SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_019555839.1 NCBI__GCF_000381085.1:WP_019555839.1 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)
83% identity, 100% coverage: 1:338/338 of query aligns to 1:338/338 of C1DFH7

query
sites
C1DFH7

M

M

N

K

V

V

Y

Y

D

D

K

K

D

D

C

C

N

D

L

L

S

S

I

I

Q

Q

G

S

K

K

V

V

A

A

I

I

G

G

F

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

A

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

L

L

R

R

A

A

G

G

S

S

S

A

S

S

I

V

A

A

K

K

A

A

E

E

G

A

Y

H

G

G

L

L

K

T

T

V

A

K

D

S

V

V

A

K

T

D

A

A

V

V

A

A

G

A

A

A

D

D

V

V

M

M

I

I

L

L

T

T

P

P

D

D

E

E

F

F

Q

Q

S

G

V

R

L

L

Y

Y

K

K

E

D

E

E

I

I

E

E

P

P

N

N

I

L

K

K

Q

K

G

G

A

A

V

T

L

L

A

A

F

F

A

A

H

H

G

G

F

F

A

S

I

I

I

H

Y

Y

N

N

Q

Q

V

V

A

V

P

P

R

R

K

A

D

D

L

L

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

S

E

E

F

F

V

V

R

R

G

G

V

I

P

P

D

D

L

L

I

I

A

A

I

V

H

Y

Q

Q

D

D

A

A

S

S

G

G

N

N

A

A

K

K

E

N

V

L

A

A

L

L

A

S

Y

Y

A

A

S

C

G

G

V

V

G

G

R

R

T

T

A

G

I

I

E

E

T

T

F

F

R

K

D

D

E

E

C

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

V

V

E

E

L

L

V

V

K

K

A

A

G

G

F

F

D

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

E

A

P

P

E

E

M

M

A

A

Y

Y

F

F

E
|
E

C

C

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

M

M

F

F

E

E

G

G

I

I

A

A

D

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

K

E

V

V

I

I

N

N

A

E

E

Q

S

S

R

R

E

Q

A

A

M

M

R

R

I

N

A

A

L

L

K

K

N

R

I

I

Q

Q

S

D

G

G

E

E

Y

Y

A

A

K

K

Q

M

F

F

I

I

L

T

E

E

G

G

Q

A

S

A

G

N

Y

Y

P

P

S

S

M

M

T

T

A

A

A

Y

R

R

N

N

A

A

E

A

H

H

G

Q

I

I

E

E

V

V

G

G

K

E

K

K

L

L

R

R

T

T

M

M

P

P

W

W

I

I

A

A

N

N

K

K

I

I

V

V

D

D

Q

K

D

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)
83% identity, 97% coverage: 1:328/338 of query aligns to 1:328/328 of 4xiyA

