SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_005454223.1 NCBI__GCF_000244975.1:WP_005454223.1 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)

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)
70% identity, 100% coverage: 1:337/337 of query aligns to 1:337/337 of P9WKJ7

query
sites
P9WKJ7

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M1 (= M1) modified: Initiator methionine, Removed
D192 (= D192) binding Mg(2+); binding Mg(2+)
E196 (= E196) binding Mg(2+)
E228 (= E228) binding Mg(2+)
E232 (= E232) binding Mg(2+)

4ypoA Crystal structure of mycobacterium tuberculosis ketol-acid reductoisomerase in complex with mg2+ (see paper)
69% identity, 96% coverage: 5:329/337 of query aligns to 1:325/325 of 4ypoA

query
sites
4ypoA

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active site: K128 (= K132), D188 (= D192), E192 (= E196)
binding magnesium ion: D188 (= D192), E192 (= E196), E224 (= E228), E228 (= E232)

6jx2B Crystal structure of ketol-acid reductoisomerase from corynebacterium glutamicum (see paper)
68% identity, 97% coverage: 3:329/337 of query aligns to 1:327/327 of 6jx2B

query
sites
6jx2B

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binding magnesium ion: A73 (= A75), N98 (≠ K100), D101 (= D103), D190 (= D192), D190 (= D192), E194 (= E196), E194 (= E196), E226 (= E228), E230 (= E232)

6jx2A Crystal structure of ketol-acid reductoisomerase from corynebacterium glutamicum (see paper)
68% identity, 96% coverage: 3:327/337 of query aligns to 1:325/325 of 6jx2A

query
sites
6jx2A

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F

A

T

R

K

E

R

W

L

V

I

T

A

E

N

D

V

E

E

Q

N

G

G

R

N

P

T

N

E

F

L

G

E

K

G

L

L

Q

R

Q

A

A

S

G

Y

E

N

Q

N

H

H

S

P

I

I

E

E

T

T

G

G

R

A

K

K

L

L

R

R

G

D

L

L

M

M

S

S

binding magnesium ion: N98 (≠ K100), D101 (= D103), D190 (= D192), E194 (= E196)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G23 (= G25), Y24 (= Y26), G25 (= G27), R47 (≠ P49), S50 (= S52), K51 (= K53), S52 (= S54), A80 (≠ T82), P81 (= P83), I88 (= I90)

8upqB Campylobacter jejuni ketol-acid reductoisomerase in complex with 2,3- dihydroxy-3-isovalerate.
58% identity, 97% coverage: 2:329/337 of query aligns to 1:328/342 of 8upqB

query
sites
8upqB

S

A

V

I

E

T

I

V

F

Y

Y

Y

D

D

A

K

D

D

A

C

D

D

L

L

G

N

I

L

V

I

Q

K

G

S

R

K

K

K

V

V

A

A

V

I

I

I

G

G

Y

F

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

L

M

S

N

L

L

R

R

D

D

S

N

G

G

V

V

D

N

V

V

R

T

I

I

G

G

L

L

P

R

E

E

G

G

S

S

K

V

S

S

R

A

A

V

K

K

A

A

E

K

D

N

E

A

G

G

L

F

R

E

V

V

L

M

T

S

T

V

A

S

E

E

A

A

A

S

A

K

E

I

A

A

D

D

L

V

I

I

M

M

I

I

L

L

T

A

P

P

D

D

T

E

K

I

Q

Q

R

A

A

D

I

I

Y

F

E

N

Q

V

D

E

I

I

A

K

P

P

N

N

L

L

K

S

D

E

G

G

D

K

A

A

L

I

F

A

F

F

G

A

H

H

G

G

F

F

N

N

I

I

R

H

Y

Y

G

G

L

Q

I

I

K

V

P

V

P

P

A

K

N

G

V

V

D

D

V

V

A

I

M

M

V

I

A

A

P

P

K

K

G
x
A

P
|
P

G

G

H

H

L

T

V

V

R

R

R

N

Q

E

F

F

V

T

D

L

G

G

K

G

G

G

V

T

P

P

C

C

L

L

I

I

A

A

V

I

E

H

Q

Q

D

D

P

E

S

S

G

K

N

N

A

A

Q

K

A

N

L

L

A

A

L

L

S

S

Y

Y

A

A

A

S

A

A

I

I

G

G

A

G

R

R

A

T

G

G

V

I

I

I

K

E

T

T

F

F

T

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

A

L

S

S

A

A

L

L

V

I

Q

Q

T

A

G

G

F

F

E

E

V

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

E

P

P

E

E

I

M

A

A

Y

Y

F

F

E

E

V

C

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

I

Y

Y

E

Q

G

G

I

I

A

A

R

D

M

M

R

R

Y

Y

S

S

I

I

S
|
S

D

N

T

T

A
|
A

E

E

Y

Y

G

G

D

D

L

Y

T

I

R

T

G

G

P

P

R

K

V

I

I

I

T

T

P

E

E

E

V

T

K

K

E

K

N

A

M

M

K

K

A

G

I

V

L

L

R

K

E

D

I

I

Q

Q

D

N

G

G

T

V

F

F

A

A

R

K

E

D

W

F

V

I

T

L

E

E

D

R

E

R

Q

A

G

G

R

F

P

A

N

R

F

M

G

H

K

A

L

E

Q

R

Q

K

A

N

G

M

E

N

Q

D

H

S

S

L

I

I

E

E

E

K

T

T

G

G

R

R

K

N

L

L

R

R

G

A

L

M

M

M

S

P

W

W

V

I

binding magnesium ion: D191 (= D192), E195 (= E196)
binding (2R)-2,3-dihydroxy-3-methylbutanoic acid: A132 (≠ G133), P133 (= P134), D191 (= D192), E195 (= E196), E231 (= E232), S252 (= S253), A255 (= A256)

7rduA Crystal structure of campylobacter jejuni keto said reductoisomerase in complex with magnesium and oxidixized and reduced NADPH
58% identity, 97% coverage: 2:329/337 of query aligns to 1:328/329 of 7rduA

