

N

A

A

V

L

L

K

T

R

D

I

I

Q

Q

D

N

G

G

E

N

Y

F

A

S

K

N

M

R

F

F

I

I

T

E

E

D

G

N

A

K

A

N

N

G

Y

F

P

K

S

E

M

F

T

Y

A

K

Y

L

R

R

R

E

N

E

N

Q

A

H

A

G

H

H

G

Q

I

I

E

E

V

K

V

V

G

G

E

R

K

E

L

L

R

R

A

E

M

M

P

P

W

F

I

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 (≠ L46), R47 (= R47), S51 (= S51), L79 (≠ T80), P80 (= P81), D81 (= D82), I83 (≠ F84), 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)
57% identity, 96% coverage: 3:327/338 of query aligns to 3:326/326 of 6aqjA

query
sites
6aqjA

V

V

S

Y

Y

Y

D

D

K

Q

D

D

C

V

D

K

L

T

S

D

I

A

I

L

Q

Q

G

G

K

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

C

Q

N

N

L

L

K

K

D

D

S

N

G

G

V

Y

D

D

V

V

T

V

V

I

G

G

L
x
I

R
|
R

P

P

G

G

S

R

S
|
S

S

-

I

F

A

D

K

K

A

A

E

K

A

E

H

D

G

G

L

F

K

D

V

V

S

F

D

P

V

V

P

A

A

E

A

A

V

V

A

K

A

Q

A

A

D

D

L

V

V

I

M

M

I

V

L
|
L

T
x
L

P
|
P

D
|
D

E

E

F

I

Q

Q

G

G

R

D

L

V

Y

Y

K

K

D

N

E

E

V

I

E

E

P

P

N

N

L

L

K

E

Q

K

G

H

A

N

T

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

S

N

I

I

H

H

Y

F

N

G

Q

V

V

I

V

Q

P

P

R

P

A

A

D

D

L

V

D

D

V

V

I

F

M

L

I

V

A

A

P

P

K
|
K

A

G

P
|
P

G

G

H

H

T

L

V

V

R

R

S

R

E

T

F

F

V

V

K

E

G

G

G

S

G

A

I

V

P

P

D

S

L

L

I

F

A

G

I

I

Y

Q

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

R

R

N

N

V

I

A

A

L

L

S

S

Y

Y

A

A

C

K

G

G

V

I

G

G

G

A

G

T

R

R

T

A

G

G

I

V

I

I

E

E

T

T

F

F

K

K

D

E

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

C

V

V

S

E

K

L

L

V

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

A

Q

P

P

E

E

M

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

V

V

D

D

L

L

M

M

F

Y

E

E

G

G

I

M

A

E

N

N

M

V

N

R

Y

Y

S

S

I
|
I

S
|
S

N

N

N

T

A
|
A

E

E

Y

F

G

G

E

D

Y

Y

V

V

T

S

G

G

P

P

E

R

V

V

I

I

N

T

A

P

E

D

S

V

R

K

A

E

A

N

M

M

R

K

N

A

A

V

L

L

K

T

R

D

I

I

Q

Q

D

N

G

G

E

N

Y

F

A

S

K

N

M

R

F

F

I

I

T

E

E

D

G

N

A

K

A

N

N

G

Y

F

P

K

S

E

M

F

T

Y

A

K

Y

L

R

R

R

E

N

E

N

Q

A

H

A

G

H

H

G

Q

I

I

E

E

V

K

V

V

G

G

E

R

K

E

L

L

R

R

A

E

M

M

P

P

W

F

I

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 (≠ L46), R47 (= R47), S51 (= S51), L78 (= L79), L79 (≠ T80), 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)
57% identity, 96% coverage: 3:327/338 of query aligns to 3:326/326 of 5w3kA

query
sites
5w3kA

V

V

S

Y

Y

Y

D

D

K

Q

D

D

C

V

D

K

L

T

S

D

I

A

I

L

Q

Q

G

G

K

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

C

Q

N

N

L

L

K

K

D

D

S

N

G

G

V

Y

D

D

V

V

T

V

V

I

G

G

L
x
I

R
|
R

P

P

G

G

S

R

S
|
S

S

-

I

F

A

D

K

K

A

A

E

K

A

E

H

D

G

G

L

F

K

D

V

V

S

F

D

P

V

V

P

A

A

E

A

A

V
|
V

A
x
K

A

Q

A
|
A

D

D

L

V

V

I

M

M

I

V

L
|
L

T
x
L

P
|
P

D
|
D

E

E

F

I

Q

Q

G

G

R

D

L

V

Y

Y

K

K

D

N

E

E

V

I

E

E

P

P

N

N

L

L

K

E

Q

K

G

H

A
x
N

T

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

S

N

I

I

H

H

Y

F

N

G

Q

V

V

I

V

Q

P

P

R

P

A

A

D

D

L

V

D

D

V

V

I

F

M

L

I

V

A

A

P

P

K
|
K

A

G

P
|
P

G
|
G

H

H

T

L

V

V

R

R

S

R

E

T

F

F

V

V

K

E

G

G

G

S

G

A

I

V

P

P

D

S

L

L

I

F

A

G

I

I

Y

Q

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

R

R

N

N

V

I

A

A

L

L

S

S

Y

Y

A

A

C

K

G

G

V

I

G

G

G

A

G

T

R

R

T

A

G

G

I

V

I

I

E

E

T

T

F

F

K

K

D

E

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

C

V

V

S

E

K

L

L

V

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

A

Q

P

P

E

E

M

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

V

V

D

D

L

L

M

M

F

Y

E

E

G

G

I

M

A

E

N

N

M

V

N

R

Y

Y

S

S

I
|
I

S
|
S

N

N

N

T

A
|
A

E

E

Y

F

G

G

E

D

Y

Y

V

V

T

S

G

G

P

P

E

R

V

V

I

I

N

T

A

P

E

D

S

V

R

K

A

E

A

N

M

M

R

K

N

A

A

V

L

L

K

T

R

D

I

I

Q

Q

D

N

G

G

E

N

Y

F

A

S

K

N

M

R

F

F

I

I

T

E

E

D

G

N

A

K

A

N

N

G

Y

F

P

K

S

E

M

F

T

Y

A

K

Y

L

R

R

R

E

N

E

N

Q

A

H

A

G

H

H

G

Q

I

I

E

E

V

K

V

V

G

G

E

R

K

E

L

L

R

R

A

E

M

M

P

P

W

F

I

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 (= V70), K70 (≠ A71), A72 (= A73), N100 (≠ A101), D189 (= D190), E193 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ L46), R47 (= R47), S51 (= S51), L78 (= L79), L79 (≠ T80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132), G132 (= G133), I249 (= I250), S250 (= S251)

Query Sequence

>WP_011914321.1 NCBI__GCF_000013785.1:WP_011914321.1
MKVSYDKDCDLSIIQGKKVAIIGYGSQGHAHACNLKDSGVDVTVGLRPGSSSIAKAEAHG
LKVSDVPAAVAAADLVMILTPDEFQGRLYKDEVEPNLKQGATLAFAHGFSIHYNQVVPRA
DLDVIMIAPKAPGHTVRSEFVKGGGIPDLIAIYQDASGNARNVALSYACGVGGGRTGIIE
TTFKDETETDLFGEQAVLCGGCVELVKAGFETLVEAGYAPEMAYFECLHELKLIVDLMFE
GGIANMNYSISNNAEYGEYVTGPEVINAESRAAMRNALKRIQDGEYAKMFITEGAANYPS
MTAYRRNNAAHGIEVVGEKLRAMMPWIAANKIVDKSKN

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