query
sites
4xiyA

M

M

N

K

V

V

Y

Y

D

D

K

K

D

D

C

C

N

D

L

L

S

S

I

I

Q

Q

G

S

K

K

V

V

A

A

I

I

G

G

F

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

A

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

L

L

R

R

A

A

G

G

S

S

S

A

S

S

I

V

A

A

K

K

A

A

E

E

G

A

Y

H

G

G

L

L

K

T

T

V

A

K

D

S

V

V

A

K

T

D

A

A

V

V

A

A

G

A

A

A

D

D

V

V

M

M

I

I

L

L

T

T

P

P

D

D

E

E

F

F

Q

Q

S

G

V

R

L

L

Y

Y

K

K

E

D

E

E

I

I

E

E

P

P

N

N

I

L

K

K

Q

K

G

G

A

A

V

T

L

L

A

A

F

F

A

A

H

H

G

G

F

F

A

S

I

I

I

H

Y

Y

N

N

Q

Q

V

V

A

V

P

P

R

R

K

A

D

D

L

L

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

S

E

E

F

F

V

V

R

R

G

G

V

I

P

P

D

D

L

L

I

I

A

A

I

V

H

Y

Q

Q

D

D

A

A

S

S

G

G

N

N

A

A

K

K

E

N

V

L

A

A

L

L

A

S

Y

Y

A

A

S

C

G

G

V

V

G

G

R

R

T

T

A

G

I

I

E

E

T

T

F

F

R

K

D

D

E

E

C

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

V

V

E

E

L

L

V

V

K

K

A

A

G

G

F

F

D

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

E

A

P

P

E

E

M

M

A

A

Y

Y

F

F

E
|
E

C

C

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

M

M

F

F

E

E

G

G

I

I

A

A

D

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

K

E

V

V

I

I

N

N

A

E

E

Q

S

S

R

R

E

Q

A

A

M

M

R

R

I

N

A

A

L

L

K

K

N

R

I

I

Q

Q

S

D

G

G

E

E

Y

Y

A

A

K

K

Q

M

F

F

I

I

L

T

E

E

G

G

Q

A

S

A

G

N

Y

Y

P

P

S

S

M

M

T

T

A

A

A

Y

R

R

N

N

A

A

E

A

H

H

G

Q

I

I

E

E

V

V

G

G

K

E

K

K

L

L

R

R

T

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

N

T

V

V

Y

Y

D

D

K

K

D

D

C

C

N

D

L

L

S

N

I

L

I

I

Q

K

G

S

K

K

V

V

A

A

I

I

G

G

F

F

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

A

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

A

E

G

G

S

S

S

V

S

S

I

A

A

V

K

K

A

A

E

K

G

N

Y

A

G

G

L

F

K

E

T

V

A

M

D

S

V

V

A

S

T

E

A

A

V

S

A

K

G

I

A

A

D

D

V

V

V

I

M

M

I

I

L

L

T

A

P

P

D

D

E

E

F

I

Q

Q

S

A

V

D

L

I

Y

F

K

N

E

V

E

E

I

I

E

K

P

P

N

N

I

L

K

S

Q

E

G

G

A

K

V

A

L

I

A

A

F

F

A

A

H

H

G

G

F

F

A

N

I

I

I

H

Y

Y

N

G

Q

Q

V

I

A

V

P

V

R

P

K

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

R

L

G

G

V

T

P

P

D

C

L

L

I

I

A

A

I

I

H

H

Q

Q

D

D

A

E

S

S

G

K

N

N

A

A

K

K

E

N

V

L

A

A

L

L

A

S

Y

Y

A

A

S

S

G

A

V

I

G

G

R

R

T

T

A

G

I

I

E

E

T

T

F

F

R

K

D

A

E

E

C

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

V

S

E

A

L

L

V

I

K

Q

A

A

G

G

F

F

D

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

E

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

D

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

K

K

V

I

I

I

N

T

A

E

E

E

S

T

R

K

E

K

A

A

M

M

R

K

I

G

A

V

L

L

K

K

N

D

I

I

Q

Q

S

N

G

G

E

V

Y

F

A

A

K

K

Q

D

F

F

I

I

L

L

E

E

G

R

Q

R

S

A

G

G

Y

F

P

A

S

R

M

M

T

H

A

A

A

E

R

R

R

K

N

N

N

M

A

N

E

D

H

S

G

L

I

I

E

E

V

K

V

T

G

G

K

R

K

N

L

L

R

R

T

A

M

M

P

P

W

W

I

I

A

S

A

A

N

K

K

K

I

L

V

V

D

D

Q

A

D

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

N

T

V

V

Y

Y

D

D

K

K

D

D

C

C

N

D

L

L

S

N

I

L

I

I

Q

K

G

S

K

K

V

V

A

A

I

I

G
|
G

F
|
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

A

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

A

E

G

G

S
|
S

S

V

S
|
S

I

A

A

V

K

K

A

A

E

K

G

N

Y

A

G

G

L

F

K

E

T

V

A

M

D

S

V

V

A

S

T

E

A

A

V

S

A

K

G

I

A

A

D

D

V

V

V

I

M

M

I

I

L
|
L

T
x
A

P
|
P

D
|
D

E

E

F

I

Q

Q

S

A

V

D

L
x
I

Y

F

K

N

E

V

E

E

I

I

E

K

P

P

N

N

I

L

K

S

Q

E

G

G

A

K

V

A

L

I

A

A

F

F

A
|
A

H
|
H

G

G

F

F

A

N

I

I

I

H

Y

Y

N

G

Q

Q

V

I

A

V

P

V

R

P

K

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

R

L

G

G

V

T

P

P

D

C

L

L

I

I

A

A

I

I

H

H

Q

Q

D

D

A

E

S

S

G

K

N

N

A

A

K

K

E

N

V

L

A

A

L

L

A

S

Y

Y

A

A

S

S

G

A

V

I

G

G

R

R

T

T

A

G

I

I

E

E

T

T

F

F

R

K

D

A

E

E

C

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

V

S

E

A

L

L

V

I

K

Q

A

A

G

G

F

F

D

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

E

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

D

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

K

K

V

I

I

I

N

T

A

E

E

E

S

T

R

K

E

K

A

A

M

M

R

K

I

G

A

V

L

L

K

K

N

D

I

I

Q

Q

S

N

G

G

E

V

Y

F

A

A

K

K

Q

D

F

F

I

I

L

L

E

E

G

R

Q

R

S

A

G

G

Y

F

P

A

S

R

M

M

T

H

A

A

A

E

R

R

R

K

N

N

N

M

A

N

E

D

H

S

G

L

I

I

E

E

V

K

V

T

G

G

K

R

K

N

L

L

R

R

T

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 (= F24), 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