query
sites
7rduA

S

A

V

I

E

T

I

V

F

Y

Y

Y

D

D

A

K

D

D

A

C

D

D

L

L

G

N

I

L

V

I

Q

K

G

S

R

K

K

K

V

V

A

A

V

I

I

I

G
|
G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

M

S

N

L

L

R

R

D

D

S

N

G

G

V

V

D

N

V

V

R

T

I

I

G

G

L

L

P
x
R

E

E

G

G

S
|
S

K

V

S
|
S

R

A

A

V

K

K

A

A

E

K

D

N

E

A

G

G

L

F

R

E

V

V

L

M

T

S

T

V

A

S

E

E

A

A

A

S

A

K

E

I

A

A

D

D

L

V

I

I

M

M

I

I

L
|
L

T
x
A

P
|
P

D
|
D

T

E

K

I

Q

Q

R

A

A

D

I
|
I

Y

F

E

N

Q

V

D

E

I

I

A

K

P

P

N

N

L

L

K

S

D

E

G

G

D

K

A

A

L

I

F

A

F

F

G
x
A

H
|
H

G

G

F

F

N

N

I

I

R

H

Y

Y

G

G

L

Q

I

I

K

V

P

V

P

P

A

K

N

G

V

V

D

D

V

V

A

I

M

M

V

I

A

A

P
|
P

K
|
K

G
x
A

P

P

G

G

H

H

L

T

V

V

R

R

R

N

Q

E

F

F

V

T

D

L

G

G

K

G

G

G

V

T

P

P

C

C

L

L

I

I

A

A

V

I

E

H

Q

Q

D

D

P

E

S

S

G

K

N

N

A

A

Q

K

A

N

L

L

A

A

L

L

S

S

Y

Y

A

A

A

S

A

A

I

I

G

G

A

G

R

R

A

T

G

G

V

I

I

I

K

E

T

T

F

F

T

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

A

L

S

S

A

A

L

L

V

I

Q

Q

T

A

G

G

F

F

E

E

V

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

E

P

P

E

E

I

M

A

A

Y

Y

F

F

E

E

V

C

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

I

Y

Y

E

Q

G

G

I

I

A

A

R

D

M

M

R

R

Y

Y

S

S

I

I

S

S

D

N

T

T

A

A

E

E

Y

Y

G

G

D

D

L

Y

T

I

R

T

G

G

P

P

R

K

V

I

I

I

T

T

P

E

E

E

V

T

K

K

E

K

N

A

M

M

K

K

A

G

I

V

L

L

R

K

E

D

I

I

Q

Q

D

N

G

G

T

V

F

F

A

A

R

K

E

D

W

F

V

I

T

L

E

E

D

R

E

R

Q

A

G

G

R

F

P

A

N

R

F

M

G

H

K

A

L

E

Q

R

Q

K

A

N

G

M

E

N

Q

D

H

S

S

L

I

I

E

E

E

K

T

T

G

G

R

R

K

N

L

L

R

R

G

A

L

M

M

M

S

P

W

W

V

I

binding nadp nicotinamide-adenine-dinucleotide phosphate: G24 (= G25), G26 (= G27), S27 (= S28), Q28 (= Q29), R48 (≠ P49), S51 (= S52), S53 (= S54), A81 (≠ T82), P82 (= P83), D83 (= D84), I89 (= I90), A107 (≠ G108), H108 (= H109), P130 (= P131), K131 (= K132), A132 (≠ G133)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G24 (= G25), F25 (≠ Y26), G26 (= G27), S27 (= S28), Q28 (= Q29), S51 (= S52), S53 (= S54), L80 (= L81), P82 (= P83), D83 (= D84), I89 (= I90), A107 (≠ G108), H108 (= H109)

8uppA Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and hoe704
58% identity, 97% coverage: 3:329/337 of query aligns to 1:327/327 of 8uppA

query
sites
8uppA

V

I

E

T

I

V

F

Y

Y

Y

D

D

A

K

D

D

A

C

D

D

L

L

G

N

I

L

V

I

Q

K

G

S

R

K

K

K

V

V

A

A

V

I

I

I

G

G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

M

S

N

L

L

R

R

D

D

S

N

G

G

V

V

D

N

V

V

R

T

I

I

G

G

L

L

P
x
R

E

E

G

G

S
|
S

K

V

S

S

R

A

A

V

K

K

A

A

E

K

D

N

E

A

G

G

L

F

R

E

V

V

L

M

T

S

T

V

A

S

E

E

A

A

A

S

A

K

E

I

A

A

D

D

L

V

I

I

M

M

I

I

L
|
L

T

A

P
|
P

D
|
D

T

E

K
x
I

Q
|
Q

R

A

A

D

I
|
I

Y

F

E

N

Q

V

D

E

I

I

A

K

P

P

N

N

L

L

K

S

D

E

G

G

D

K

A

A

L

I

F

A

F

F

G

A

H
|
H

G

G

F

F

N

N

I

I

R

H

Y

Y

G

G

L

Q

I

I

K

V

P

V

P

P

A

K

N

G

V

V

D

D

V

V

A

I

M

M

V

I

A

A

P

P

K

K

G
x
A

P
|
P

G

G

H

H

L

T

V

V

R

R

R

N

Q

E

F

F

V

T

D

L

G

G

K

G

G

G

V

T

P

P

C

C

L

L

I

I

A

A

V

I

E

H

Q

Q

D

D

P

E

S

S

G

K

N

N

A

A

Q

K

A

N

L

L

A

A

L

L

S

S

Y

Y

A

A

A

S

A

A

I

I

G

G

A

G

R

R

A

T

G

G

V

I

I

I

K

E

T

T

F

F

T

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

A

L

S

S

A

A

L

L

V

I

Q

Q

T

A

G

G

F

F

E

E

V

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

E

P

P

E

E

I

M

A

A

Y

Y

F

F

E

E

V

C

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

I

Y

Y

E

Q

G

G

I

I

A

A

R

D

M

M

R

R

Y

Y

S

S

I
|
I

S
|
S

D

N

T

T

A
|
A

E

E

Y

Y

G

G

D

D

L

Y

T

I

R

T

G

G

P

P

R

K

V

I

I

I

T

T

P

E

E

E

V

T

K

K

E

K

N

A

M

M

K

K

A

G

I

V

L

L

R

K

E

D

I

I

Q

Q

D

N

G

G

T

V

F

F

A

A

R

K

E

D

W

F

V

I

T

L

E

E

D

R

E

R

Q

A

G

G

R

F

P

A

N

R

F

M

G

H

K

A

L

E

Q

R

Q

K

A

N

G

M

E

N

Q

D

H

S

S

L

I

I

E

E

E

K

T

T

G

G

R

R

K

N

L

L

R

R

G

A

L

M

M

M

S

P

W

W

V

I

binding magnesium ion: D190 (= D192), E194 (= E196)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: F24 (≠ Y26), G25 (= G27), S26 (= S28), Q27 (= Q29), R47 (≠ P49), S50 (= S52), L79 (= L81), P81 (= P83), D82 (= D84), I84 (≠ K86), Q85 (= Q87), I88 (= I90), H107 (= H109), P132 (= P134), I250 (= I252), S251 (= S253)
binding (2R)-(dimethylphosphoryl)(hydroxy)acetic acid: A131 (≠ G133), P132 (= P134), D190 (= D192), E194 (= E196), E230 (= E232), I250 (= I252), S251 (= S253), A254 (= A256)