N

T

V

V

Y

Y

D

D

K

K

D

D

C

C

N

D

L

L

S

N

I

L

I

I

Q

K

G

S

K

K

V

V

A

A

I

I

G

G

F
|
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

A

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

A

E

G

G

S
|
S

S

V

S

S

I

A

A

V

K

K

A

A

E

K

G

N

Y

A

G

G

L

F

K

E

T

V

A

M

D

S

V

V

A

S

T

E

A

A

V

S

A

K

G

I

A

A

D

D

V

V

V

I

M

M

I

I

L
|
L

T

A

P
|
P

D
|
D

E

E

F
x
I

Q
|
Q

S

A

V

D

L
x
I

Y

F

K

N

E

V

E

E

I

I

E

K

P

P

N

N

I

L

K

S

Q

E

G

G

A

K

V

A

L

I

A

A

F

F

A

A

H
|
H

G

G

F

F

A

N

I

I

I

H

Y

Y

N

G

Q

Q

V

I

A

V

P

V

R

P

K

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

R

L

G

G

V

T

P

P

D

C

L

L

I

I

A

A

I

I

H

H

Q

Q

D

D

A

E

S

S

G

K

N

N

A

A

K

K

E

N

V

L

A

A

L

L

A

S

Y

Y

A

A

S

S

G

A

V

I

G

G

R

R

T

T

A

G

I

I

E

E

T

T

F

F

R

K

D

A

E

E

C

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

V

S

E

A

L

L

V

I

K

Q

A

A

G

G

F

F

D

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

E

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

D

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

K

K

V

I

I

I

N

T

A

E

E

E

S

T

R

K

E

K

A

A

M

M

R

K

I

G

A

V

L

L

K

K

N

D

I

I

Q

Q

S

N

G

G

E

V

Y

F

A

A

K

K

Q

D

F

F

I

I

L

L

E

E

G

R

Q

R

S

A

G

G

Y

F

P

A

S

R

M

M

T

H

A

A

A

E

R

R

R

K

N

N

N

M

A

N

E

D

H

S

G

L

I

I

E

E

V

K

V

T

G

G

K

R

K

N

L

L

R

R

T

A

M

M

P

P

W

W

I

I

binding magnesium ion: D190 (= D190), E194 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: F24 (= F24), 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

N

T

V

V

Y

Y

D

D

K

K

D

D

C

C

N

D

L

L

S

N

I

L

I

I

Q

K

G

S

K

K

V

V

A

A

I

I

G
|
G

F
|
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

A

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

A

E

G

G

S
|
S

S

V

S
|
S

I

A

A

V

K

K

A

A

E

K

G

N

Y

A

G

G

L

F

K

E

T

V

A

M

D

S

V

V

A

S

T

E

A

A

V

S

A

K

G

I

A

A

D

D

V

V

V

I

M

M

I

I

L
|
L

T
x
A

P
|
P

D
|
D

E

E

F

I

Q

Q

S

A

V

D

L

I

Y

F

K

N

E

V

E

E

I

I

E

K

P

P

N

N

I

L

K

S

Q

E

G

G

A

K

V

A

L

I

A

A

F

F

A

A

H

H

G

G

F

F

A

N

I

I

I

H

Y

Y

N

G

Q

Q

V

I

A

V

P

V

R

P

K

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

R

L

G

G

V

T

P

P

D

C

L

L

I

I

A

A

I

I

H

H

Q

Q

D

D

A

E

S

S

G

K

N

N

A

A

K

K

E

N

V

L

A

A

L

L

A

S

Y

Y

A

A

S

S

G

A

V

I

G

G

R

R

T

T

A

G

I

I

E

E

T

T

F

F

R

K

D

A

E

E

C

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

V

S

E

A

L

L

V

I

K

Q

A

A

G

G

F

F

D

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

E

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

D

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

K

K

V

I

I

I

N

T

A

E

E

E

S

T

R

K

E

K

A

A

M

M

R

K

I

G

A

V

L

L

K

K

N

D

I

I

Q

Q

S

N

G

G

E

V

Y

F

A

A

K

K

Q

D

F

F

I

I

L

L

E

E

G

R

Q

R

S

A

G

G

Y

F

P

A

S

R

M

M

T

H

A

A

A

E

R

R

R

K

N

N

N

M

A

N

E

D

H

S

G

L

I

I

E

E

V

K

V

T

G

G

K

R

K

N

L

L

R

R

T

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 (= F24), 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
64% identity, 96% coverage: 4:326/338 of query aligns to 1:323/323 of 8swmA

query
sites
8swmA

Y

Y

D

D

K

K

D

D

C

C

N

D

L

L

S

N

I

L

I

I

Q

K

G

S

K

K

V

V

A

A

I

I

G

G

F

F

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

A

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

A

E

G

G

S

S

S

V

S

S

I

A

A

V

K

K

A

A

E

K

G

N

Y

A

G

G

L

F

K

E

T

V

A

M

D

S

V

V

A

S

T

E

A

A

V

S

A

K

G

I

A

A

D

D

V

V

V

I

M

M

I

I

L

L

T

A

P

P

D

D

E

E

F

I

Q

Q

S

A

V

D

L

I

Y

F

K

N

E

V

E

E

I

I

E

K

P

P

N

N

I

L

K

S

Q

E

G

G

A

K

V

A

L

I

A

A

F

F

A

A

H

H

G

G

F

F

A

N

I

I

I

H

Y

Y

N

G

Q

Q

V

I

A

V

P

V

R

P

K

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

R

L

G

G

V

T

P

P

D

C

L

L

I

I

A

A

I

I

H

H

Q

Q

D

D

A

E

S

S

G

K

N

N

A

A

K

K

E

N

V

L

A

A

L

L

A

S

Y

Y

A

A

S

S

G

A

V

I

G

G

R

R

T

T

A

G

I

I

E

E

T

T

F

F

R

K

D

A

E

E

C

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

V

S

E

A

L

L

V

I

K

Q

A

A

G

G

F

F

D

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

E

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

D

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

K

K

V

I

I

I

N

T

A

E

E

E

S

T

R

K

E

K

A

A

M

M

R

K

I

G

A

V

L

L

K

K

N

D

I

I

Q

Q

S

N

G

G

E

V

Y

F

A

A

K

K

Q

D

F

F

I

I

L

L

E

E

G

R

Q

R

S

A

G

G

Y

F

P

A

S

R

M

M

T

H

A

A

A

E

R

R

R

K

N

N

N

M

A

N

E

D

H

S

G

L

I

I

E

E

V

K

V

T

G

G

K

R

K

N

L

L

R

R

T

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)

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

N

T

V

V

Y

Y

D

D

K

K

D

D

C

C

N

D

L

L

S

N

I

L

I

I

Q

K

G

S

K

K

V

V

A

A

I

I

G

G

F

F

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

A

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

A

N

G

A

S

-

I

-

A

-

K

-

A

-

E

-

G

-

Y

-

G

G

L

F

K

E

T

V

A

M

D

S

V

V

A

S

T

E

A

A

V

S

A

K

G

I

A

A

D

D

V

V

V

I

M

M

I

I

L

L

T

A

P

P

D

D

E

E

F

I

Q

Q

S

A

V

D

L

I

Y

F

K

N

E

V

E

E

I

I

E

K

P

P

N

N

I

L

K

S

Q

E

G

G

A

K

V

A

L

I

A

A

F

F

A

A

H

H

G

G

F

F

A

N

I

I

I

H

Y

Y

N

G

Q

Q

V

I

A

V

P

V

R

P

K

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

-

R

-

G

-

V

T

P

P

D

C

L

L

I

I

A

A

I

I

H

H

Q

Q

D

D

A

E

S

S

G

K

N

N

A

A

K

K

E

N

V

L

A

A

L

L

A

S

Y

Y

A

A

S

S

G

A

V

I

G

G

R

R

T

T

A

G

I

I

E

E

T

T

F

F

R

K

D

A

E

E

C

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

V

S

E

A

L

L

V

I

K

Q

A

A

G

G

F

F

D

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

E

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

D

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

K

K

V

I

I

I

N

T

A

E

E

E

S

T

R

K

E

K

A

A

M

M

R

K

I

G

A

V

L

L

K

K

N

D

I

I

Q

Q

S

N

G

G

E

V

Y

F

A

A

K

K

Q

D

F

F

I

I

L

L

E

E

G

R

Q

R

S

A

G

G

Y

F

P

A

S

R

M

M

T

H

A

A

A

E

R

R

R

K

N

N

N

M

A

N

E

D

H

S

G

L

I

I

E

E

V

K

V

T

G

G

K

R

K

N

L

L

R

R

T

A

M

M

P

P

W

W

I

I

A

S

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

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)
58% identity, 97% coverage: 1:327/338 of query aligns to 12:338/342 of D0WGK0

query
sites
D0WGK0

M

V

N

T

V

I

Y

L

Y

Y

D

E

K

Q

D

D

C

V

N

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

F
x
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

A

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

A

E

G

G

S
|
S

S

S

S
|
S

I

W

A

K

K

T

A

A

E

E

G

E

Y

A

G

G

L

L

K

K

T

V

A

T

D

D

V

M

A

D

T

T

A

A

V

A

A

E

G

E

A

A

D

D

V

V

V

I

M

M

I

V

L

L

T

V

P

P

D
|
D

E
|
E

F
x
I

Q
|
Q

S

P

V

K

L

V

Y

Y

K

Q

E

E

E

H

I

I

E

A

P

A

N

H

I

L

K

K

Q

A

G

G

A

N

V

T

L

L

A

A

F

F

A

A

H

H

G

G

F

F

A

N

I

I

I

H

Y

Y

N

G

Q

Y

V

I

A

V

P

P

R

P

K

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

R

E

G

G

G

S

G

G

V

V

P

P

D

D

L

L

I

A

A

C

I

V

H

Q

Q

Q

D

D

A

A

S

T

G

G

N

N

A

A

K

W

E

D

V

I

A

V

L

L

A

S

Y

Y

A

C

S

W

G

G

V

V

G

G

G

A

R

R

T

S

A

G

I

I

E

K

T

A

T

T

F

F

R

A

D

E

E

E

C

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

V

V

E

E

L

L

V

V

K

K

A

A

G

G

F

F

D

E

T

T

L

L

V

T

E

E

A

A

G

G

Y

Y

E

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

D

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

K

K

V

V

I

I

N

N

A

E

E

Q

S

S

R

R

E

E

A

A

M

M

R

K

I

E

A

I

L

L

K

K

N

R

I

I

Q

Q

S

D

G

G

E

S

Y

F

A

A

K

Q

Q

E

F

F

I

V

L

D

E

D

G

C

Q

N

S

N

G

G

Y

H

P

K

S

R

M

L

T

L

A

E

A

Q

R

R

R

E

N

A

N

I

A

N

E

T

H

H

G

P

I

I

E

E

V

T

G

G

K

A

K

Q

L

I

R

R

T

S

M

M

M

F

P

S

W

W

I

I

YGSQ 35:38 (≠ FGSQ 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

4kqwA The structure of the slackia exigua kari in complex with NADP (see paper)
58% identity, 96% coverage: 2:327/338 of query aligns to 1:326/326 of 4kqwA