8sxdA Campylobacter jejuni keto-acid reductoisomerase in complex with intermediate and NADP+
58% identity, 97% coverage: 3:329/337 of query aligns to 1:327/327 of 8sxdA

query
sites
8sxdA

V

I

E

T

I

V

F

Y

Y

Y

D

D

A

K

D

D

A

C

D

D

L

L

G

N

I

L

V

I

Q

K

G

S

R

K

K

K

V

V

A

A

V

I

I

I

G
|
G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

M

S

N

L

L

R

R

D

D

S

N

G

G

V

V

D

N

V

V

R

T

I

I

G

G

L

L

P

R

E

E

G

G

S
|
S

K

V

S
|
S

R

A

A

V

K

K

A

A

E

K

D

N

E

A

G

G

L

F

R

E

V

V

L

M

T

S

T

V

A

S

E

E

A

A

A

S

A

K

E

I

A

A

D

D

L

V

I

I

M

M

I

I

L
|
L

T
x
A

P
|
P

D
|
D

T

E

K

I

Q

Q

R

A

A

D

I

I

Y

F

E

N

Q

V

D

E

I

I

A

K

P

P

N

N

L

L

K

S

D

E

G

G

D

K

A

A

L

I

F

A

F

F

G

A

H

H

G

G

F

F

N

N

I

I

R

H

Y

Y

G

G

L

Q

I

I

K

V

P

V

P

P

A

K

N

G

V

V

D

D

V

V

A

I

M

M

V

I

A

A

P
|
P

K

K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

R

N

Q

E

F

F

V

T

D

L

G

G

K

G

G

G

V

T

P

P

C

C

L

L

I

I

A

A

V

I

E

H

Q

Q

D

D

P

E

S

S

G

K

N

N

A

A

Q

K

A

N

L

L

A

A

L

L

S

S

Y

Y

A

A

A

S

A

A

I

I

G

G

A

G

R

R

A

T

G

G

V

I

I

I

K

E

T

T

F

F

T

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

A

L

S

S

A

A

L

L

V

I

Q

Q

T

A

G

G

F

F

E

E

V

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

E

P

P

E

E

I

M

A

A

Y

Y

F

F

E

E

V

C

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

I

Y

Y

E

Q

G

G

I

I

A

A

R

D

M

M

R

R

Y

Y

S

S

I

I

S

S

D

N

T

T

A

A

E

E

Y

Y

G

G

D

D

L

Y

T

I

R

T

G

G

P

P

R

K

V

I

I

I

T

T

P

E

E

E

V

T

K

K

E

K

N

A

M

M

K

K

A

G

I

V

L

L

R

K

E

D

I

I

Q

Q

D

N

G

G

T

V

F

F

A

A

R

K

E

D

W

F

V

I

T

L

E

E

D

R

E

R

Q

A

G

G

R

F

P

A

N

R

F

M

G

H

K

A

L

E

Q

R

Q

K

A

N

G

M

E

N

Q

D

H

S

S

L

I

I

E

E

E

K

T

T

G

G

R

R

K

N

L

L

R

R

G

A

L

M

M

M

S

P

W

W

V

I

binding magnesium ion: D190 (= D192), E194 (= E196)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G23 (= G25), F24 (≠ Y26), G25 (= G27), S26 (= S28), Q27 (= Q29), S50 (= S52), S52 (= S54), L79 (= L81), A80 (≠ T82), P81 (= P83), D82 (= D84), P129 (= P131)
binding 3-hydroxy-3-methyl-2-oxobutanoic acid: D190 (= D192), E194 (= E196)

8swmA Crystal structure of campylobacter jejuni ketol-acid reductoisomerase in complex with 2-acetolactate
59% identity, 96% coverage: 6:328/337 of query aligns to 1:323/323 of 8swmA

query
sites
8swmA

F

Y

Y

Y

D

D

A

K

D

D

A

C

D

D

L

L

G

N

I

L

V

I

Q

K

G

S

R

K

K

K

V

V

A

A

V

I

I

I

G

G

Y

F

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

L

M

S

N

L

L

R

R

D

D

S

N

G

G

V

V

D

N

V

V

R

T

I

I

G

G

L

L

P

R

E

E

G

G

S

S

K

V

S

S

R

A

A

V

K

K

A

A

E

K

D

N

E

A

G

G

L

F

R

E

V

V

L

M

T

S

T

V

A

S

E

E

A

A

A

S

A

K

E

I

A

A

D

D

L

V

I

I

M

M

I

I

L

L

T

A

P

P

D

D

T

E

K

I

Q

Q

R

A

A

D

I

I

Y

F

E

N

Q

V

D

E

I

I

A

K

P

P

N

N

L

L

K

S

D

E

G

G

D

K

A

A

L

I

F

A

F

F

G

A

H

H

G

G

F

F

N

N

I

I

R

H

Y

Y

G

G

L

Q

I

I

K

V

P

V

P

P

A

K

N

G

V

V

D

D

V

V

A

I

M

M

V

I

A

A

P

P

K

K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

R

N

Q

E

F

F

V

T

D

L

G

G

K

G

G

G

V

T

P

P

C

C

L

L

I

I

A

A

V

I

E

H

Q

Q

D

D

P

E

S

S

G

K

N

N

A

A

Q

K

A

N

L

L

A

A

L

L

S

S

Y

Y

A

A

A

S

A

A

I

I

G

G

A

G

R

R

A

T

G

G

V

I

I

I

K

E

T

T

F

F

T

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

A

L

S

S

A

A

L

L

V

I

Q

Q

T

A

G

G

F

F

E

E

V

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

E

P

P

E

E

I

M

A

A

Y

Y

F

F

E

E

V

C

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

I

Y

Y

E

Q

G

G

I

I

A

A

R

D

M

M

R

R

Y

Y

S

S

I

I

S

S

D

N

T

T

A

A

E

E

Y

Y

G

G

D

D

L

Y

T

I

R

T

G

G

P

P

R

K

V

I

I

I

T

T

P

E

E

E

V

T

K

K

E

K

N

A

M

M

K

K

A

G

I

V

L

L

R

K

E

D

I

I

Q

Q

D

N

G

G

T

V

F

F

A

A

R

K

E

D

W

F

V

I

T

L

E

E

D

R

E

R

Q

A

G

G

R

F

P

A

N

R

F

M

G

H

K

A

L

E

Q

R

Q

K

A

N

G

M

E

N

Q

D

H

S

S

L

I

I

E

E

E

K

T

T

G

G

R

R

K

N

L

L

R

R

G

A

L

M

M

M

S

P

W

W

binding magnesium ion: D187 (= D192), E191 (= E196)
binding (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid: D187 (= D192), E191 (= E196)

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)
57% identity, 98% coverage: 1:331/337 of query aligns to 10:340/342 of D0WGK0

query
sites
D0WGK0

M

M

S

A

V

V

E

T

I

I

F

L

Y

Y

D

E

A

Q

D

D

A

V

D

D

L

P

G

K

I

V

V

I

Q

Q

G

G

R

L

K

K

V

V

A

G

V

I

I

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

L

S

N

L

L

R

M

D

D

S

S

G

G

V

V

D

D

V

V

R

R

I

V

G

G

L

L

P
x
R

E

E

G

G

S
|
S

K

S

S
|
S

R

W

A

K

K

T

A

A

E

E

D

E

E

A

G

G

L

L

R

K

V

V

L

T

T

D

T

M

A

D

E

T

A

A

A

E

E

E

A

A

D

D

L

V

I

I

M

M

I

V

L

L

T

V

P

P

D
|
D

T
x
E

K
x
I

Q
|
Q

R

P

A

K

I

V

Y

Y

E

Q

Q

E

D

H

I

I

A

A

P

A

N

H

L

L

K

K

D

A

G

G

D

N

A

T

L

L

F

A

F

F

G

A

H

H

G

G

F

F

N

N

I

I

R

H

Y

Y

G

G

L

Y

I

I

K

V

P

P

A

E

N

D

V

V

D

N

V

V

A

I

M

M

V

C

A

A

P

P

K

K

G

G

P

P

G
|
G

H

H

L

I

V

V

R

R

Q

Q

F

F

V

T

D

E

G

G

K

S

G

G

V

V

P

P

C

D

L

L

I

A

A

C

V

V

E

Q

Q

Q

D

D

P

A

S

T

G

G

N

N

A

A

Q

W

A

D

L

I

A

V

L

L

S

S

Y

Y

A

C

A

W

A

G

I

V

G

G

A

A

R

R

A

S

G

G

V

I

I

I

K

K

T

A

T

T

F

F

T

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

A

L

S

V

A

E

L

L

V

V

Q

K

T

A

G

G

F

F

E

E

V

T

L

L

T

T

E

E

A

A

G

G

Y

Y

A

P

P

P

E

E

I

L

A

A

Y

Y

F

F

E

E

V

C

L

Y

H

H

E

E

L

M

K

K

L

M

I

I

V

V

D

D

L

L

M

M

Y

Y

E

E

G

S

G

G

I

I

A

H

R

F

M

M

R

N

Y

Y

S

S

I

I

S
|
S

D

N

T

T

A

A

E

E

Y

Y

G

G

D

E

L

Y

T

Y

R

A

G

G

P

P

R

K

V

V

I

I

T

N

P

E

E

Q

V

S

K

R

E

E

N

A

M

M

K

K

A

E

I

I

L

L

R

K

E

R

I

I

Q

Q

D

D

G

G

T

S

F

F

A

A

R

Q

E

E

W

F

V

V

T

D

E

D

D

C

E

N

Q

N

G

G

R

H

P

K

N

R

F

L

G

L

K

E

L

Q

Q

R

Q

E

A

A

G

I

E

N

Q

T

H

H

S

P

I

I

E

E

E

T

T

T

G

G

R

A

K

Q

L

I

R

R

G

S

L

M

M

F

S

S

W

W

V

I

D

K

R

K

YGSQ 35:38 (= YGSQ 26:29) binding NADP(+)
R58 (≠ P49) binding NADP(+)
S61 (= 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-63.
S63 (= S54) 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 (≠ DTKQ 84:87) binding NADP(+)
G144 (= G135) binding NADP(+)
D201 (= D192) binding Mg(2+)
E205 (= E196) binding Mg(2+)
S262 (= S253) binding substrate

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)
57% identity, 97% coverage: 3:329/337 of query aligns to 1:327/338 of C1DFH7

query
sites
C1DFH7

V

M

E

K

I

V

F

Y

Y

Y

D

D

A

K

D

D

A

C

D

D

L

L

G

S

I

I

V

I

Q

Q

G

S

R

K

K

K

V

V

A

A

V

I

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

L

C

S

N

L

L

R

K

D

D

S

S

G

G

V

V

D

D

V

V

R

Y

I

V

G

G

L

L

P

R

E

A

G

G

S

S

K

A

S

S

R

V

A

A

K

K

A

A

E

E

D

A

E

H

G

G

L

L

R

T

V

V

L

K

T

S

T

V

A

K

E

D

A

A

A

V

A

A

E

A

A

A

D

D

L

V

I

V

M

M

I

I

L

L

T

T

P

P

D

D

T

E

K

F

Q

Q

R

G

A

R

I

L

Y

Y

E

K

Q

D

D

E

I

I

A

E

P

P

N

N

L

L

K

K

D

K

G

G

D

A

A

T

L

L

F

A

F

F

G

A

H

H

G

G

F

F

N

S

I

I

R

H

Y

Y

G

N

L

Q

I

V

K

V

P

P

P

R

A

A

N

D

V

L

D

D

V

V

A

I

M

M

V

I

A

A

P

P

K

K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

R

S

Q

E

F

F

V

V

D

R

G

G

K

G

G

G

V

I

P

P

C

D

L

L

I

I

A

A

V

V

E

Y

Q

Q

D

D

P

A

S

S

G

G

N

N

A

A

Q

K

A

N

L

L

A

A

L

L

S

S

Y

Y

A

A

A

C

A

G

I

V

G

G

A

G

R

R

A

T

G

G

V

I

I

I

K

E

T

T

F

F

T

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

A

C

S

V

A

E

L

L

V

V

Q

K

T

A

G

G

F

F

E

E

V

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

A

P

P

E

E

I

M

A

A

Y

Y

F

F

E
|
E

V

C

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

M

M

Y

F

E

E

G

G

I

I

A

A

R

N

M

M

R

N

Y

Y

S

S

I

I

S

S

D

N

T

N

A

A

E

E

Y

Y

G

G

D

E

L

Y

T

V

R

T

G

G

P

P

R

E

V

V

I

I

T

N

P

E

E

Q

V

S

K

R

E

Q

N

A

M

M

K

R

A

N

I

A

L

L

R

K

E

R

I

I

Q

Q

D

D

G

G

T

E

F

Y

A

A

R

K

E

M

W

F

V

I

T

T

E

E

D

G

E

A

Q

A

G

N

R

Y

P

P

N

S

F

M

G

T

K

A

L

Y

Q

R

A

N

G

N

E

A

Q

A

H

H

S

Q

I

I

E

E

E

V

T

V

G

G

R

E

K

K

L

L

R

R

G

T

L

M

M

M

S

P

W

W

V

I

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

4xiyA Crystal structure of ketol-acid reductoisomerase from azotobacter (see paper)
57% identity, 97% coverage: 3:329/337 of query aligns to 1:327/328 of 4xiyA

query
sites
4xiyA

V

M

E

K

I

V

F

Y

Y

Y

D

D

A

K

D

D

A

C

D

D

L

L

G

S

I

I

V

I

Q

Q

G

S

R

K

K

K

V

V

A

A

V

I

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

L

C

S

N

L

L

R

K

D

D

S

S

G

G

V

V

D

D

V

V

R

Y

I

V

G

G

L

L

P

R

E

A

G

G

S

S

K

A

S

S

R

V

A

A

K

K

A

A

E

E

D

A

E

H

G

G

L

L

R

T

V

V

L

K

T

S

T

V

A

K

E

D

A

A

A

V

A

A

E

A

A

A

D

D

L

V

I

V

M

M

I

I

L

L

T

T

P

P

D

D

T

E

K

F

Q

Q

R

G

A

R

I

L

Y

Y

E

K

Q

D

D

E

I

I

A

E

P

P

N

N

L

L

K

K

D

K

G

G

D

A

A

T

L

L

F

A

F

F

G

A

H

H

G

G

F

F

N

S

I

I

R

H

Y

Y

G

N

L

Q

I

V

K

V

P

P

P

R

A

A

N

D

V

L

D

D

V

V

A

I

M

M

V

I

A

A

P

P

K
|
K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

R

S

Q

E

F

F

V

V

D

R

G

G

K

G

G

G

V

I

P

P

C

D

L

L

I

I

A

A

V

V

E

Y

Q

Q

D

D

P

A

S

S

G

G

N

N

A

A

Q

K

A

N

L

L

A

A

L

L

S

S

Y

Y

A

A

A

C

A

G

I

V

G

G

A

G

R

R

A

T

G

G

V

I

I

I

K

E

T

T

F

F

T

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

A

C

S

V

A

E

L

L

V

V

Q

K

T

A

G

G

F

F

E

E

V

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

A

P

P

E

E

I

M

A

A

Y

Y

F

F

E
|
E

V

C

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

M

M

Y

F

E

E

G

G

I

I

A

A

R

N

M

M

R

N

Y

Y

S

S

I

I

S

S

D

N

T

N

A

A

E

E

Y

Y

G

G

D

E

L

Y

T

V

R

T

G

G

P

P

R

E

V

V

I

I

T

N

P

E

E

Q

V

S

K

R

E

Q

N

A

M

M

K

R

A

N

I

A

L

L

R

K

E

R

I

I

Q

Q

D

D

G

G

T

E

F

Y

A

A

R

K

E

M

W

F

V

I

T

T

E

E

D

G

E

A

Q

A

G

N

R

Y

P

P

N

S

F

M

G

T

K

A

L

Y

Q

R

A

N

G

N

E

A

Q

A

H

H

S

Q

I

I

E

E

E

V

T

V

G

G

R

E

K

K

L

L

R

R

G

T

L

M

M

M

S

P

W

W

V

I

active site: K130 (= K132), D190 (= D192), E194 (= E196)
binding fe (iii) ion: D190 (= D192), E194 (= E196)
binding magnesium ion: E226 (= E228), E230 (= E232)