query
sites
4kqwA

N

T

V

I

Y

L

Y

Y

D

E

K

Q

D

D

C

V

N

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

F
x
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

A

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

A

E

G

G

S
|
S

S

S

S
|
S

I

W

A

K

K

T

A

A

E

E

G

E

Y

A

G

G

L

L

K

K

T

V

A

T

D

D

V

M

A

D

T

T

A

A

V

A

A

E

G

E

A

A

D

D

V

V

V

I

M

M

I

V

L
|
L

T
x
V

P
|
P

D
|
D

E

E

F
x
I

Q
|
Q

S

P

V

K

L

V

Y

Y

K

Q

E

E

E

H

I

I

E

A

P

A

N

H

I

L

K

K

Q

A

G

G

A

N

V

T

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

A

N

I

I

I

H

Y

Y

N

G

Q

Y

V

I

A

V

P

P

R

P

K

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

R

E

G

G

G

S

G

G

V

V

P

P

D

D

L

L

I

A

A

C

I

V

H

Q

Q

Q

D

D

A

A

S

T

G

G

N

N

A

A

K

W

E

D

V

I

A

V

L

L

A

S

Y

Y

A

C

S

W

G

G

V

V

G

G

G

A

R

R

T

S

A

G

I

I

E

K

T

A

T

T

F

F

R

A

D

E

E

E

C

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

V

V

E

E

L

L

V

V

K

K

A

A

G

G

F

F

D

E

T

T

L

L

V

T

E

E

A

A

G

G

Y

Y

E

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

D

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

K

K

V

V

I

I

N

N

A

E

E

Q

S

S

R

R

E

E

A

A

M

M

R

K

I

E

A

I

L

L

K

K

N

R

I

I

Q

Q

S

D

G

G

E

S

Y

F

A

A

K

Q

Q

E

F

F

I

V

L

D

E

D

G

C

Q

N

S

N

G

G

Y

H

P

K

S

R

M

L

T

L

A

E

A

Q

R

R

R

E

N

A

N

I

A

N

E

T

H

H

G

P

I

I

E

E

V

T

G

G

K

A

K

Q

L

I

R

R

T

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 (≠ F24), 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)

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, 99% coverage: 2:334/338 of query aligns to 3:334/344 of C8WR67

query
sites
C8WR67

N

K

V

I

Y

Y

D

D

K

A

D

D

C

I

N

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

F
x
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

A

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

A

P

G

G

S

S

S
|
S

S

-

I

W

A

A

K

K

A

A

E

E

G

A

Y

D

G

G

L

F

K

R

T

V

A

M

D

A

V

V

A

G

T

E

A

A

V

V

A

E

G

E

A

S

D

D

V

V

V

I

M

M

I

I

L

L

T

L

P

P

D
|
D

E
|
E

F
x
R

Q
|
Q

S

P

V

A

L

V

Y

Y

K

E

E

R

E

E

I

I

E

R

P

P

N

Y

I

L

K

T

Q

A

G

G

A

K

V

A

L

L

A

A

F

F

A

A

H

H

G

G

F

F

A

N

I

I

I

H

Y

F

N

S

Q

Q

V

I

A

Q

P

P

R

P

K

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

R

A

G

G

V

V

P

P

D

A

L

L

I

I

A

A

I

V

H

H

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

K

K

E

D

V

L

A

A

L

L

A

A

Y

Y

A

A

S

R

G

G

V

I

G

G

G

A

G

G

R

R

T

A

A

G

I

I

I

L

E

T

T

T

F

F

R

R

D

E

E

E

C

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

V

S

E

A

L

L

V

I

K

K

A

A

G

G

F

F

D

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

E

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

D

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

K

R

V

I

I

I

N

N

A

E

E

E

S

T

R

K

E

K

A

E

M

M

R

R

I

R

A

I

L

L

K

A

N

D

I

I

Q

Q

S

S

G

G

E

A

Y

F

A

A

K

K

Q

S

F

W

I

I

L

L

E

E

G

N

Q

Q

S

A

G

N

Y

R

P

P

S

M

M

F

T

N

A

A

A

I

R

N

R

R

N

R

N

E

A

L

E

E

H

H

G

P

I

I

E

E

V

V

G

G

K

R

K

K

L

L

R

R

T

S

M

M

P

P

W

F

I

I

A

K

A

A

N

K

K

R

I

P

V

G

D

D

YGSQ 25:28 (≠ FGSQ 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, 99% coverage: 2:334/338 of query aligns to 2:333/333 of 4tskA