4kqxB Mutant slackia exigua kari ddv in complex with NAD and an inhibitor (see paper)
57% identity, 98% coverage: 1:331/337 of query aligns to 1:331/335 of 4kqxB

query
sites
4kqxB

M

M

S

A

V

V

E

T

I

I

F

L

Y

Y

D

E

A

Q

D

D

A

V

D

D

L

P

G

K

I

V

V

I

Q

Q

G

G

R

L

K

K

V

V

A

G

V

I

I

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G
|
G

H

H

A

A

H

H

A

A

L

L

S

N

L

L

R

M

D

D

S

S

G

G

V

V

D

D

V

V

R

R

I

V

G

G

L

L

P
x
R

E

E

G

G

S

D

K

S

S

D

R

W

A

K

K

T

A

A

E

E

D

E

E

A

G

G

L

L

R

K

V

V

L

T

T

D

T

M

A

D

E

T

A

A

A
|
A

A
x
E

E

E

A
|
A

D

D

L

V

I

I

M

M

I

V

L
|
L

T
x
V

P
|
P

D
|
D

T

E

K

V

Q

Q

R

P

A

K

I
x
V

Y

Y

E

Q

Q

E

D

H

I

I

A

A

P

A

N

H

L

L

K

K

D

A

G

G

D
x
N

A

T

L

L

F

A

F

F

G

A

H
|
H

G

G

F

F

N

N

I

I

R

H

Y

Y

G

G

L

Y

I

I

K

V

P

P

A

E

N

D

V

V

D

N

V

V

A

I

M

M

V

C

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

L

I

V

V

R

R

Q

Q

F

F

V

T

D

E

G

G

K

S

G

G

V

V

P

P

C

D

L

L

I

A

A

C

V

V

E

Q

Q

Q

D

D

P

A

S

T

G

G

N

N

A

A

Q

W

A

D

L

I

A

V

L

L

S

S

Y

Y

A

C

A

W

A

G

I

V

G

G

A

A

R

R

A

S

G

G

V

I

I

I

K

K

T

A

T

T

F

F

T

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

A

L

S

V

A

E

L

L

V

V

Q

K

T

A

G

G

F

F

E

E

V

T

L

L

T

T

E

E

A

A

G

G

Y

Y

A

P

P

P

E

E

I

L

A

A

Y

Y

F

F

E

E

V

C

L

Y

H

H

E
|
E

L

M

K

K

L

M

I

I

V

V

D

D

L

L

M

M

Y

Y

E

E

G

S

G

G

I

I

A

H

R

F

M

M

R
x
N

Y

Y

S
|
S

I
|
I

S
|
S

D
x
N

T

T

A
|
A

E
|
E

Y

Y

G

G

D

E

L

Y

T

Y

R

A

G

G

P

P

R

K

V

V

I

I

T

N

P

E

E

Q

V

S

K

R

E

E

N

A

M

M

K

K

A

E

I

I

L

L

R

K

E

R

I

I

Q

Q

D

D

G

G

T

S

F

F

A

A

R

Q

E

E

W

F

V

V

T

D

E

D

D

C

E

N

Q

N

G

G

R

H

P

K

N

R

F

L

G

L

K

E

L

Q

Q

R

Q

E

A

A

G

I

E

N

Q

T

H

H

S

P

I

I

E

E

E

T

T

T

G

G

R

A

K

Q

L

I

R

R

G

S

L

M

M

F

S

S

W

W

V

I

D

K

R

K

active site: K132 (= K132), D192 (= D192), E196 (= E196)
binding n-hydroxy-n-isopropyloxamic acid: P134 (= P134), D192 (= D192), E196 (= E196), E232 (= E232), I252 (= I252), S253 (= S253), A256 (= A256)
binding magnesium ion: G27 (= G27), Q29 (= Q29), G30 (= G30), A72 (= A72), E73 (≠ A73), A75 (= A75), L81 (= L81), N103 (≠ D103), D192 (= D192), E196 (= E196), N249 (≠ R249), S251 (= S251), I252 (= I252), I252 (= I252), S253 (= S253), N254 (≠ D254), E257 (= E257)
binding nicotinamide-adenine-dinucleotide: Y26 (= Y26), G27 (= G27), S28 (= S28), Q29 (= Q29), R49 (≠ P49), L81 (= L81), V82 (≠ T82), P83 (= P83), D84 (= D84), V90 (≠ I90), H109 (= H109), P134 (= P134), S251 (= S251), I252 (= I252), S253 (= S253)

Sites not aligning to the query:

binding histidine: 333, 334, 335

4kqwA The structure of the slackia exigua kari in complex with NADP (see paper)
58% identity, 96% coverage: 5:329/337 of query aligns to 2:326/326 of 4kqwA

query
sites
4kqwA

I

I

F

L

Y

Y

D

E

A

Q

D

D

A

V

D

D

L

P

G

K

I

V

V

I

Q

Q

G

G

R

L

K

K

V

V

A

G

V

I

I

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

L

S

N

L

L

R

M

D

D

S

S

G

G

V

V

D

D

V

V

R

R

I

V

G

G

L

L

P
x
R

E

E

G

G

S
|
S

K

S

S
|
S

R

W

A

K

K

T

A

A

E

E

D

E

E

A

G

G

L

L

R

K

V

V

L

T

T

D

T

M

A

D

E

T

A

A

A

E

E

E

A

A

D

D

L

V

I

I

M

M

I

V

L
|
L

T
x
V

P
|
P

D
|
D

T

E

K
x
I

Q
|
Q

R

P

A

K

I

V

Y

Y

E

Q

Q

E

D

H

I

I

A

A

P

A

N

H

L

L

K

K

D

A

G

G

D

N

A

T

L

L

F

A

F

F

G

A

H
|
H

G

G

F

F

N

N

I

I

R

H

Y

Y

G

G

L

Y

I

I

K

V

P

P

A

E

N

D

V

V

D

N

V

V

A

I

M

M

V

C

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

L

I

V

V

R

R

Q

Q

F

F

V

T

D

E

G

G

K

S

G

G

V

V

P

P

C

D

L

L

I

A

A

C

V

V

E

Q

Q

Q

D

D

P

A

S

T

G

G

N

N

A

A

Q

W

A

D

L

I

A

V

L

L

S

S

Y

Y

A

C

A

W

A

G

I

V

G

G

A

A

R

R

A

S

G

G

V

I

I

I

K

K

T

A

T

T

F

F

T

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

A

L

S

V

A

E

L

L

V

V

Q

K

T

A

G

G

F

F

E

E

V

T

L

L

T

T

E

E

A

A

G

G

Y

Y

A

P

P

P

E

E

I

L

A

A

Y

Y

F

F

E

E

V

C

L

Y

H

H

E

E

L

M

K

K

L

M

I

I

V

V

D

D

L

L

M

M

Y

Y

E

E

G

S

G

G

I

I

A

H

R

F

M

M

R

N

Y

Y

S

S

I
|
I

S
|
S

D

N

T

T

A

A

E

E

Y

Y

G

G

D

E

L

Y

T

Y

R

A

G

G

P

P

R

K

V

V

I

I

T

N

P

E

E

Q

V

S

K

R

E

E

N

A

M

M

K

K

A

E

I

I

L

L

R

K

E

R

I

I

Q

Q

D

D

G

G

T

S

F

F

A

A

R

Q

E

E

W

F

V

V

T

D

E

D

D

C

E

N

Q

N

G

G

R

H

P

K

N

R

F

L

G

L

K

E

L

Q

Q

R

Q

E

A

A

G

I

E

N

Q

T

H

H

S

P

I

I

E

E

E

T

T

T

G

G

R

A

K

Q

L

I

R

R

G

S

L

M

M

F

S

S

W

W

V

I

active site: K129 (= K132), D189 (= D192), E193 (= E196)
binding magnesium ion: D189 (= D192), E193 (= E196)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Y23 (= Y26), G24 (= G27), S25 (= S28), Q26 (= Q29), R46 (≠ P49), S49 (= S52), S51 (= S54), L78 (= L81), V79 (≠ T82), P80 (= P83), D81 (= D84), I83 (≠ K86), Q84 (= Q87), H106 (= H109), P131 (= P134), I249 (= I252), S250 (= S253)

6vo2A Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex with mg, NADPH and inhibitor. (see paper)
59% identity, 96% coverage: 5:329/337 of query aligns to 3:326/326 of 6vo2A

query
sites
6vo2A

I

V

F

Y

Y

Y

D

D

A

Q

D

D

A

V

D

K

L

T

G

D

I

A

V

L

Q

Q

G

G

R

K

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

Q

S

N

L

L

R

K

D

D

S

N

G

G

V

Y

D

D

V

V

R

V

I

I

G

G

L
x
I

P
x
R

E

P

G

G

S

-

K

R

S
|
S

R

F

A

D

K

K

A

A

E

K

D

E

E

D

G

G

L

F

R

D

V

V

L

F

T

P

T

V

A

A

E

E

A

A

A

V

A

K

E

Q

A

A

D

D

L

V

I

I

M

M

I

V

L
|
L

T
x
L

P
|
P

D
|
D

T

E

K

I

Q

Q

R

G

A

D

I

V

Y

Y

E

K

Q

N

D

E

I

I

A

E

P

P

N

N

L

L

K

E

D

K

G

H

D

N

A

A

L

L

F

A

F

F

G

A

H
|
H

G

G

F

F

N

N

I

I

R

H

Y

F

G

G

L

V

I

I

K

Q

P

P

A

A

N

D

V

V

D

D

V

V

A

F

M

L

V

V

A

A

P

P

K

K

G
|
G

P
|
P

G

G

H

H

L

L

V

V

R

R

Q

T

F

F

V

V

D

E

G

G

K

S

G

A

V

V

P

P

C

S

L

L

I

F

A

G

V

I

E

Q

Q

Q

D

D

P

A

S

S

G

G

N

Q

A

A

Q

R

A

N

L

I

A

A

L

L

S

S

Y

Y

A

A

A

K

A

G

I

I

G

G

G

A

A

T

R

R

A

A

G

G

V

V

I

I

K

E

T

T

F

F

T

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

A

V

S

S

A

K

L

L

V

I

Q

Q

T

S

G

G

F

F

E

E

V

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

Q

P

P

E

E

I

L

A

A

Y

Y

F

F

E

E

V

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

M

Y

Y

E

E

G

G

I

M

A

E

R

N

M

V

R

R

Y

Y

S

S

I
|
I

S
|
S

D

N

T

T

A
|
A

E

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

V

V

I

I

T

T

P

P

E

D

V

V

K

K

E

E

N

N

M

M

K

K

A

A

I

V

L

L

R

T

E

D

I

I

Q

Q

D

N

G

G

T

N

F

F

A

S

R

N

E

R

W

F

V

I

T

E

E

D

D

N

E

K

Q

N

G

G

R

F

P

K

N

E

F

F

G

Y

K

K

L

L

Q

R

Q

E

A

E

G

Q

E

H

Q

G

H

H

S

Q

I

I

E

E

E

K

T

V

G

G

R

R

K

E

L

L

R

R

G

E

L

M

M

M

S

P

W

F

V

I

binding magnesium ion: D189 (= D192), E193 (= E196)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y26), G25 (= G27), S26 (= S28), Q27 (= Q29), I46 (≠ L48), R47 (≠ P49), S51 (= S54), L78 (= L81), L79 (≠ T82), P80 (= P83), D81 (= D84), H106 (= H109), P131 (= P134), I249 (= I252), S250 (= S253)
binding 3-(methylsulfonyl)-2-oxopropanoic acid: G130 (= G133), P131 (= P134), D189 (= D192), E193 (= E196), E229 (= E232), I249 (= I252), S250 (= S253), A253 (= A256)

6c5nA Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1
59% identity, 96% coverage: 5:329/337 of query aligns to 3:326/326 of 6c5nA