query
sites
4tskA

N

K

V

I

Y

Y

D

D

K

A

D

D

C

I

N

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

F
x
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

A

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

A

P

G

G

S

S

S
|
S

S

-

I

W

A

A

K

K

A

A

E

E

G

A

Y

D

G

G

L

F

K

R

T

V

A

M

D

A

V

V

A

G

T

E

A

A

V

V

A

E

G

E

A

S

D

D

V

V

V

I

M

M

I

I

L
|
L

T
x
L

P
|
P

D
|
D

E

E

F

R

Q

Q

S

P

V

A

L

V

Y

Y

K

E

E

R

E

E

I

I

E

R

P

P

N

Y

I

L

K

T

Q

A

G

G

A

K

V

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

A

N

I

I

I

H

Y

F

N

S

Q

Q

V

I

A

Q

P

P

R

P

K

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

R

A

G

G

V

V

P

P

D

A

L

L

I

I

A

A

I

V

H

H

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

K

K

E

D

V

L

A

A

L

L

A

A

Y

Y

A

A

S

R

G

G

V

I

G

G

G

A

G

G

R

R

T

A

A

G

I

I

I

L

E

T

T

T

F

F

R

R

D

E

E

E

C

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

V

S

E

A

L

L

V

I

K

K

A

A

G

G

F

F

D

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

E

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

D

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

K

R

V

I

I

I

N

N

A

E

E

E

S

T

R

K

E

K

A

E

M

M

R

R

I

R

A

I

L

L

K

A

N

D

I

I

Q

Q

S

S

G

G

E

A

Y

F

A

A

K

K

Q

S

F

W

I

I

L

L

E

E

G

N

Q

Q

S

A

G

N

Y

R

P

P

S

M

M

F

T

N

A

A

A

I

R

N

R

R

N

R

N

E

A

L

E

E

H

H

G

P

I

I

E

E

V

V

G

G

K

R

K

K

L

L

R

R

T

S

M

M

P

P

W

F

I

I

A

K

A

A

N

K

K

R

I

P

V

G

D

D

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 (≠ F24), G25 (= G25), S26 (= S26), Q27 (= Q27), L46 (= L46), R47 (= R47), S51 (= S51), L78 (= L79), L79 (≠ T80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132)

4kqxB Mutant slackia exigua kari ddv in complex with NAD and an inhibitor (see paper)
57% identity, 97% coverage: 1:327/338 of query aligns to 3:329/335 of 4kqxB

query
sites
4kqxB

M

V

N

T

V

I

Y

L

Y

Y

D

E

K

Q

D

D

C

V

N

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

F
x
Y

G
|
G

S
|
S

Q
|
Q

G
|
G

H

H

A

A

H

H

A

A

A

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

A

E

G

G

S

D

S

S

S

D

I

W

A

K

K

T

A

A

E

E

G

E

Y

A

G

G

L

L

K

K

T

V

A

T

D

D

V

M

A

D

T

T

A

A

V
x
A

A
x
E

G

E

A
|
A

D

D

V

V

V

I

M

M

I

V

L
|
L

T
x
V

P
|
P

D
|
D

E

E

F

V

Q

Q

S

P

V

K

L
x
V

Y

Y

K

Q

E

E

E

H

I

I

E

A

P

A

N

H

I

L

K

K

Q

A

G

G

A
x
N

V

T

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

A

N

I

I

I

H

Y

Y

N

G

Q

Y

V

I

A

V

P

P

R

P

K

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

R

E

G

G

G

S

G

G

V

V

P

P

D

D

L

L

I

A

A

C

I

V

H

Q

Q

Q

D

D

A

A

S

T

G

G

N

N

A

A

K

W

E

D

V

I

A

V

L

L

A

S

Y

Y

A

C

S

W

G

G

V

V

G

G

G

A

R

R

T

S

A

G

I

I

E

K

T

A

T

T

F

F

R

A

D

E

E

E

C

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

V

V

E

E

L

L

V

V

K

K

A

A

G

G

F

F

D

E

T

T

L

L

V

T

E

E

A

A

G

G

Y

Y

E

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

D

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

K

K

V

V

I

I

N

N

A

E

E

Q

S

S

R

R

E

E

A

A

M

M

R

K

I

E

A

I

L

L

K

K

N

R

I

I

Q

Q

S

D

G

G

E

S

Y

F

A

A

K

Q

Q

E

F

F

I

V

L

D

E

D

G

C

Q

N

S

N

G

G

Y

H

P

K

S

R

M

L

T

L

A

E

A

Q

R

R

R

E

N

A

N

I

A

N

E

T

H

H

G

P

I

I

E

E

V

T

G

G

K

A

K

Q

L

I

R

R

T

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 (≠ F24), 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