query
sites
6c5nA

I

V

F

Y

Y

Y

D

D

A

Q

D

D

A

V

D

K

L

T

G

D

I

A

V

L

Q

Q

G

G

R

K

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

Q

S

N

L

L

R

K

D

D

S

N

G

G

V

Y

D

D

V

V

R

V

I

I

G

G

L
x
I

P
x
R

E

P

G

G

S

-

K

R

S
|
S

R

F

A

D

K

K

A

A

E

K

D

E

E

D

G

G

L

F

R

D

V

V

L

F

T

P

T

V

A

A

E

E

A

A

A

V

A

K

E

Q

A

A

D

D

L

V

I

I

M

M

I

V

L
|
L

T
x
L

P
|
P

D
|
D

T

E

K

I

Q

Q

R

G

A

D

I

V

Y

Y

E

K

Q

N

D

E

I

I

A

E

P

P

N

N

L

L

K

E

D

K

G

H

D

N

A

A

L

L

F

A

F

F

G

A

H
|
H

G

G

F

F

N

N

I

I

R

H

Y

F

G

G

L

V

I

I

K

Q

P

P

A

A

N

D

V

V

D

D

V

V

A

F

M

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

L

L

V

V

R

R

Q

T

F

F

V

V

D

E

G

G

K

S

G

A

V

V

P

P

C

S

L

L

I

F

A

G

V

I

E

Q

Q

Q

D

D

P

A

S

S

G

G

N

Q

A

A

Q

R

A

N

L

I

A

A

L

L

S

S

Y

Y

A

A

A

K

A

G

I

I

G

G

G

A

A

T

R

R

A

A

G

G

V

V

I

I

K

E

T

T

F

F

T

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

A

V

S

S

A

K

L

L

V

I

Q

Q

T

S

G

G

F

F

E

E

V

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

Q

P

P

E

E

I

L

A

A

Y

Y

F

F

E

E

V

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I
|
I

V

V

D

D

L

L

M

M

Y

Y

E

E

G

G

I

M

A

E

R

N

M

V

R

R

Y

Y

S
|
S

I
|
I

S
|
S

D

N

T

T

A
|
A

E

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

V

V

I

I

T

T

P

P

E

D

V

V

K

K

E

E

N

N

M

M

K

K

A

A

I

V

L

L

R

T

E

D

I

I

Q

Q

D

N

G

G

T

N

F

F

A

S

R

N

E

R

W

F

V

I

T

E

E

D

D

N

E

K

Q

N

G

G

R

F

P

K

N

E

F

F

G

Y

K

K

L

L

Q

R

Q

E

A

E

G

Q

E

H

Q

G

H

H

S

Q

I

I

E

E

E

K

T

V

G

G

R

R

K

E

L

L

R

R

G

E

L

M

M

M

S

P

W

F

V

I

active site: K129 (= K132), D189 (= D192), E193 (= E196)
binding (cyclopentylamino)(oxo)acetic acid: P131 (= P134), D189 (= D192), E193 (= E196), C198 (= C201), E229 (= E232), I233 (= I236), I249 (= I252), S250 (= S253), A253 (= A256)
binding [cyclopentyl(hydroxy)amino](oxo)acetic acid: P131 (= P134), D189 (= D192), E193 (= E196), C198 (= C201), E229 (= E232), I249 (= I252), S250 (= S253), A253 (= A256)
binding magnesium ion: D189 (= D192), E193 (= E196)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y26), G25 (= G27), S26 (= S28), Q27 (= Q29), I46 (≠ L48), R47 (≠ P49), S51 (= S54), L78 (= L81), L79 (≠ T82), P80 (= P83), D81 (= D84), H106 (= H109), P131 (= P134), S248 (= S251), I249 (= I252), S250 (= S253)

6c55A Crystal structure of staphylococcus aureus ketol-acid reductosimerrase with hydroxyoxamate inhibitor 3
59% identity, 96% coverage: 5:329/337 of query aligns to 3:326/326 of 6c55A

query
sites
6c55A

I

V

F

Y

Y

Y

D

D

A

Q

D

D

A

V

D

K

L

T

G

D

I

A

V

L

Q

Q

G

G

R

K

K

K

V

I

A

A

V

V

I

V

G

G

Y

Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

Q

S

N

L

L

R

K

D

D

S

N

G

G

V

Y

D

D

V

V

R

V

I

I

G

G

L
x
I

P
x
R

E

P

G

G

S

-

K

R

S
|
S

R

F

A

D

K

K

A

A

E

K

D

E

E

D

G

G

L

F

R

D

V

V

L

F

T

P

T

V

A

A

E

E

A

A

A

V

A

K

E

Q

A

A

D

D

L

V

I

I

M

M

I

V

L

L

T
x
L

P
|
P

D
|
D

T

E

K
x
I

Q

Q

R

G

A

D

I

V

Y

Y

E

K

Q

N

D

E

I

I

A

E

P

P

N

N

L

L

K

E

D

K

G

H

D

N

A

A

L

L

F

A

F

F

G

A

H
|
H

G

G

F

F

N

N

I

I

R

H

Y

F

G

G

L

V

I

I

K

Q

P

P

A

A

N

D

V

V

D

D

V

V

A

F

M

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

L

L

V

V

R

R

Q

T

F

F

V

V

D

E

G

G

K

S

G

A

V

V

P

P

C

S

L

L

I

F

A

G

V

I

E

Q

Q

Q

D

D

P

A

S

S

G

G

N

Q

A

A

Q

R

A

N

L

I

A

A

L

L

S

S

Y

Y

A

A

A

K

A

G

I

I

G

G

G

A

A

T

R

R

A

A

G

G

V

V

I

I

K

E

T

T

F

F

T

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

A

V

S

S

A

K

L

L

V

I

Q

Q

T

S

G

G

F

F

E

E

V

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

Q

P

P

E

E

I

L

A

A

Y

Y

F

F

E

E

V

V

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

M

Y

Y

E

E

G

G

I

M

A

E

R

N

M

V

R

R

Y

Y

S
|
S

I
|
I

S
|
S

D

N

T

T

A
|
A

E

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

V

V

I

I

T

T

P

P

E

D

V

V

K

K

E

E

N

N

M

M

K

K

A

A

I

V

L

L

R

T

E

D

I

I

Q

Q

D

N

G

G

T

N

F

F

A

S

R

N

E

R

W

F

V

I

T

E

E

D

D

N

E

K

Q

N

G

G

R

F

P

K

N

E

F

F

G

Y

K

K

L

L

Q

R

Q

E

A

E

G

Q

E

H

Q

G

H

H

S

Q

I

I

E

E

E

K

T

V

G

G

R

R

K

E

L

L

R

R

G

E

L

M

M

M

S

P

W

F

V

I

active site: K129 (= K132), D189 (= D192), E193 (= E196)
binding [cyclohexyl(hydroxy)amino](oxo)acetic acid: P131 (= P134), D189 (= D192), E193 (= E196), C198 (= C201)
binding (cyclohexylamino)(oxo)acetic acid: P131 (= P134), D189 (= D192), E193 (= E196), C198 (= C201), I249 (= I252), S250 (= S253), A253 (= A256)
binding magnesium ion: D189 (= D192), E193 (= E196)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G25 (= G27), S26 (= S28), Q27 (= Q29), I46 (≠ L48), R47 (≠ P49), S51 (= S54), L79 (≠ T82), P80 (= P83), D81 (= D84), I83 (≠ K86), H106 (= H109), S248 (= S251), S250 (= S253)

6aqjA Crystal structures of staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity. (see paper)
59% identity, 96% coverage: 5:329/337 of query aligns to 3:326/326 of 6aqjA