8k32C The complex structure of slkari with nadh at 2.12-angstrom resolution
53% identity, 96% coverage: 2:327/338 of query aligns to 2:332/333 of 8k32C

query
sites
8k32C

N

R

V

M

Y

Y

D

D

K

A

D

D

C

A

N

N

L

L

S

D

I

L

Q

K

G

G

K

K

K

T

V

I

A

A

I

V

I

I

G

G

F
x
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

Q

A

A

A

Q

N

N

L

L

K

H

D

D

S

S

G

G

V

L

D

E

V

V

T

V

V

V

G

G

L

L

R
|
R

A

K

G

P

S

E

S

D

I

F

A

T

K

T

A

A

E
|
E

-

W

-

N

-

Q

-

V

G

A

Y

D

G

G

L

L

K

T

T

P

A

L

D

P

V

V

A

D

T

E

A

A

V

A

A

R

G

A

A

A

D

Q

V

I

M

Q

I

I

L
|
L

T
x
V

P
|
P

D
|
D

E

D

F

I

Q

Q

S

A

V

K

L
x
V

Y

Y

K

R

E

E

E

K

I

I

E

E

P

P

N

Y

I

L

K

N

Q

E

G

G

A

D

V

A

L

L

A

G

F

F

A
x
S

H
|
H

G

G

F

F

A

N

I

I

I

H

Y

F

N

G

Q

Q

V

I

A

V

P

P

R

P

K

P

D

S

L

V

D

D

V

V

I

F

M

M

I

V

A

A

P

P

K

K

A

S

P

P

G

G

H

H

T

L

V

V

R

R

S

R

E

M

F

Y

V

R

R

Q

G

G

G

V

G

G

V

V

P

P

D

G

L

L

I

I

A

A

I

V

H

H

Q

N

D

D

A

H

S

T

G

G

N

K

A

A

K

L

E

E

V

T

A

G

L

L

A

A

Y

Y

A

A

S

K

G

G

V

I

G

G

G

C

G

T

R

R

T

A

A

G

I

V

I

I

E

A

T

T

F

F

R

K

D

E

E

E

C

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

C

V

V

L

L

C

C

G

G

A

V

V

T

E

E

L

L

V

I

K

K

A

A

G

G

F

F

D

D

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

E

Q

P

P

E

E

M

I

A

A

Y

Y

F

F

E
|
E

C

C

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

M

I

F

Y

E

E

G

G

I

I

A

G

D

L

M

M

N

R

Y

Y

S

S

I

V

S

S

N

D

N

T

A

A

E

E

Y

Y

G

G

E

D

Y

L

V

T

T

V

G

G

P

P

K

R

V

I

I

I

N

N

A

E

E

N

S

T

R

R

E

A

A

E

M

M

R

K

I

K

A

V

L

L

K

A

N

A

I

I

Q

Q

S

D

G

G

E

T

Y

F

A

A

K

R

Q

E

F

L

I

L

L

L

E

E

G

F

Q

Q

S

V

G

G

Y

R

P

P

S

V

M

F

T

S

A

A

A

L

R

R

N

K

N

G

A

Q

E

E

H

H

G

L

I

I

E

E

V

K

V

V

G

G

K

K

K

E

L

L

R

R

T

A

M

M

P

P

W

W

I

L

binding magnesium ion: D195 (= D190), E199 (= E194), E231 (= E226), E235 (= E230)
binding 1,4-dihydronicotinamide adenine dinucleotide: Y24 (≠ F24), G25 (= G25), S26 (= S26), Q27 (= Q27), R47 (= R47), E57 (= E57), L84 (= L79), V85 (≠ T80), P86 (= P81), D87 (= D82), V93 (≠ L88), S111 (≠ A106), H112 (= H107)

8ep7C Crystal structure of the ketol-acid reductoisomerase from bacillus anthracis in complex with NADP
56% identity, 97% coverage: 1:329/338 of query aligns to 1:328/328 of 8ep7C