query
sites
6aqjA

I

V

F

Y

Y

Y

D

D

A

Q

D

D

A

V

D

K

L

T

G

D

I

A

V

L

Q

Q

G

G

R

K

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

Q

S

N

L

L

R

K

D

D

S

N

G

G

V

Y

D

D

V

V

R

V

I

I

G

G

L
x
I

P
x
R

E

P

G

G

S

-

K

R

S
|
S

R

F

A

D

K

K

A

A

E

K

D

E

E

D

G

G

L

F

R

D

V

V

L

F

T

P

T

V

A

A

E

E

A

A

A

V

A

K

E

Q

A

A

D

D

L

V

I

I

M

M

I

V

L
|
L

T
x
L

P
|
P

D
|
D

T

E

K

I

Q

Q

R

G

A

D

I

V

Y

Y

E

K

Q

N

D

E

I

I

A

E

P

P

N

N

L

L

K

E

D

K

G

H

D

N

A

A

L

L

F

A

F

F

G

A

H
|
H

G

G

F

F

N

N

I

I

R

H

Y

F

G

G

L

V

I

I

K

Q

P

P

A

A

N

D

V

V

D

D

V

V

A

F

M

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

L

L

V

V

R

R

Q

T

F

F

V

V

D

E

G

G

K

S

G

A

V

V

P

P

C

S

L

L

I

F

A

G

V

I

E

Q

Q

Q

D

D

P

A

S

S

G

G

N

Q

A

A

Q

R

A

N

L

I

A

A

L

L

S

S

Y

Y

A

A

A

K

A

G

I

I

G

G

G

A

A

T

R

R

A

A

G

G

V

V

I

I

K

E

T

T

F

F

T

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

A

V

S

S

A

K

L

L

V

I

Q

Q

T

S

G

G

F

F

E

E

V

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

Q

P

P

E

E

I

L

A

A

Y

Y

F

F

E

E

V

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I
|
I

V

V

D

D

L

L

M

M

Y

Y

E

E

G

G

I

M

A

E

R

N

M

V

R

R

Y

Y

S

S

I
|
I

S
|
S

D

N

T

T

A
|
A

E

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

V

V

I

I

T

T

P

P

E

D

V

V

K

K

E

E

N

N

M

M

K

K

A

A

I

V

L

L

R

T

E

D

I

I

Q

Q

D

N

G

G

T

N

F

F

A

S

R

N

E

R

W

F

V

I

T

E

E

D

D

N

E

K

Q

N

G

G

R

F

P

K

N

E

F

F

G

Y

K

K

L

L

Q

R

Q

E

A

E

G

Q

E

H

Q

G

H

H

S

Q

I

I

E

E

E

K

T

V

G

G

R

R

K

E

L

L

R

R

G

E

L

M

M

M

S

P

W

F

V

I

active site: K129 (= K132), D189 (= D192), E193 (= E196)
binding oxo(propan-2-ylamino)acetic acid: P131 (= P134), D189 (= D192), E193 (= E196), E229 (= E232), I233 (= I236), I249 (= I252), S250 (= S253), A253 (= A256)
binding n-hydroxy-n-isopropyloxamic acid: P131 (= P134), D189 (= D192), E193 (= E196), E229 (= E232), I249 (= I252), S250 (= S253), A253 (= A256)
binding magnesium ion: D189 (= D192), E193 (= E196)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y26), G25 (= G27), S26 (= S28), Q27 (= Q29), I46 (≠ L48), R47 (≠ P49), S51 (= S54), L78 (= L81), L79 (≠ T82), P80 (= P83), D81 (= D84), H106 (= H109), P131 (= P134), I249 (= I252), S250 (= S253)

5w3kA Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, mg2+ and cpd (see paper)
59% identity, 96% coverage: 5:329/337 of query aligns to 3:326/326 of 5w3kA

query
sites
5w3kA

I

V

F

Y

Y

Y

D

D

A

Q

D

D

A

V

D

K

L

T

G

D

I

A

V

L

Q

Q

G

G

R

K

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

Q

S

N

L

L

R

K

D

D

S

N

G

G

V

Y

D

D

V

V

R

V

I

I

G

G

L
x
I

P
x
R

E

P

G

G

S

-

K

R

S
|
S

R

F

A

D

K

K

A

A

E

K

D

E

E

D

G

G

L

F

R

D

V

V

L

F

T

P

T

V

A

A

E

E

A

A

A
x
V

A
x
K

E

Q

A
|
A

D

D

L

V

I

I

M

M

I

V

L
|
L

T
x
L

P
|
P

D
|
D

T

E

K

I

Q

Q

R

G

A

D

I

V

Y

Y

E

K

Q

N

D

E

I

I

A

E

P

P

N

N

L

L

K

E

D

K

G

H

D
x
N

A

A

L

L

F

A

F

F

G

A

H
|
H

G

G

F

F

N

N

I

I

R

H

Y

F

G

G

L

V

I

I

K

Q

P

P

A

A

N

D

V

V

D

D

V

V

A

F

M

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G
|
G

H

H

L

L

V

V

R

R

Q

T

F

F

V

V

D

E

G

G

K

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G

A

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L

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F

A

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D

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E

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D

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L

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E

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L

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C

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G

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K

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G

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E

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active site: K129 (= K132), D189 (= D192), E193 (= E196)
binding cyclopropane-1,1-dicarboxylic acid: D189 (= D192), E193 (= E196), E229 (= E232), I249 (= I252), S250 (= S253), A253 (= A256)
binding magnesium ion: V69 (≠ A72), K70 (≠ A73), A72 (= A75), N100 (≠ D103), D189 (= D192), E193 (= E196)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y26), G25 (= G27), S26 (= S28), Q27 (= Q29), I46 (≠ L48), R47 (≠ P49), S51 (= S54), L78 (= L81), L79 (≠ T82), P80 (= P83), D81 (= D84), H106 (= H109), P131 (= P134), G132 (= G135), I249 (= I252), S250 (= S253)

6bulB Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 2
59% identity, 96% coverage: 5:329/337 of query aligns to 3:326/327 of 6bulB

query
sites
6bulB

I

V

F

Y

Y

Y

D

D

A

Q

D

D

A

V

D

K

L

T

G

D

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K

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G

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S

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Q

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G

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H

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A

H

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L

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D

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D

D

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I

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x
I

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x
R

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P

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D

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K

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A

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K

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A

D

I

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Y

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D

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I

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N

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H

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F

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N

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D

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C

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D

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A

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D

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P

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R

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V

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I

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P

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D

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V

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K

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E

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N

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M

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K

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A

I

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L

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D

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I

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E

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F

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E

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D

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F

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active site: K129 (= K132), D189 (= D192), E193 (= E196)
binding {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid: P131 (= P134), D189 (= D192), E193 (= E196), E229 (= E232), I233 (= I236), I249 (= I252), S250 (= S253), A253 (= A256)
binding oxo{[(1S)-1-phenylethyl]amino}acetic acid: P131 (= P134), D189 (= D192), E193 (= E196), E229 (= E232), I233 (= I236), I249 (= I252), S250 (= S253), A253 (= A256)
binding magnesium ion: D189 (= D192), E193 (= E196)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y26), G25 (= G27), S26 (= S28), Q27 (= Q29), I46 (≠ L48), R47 (≠ P49), S51 (= S54), L78 (= L81), L79 (≠ T82), P80 (= P83), D81 (= D84), H106 (= H109), P131 (= P134), S248 (= S251), I249 (= I252), S250 (= S253)

Query Sequence

>WP_005454223.1 NCBI__GCF_000244975.1:WP_005454223.1
MSVEIFYDADADLGIVQGRKVAVIGYGSQGHAHALSLRDSGVDVRIGLPEGSKSRAKAED
EGLRVLTTAEAAAEADLIMILTPDTKQRAIYEQDIAPNLKDGDALFFGHGFNIRYGLIKP
PANVDVAMVAPKGPGHLVRRQFVDGKGVPCLIAVEQDPSGNAQALALSYAAAIGGARAGV
IKTTFTEETETDLFGEQAVLCGGASALVQTGFEVLTEAGYAPEIAYFEVLHELKLIVDLM
YEGGIARMRYSISDTAEYGDLTRGPRVITPEVKENMKAILREIQDGTFAREWVTEDEQGR
PNFGKLQQAGEQHSIEETGRKLRGLMSWVDRPITETA

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