query
sites
8ep7C

M

M

N

K

V

T

Y

Y

D

E

K

Q

D

D

C

A

N

N

L

V

S

G

I

L

Q

Q

G

G

K

K

K

T

V

V

A

A

I

V

I

I

G

G

F
x
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

Q

A

A

A

Q

N

N

L

L

K

R

D

D

S

S

G

G

V

V

D

E

V

V

T

V

V

V

G

G

L

V

R
|
R

A

P

G

G

S

K

S
|
S

-

F

S

E

I

V

A

A

K

K

A

A

E

D

G

G

Y

F

G

-

L

-

K

E

T

V

A

M

D

S

V

V

A

S

T

E

A

A

V

V

A

R

G

T

A

A

D

Q

V

V

M

Q

I

M

L
|
L

T
x
L

P
|
P

D
|
D

E

E

F
x
Q

Q

Q

S

A

V

H

L
x
V

Y

Y

K

K

E

A

E

E

I

V

E

E

P

E

N

N

I

L

K

R

Q

E

G

G

A

Q

V

M

L

L

A

L

F

F

A

S

H
|
H

G

G

F

F

A

N

I

I

I

H

Y

F

N

G

Q

Q

V

I

A

N

P

P

R

P

K

S

D

Y

L

V

D

D

V

V

I

A

M

M

I

V

A

A

P

P

K

K

A

S

P

P

G

G

H

H

T

L

V

V

R

R

S

R

E

V

F

F

V

Q

R

E

G

G

G

N

G

G

V

V

P

P

D

A

L

L

I

V

A

A

I

V

H

H

Q

Q

D

D

A

A

S

T

G

G

N

T

A

A

K

L

E

H

V

V

A

A

L

L

A

A

Y

Y

A

A

S

K

G

G

V

V

G

G

G

C

G

T

R

R

T

A

A

G

I

V

I

I

E

E

T

T

F

F

R

Q

D

E

E

E

C

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

V

T

E

A

L

L

V

V

K

K

A

A

G

G

F

F

D

E

T

T

L

L

V

T

E

E

A

G

G

G

Y

Y

E

R

P

P

E

E

M

I

A

A

Y

Y

F

F

E

E

C

C

L

L

H

H

E

E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

M

M

F

Y

E

E

G

G

I

L

A

T

D

N

M

M

N

R

Y

H

S

S

I

I

S

S

N

D

N

T

A

A

E

E

Y

F

G

G

E

D

Y

Y

V

V

T

T

G

G

P

S

K

R

V

I

I

V

N

T

A

D

E

E

S

T

R

K

E

K

A

E

M

M

R

K

I

R

A

V

L

L

K

T

N

E

I

I

Q

Q

S

Q

G

G

E

E

Y

F

A

A

K

K

Q

K

F

W

I

I

L

L

E

E

G

N

Q

Q

S

A

G

G

Y

R

P

P

S

T

M

Y

T

N

A

A

A

M

R

K

N

A

N

E

A

Q

E

N

H

H

G

Q

I

L

E

E

V

K

V

V

G

G

K

E

L

L

R

R

T

E

M

M

P

S

W

W

I

I

A

H

A

A

binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (≠ F24), G25 (= G25), S26 (= S26), Q27 (= Q27), R47 (= R47), S51 (= S51), L78 (= L79), L79 (≠ T80), P80 (= P81), D81 (= D82), Q83 (≠ F84), V87 (≠ L88), H106 (= H107)

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)
54% identity, 97% coverage: 1:327/338 of query aligns to 3:329/337 of P9WKJ7

query
sites
P9WKJ7

M

L

N

E

V

M

Y

F

Y

Y

D

D

K

D

D

D

C

A

N

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

F

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

S

A

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

A

Q

G

G

S

S

S

R

S

S

I

R

A

P

K

K

A

V

E

E

G

E

Y

Q

G

G

L

L

K

D

T

V

A

D

D

T

V

P

A

A

T

E

A

V

V

A

A

K

G

W

A

A

D

D

V

V

M

M

I

V

L

L

T

A

P

P

D

D

E

T

F

A

Q

Q

S

A

V

E

L

I

Y

F

K

A

E

G

E

D

I

I

E

E

P

P

N

N

I

L

K

K

Q

P

G

G

A

D

V

A

L

L

A

F

F

F

A

G

H

H

G

G

F

L

A

N

I

V

I

H

Y

F

N

G

Q

L

V

I

A

K

P

P

R

P

K

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

R

D

G

G

G

K

G

G

V

V

P

P

D

C

L

L

I

V

A

A

I

V

H

E

Q

Q

D

D

A

P

S

R

G

G

N

D

A

G

K

L

E

A

V

L

A

A

L

L

A

S

Y

Y

A

A

S

K

G

A

V

I

G

G

G

T

R

R

T

A

A

G

I

V

I

I

E

K

T

T

F

F

R

K

D

D

E

E

C

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

A

T

V

E

E

E

L

L

V

V

K

K

A

A

G

G

F

F

D

E

T

V

L

M

V

V

E

E

A

A

G

G

Y

Y

E

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

D

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

K

R

V

V

I

I

N

D

A

A

E

G

S

T

R

K

E

E

A

R

M

M

R

R

I

D

A

I

L

L

K

R

N

E

I

I

Q

Q

S

D

G

G

E

S

Y

F

A

V

K

H

Q

K

F

L

I

V

L

A

E

D

G

V

Q

E

S

G

G

G

Y

N

P

K

S

Q

M

L

T

E

A

E

A

L

R

R

N

Q

N

N

A

A

E

E

H

H

G

P

I

I

E

E

V

V

G

G

K

K

L

L

R

R

T

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)
54% identity, 96% coverage: 3:327/338 of query aligns to 1:325/325 of 4ypoA

query
sites
4ypoA

V

M

Y

F

Y

Y

D

D

K

D

D

D

C

A

N

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

F

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

S

A

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

A

Q

G

G

S

S

S

R

S

S

I

R

A

P

K

K

A

V

E

E

G

E

Y

Q

G

G

L

L

K

D

T

V

A

D

D

T

V

P

A

A

T

E

A

V

V

A

A

K

G

W

A

A

D

D

V

V

M

M

I

V

L

L

T

A

P

P

D

D

E

T

F

A

Q

Q

S

A

V

E

L

I

Y

F

K

A

E

G

E

D

I

I

E

E

P

P

N

N

I

L

K

K

Q

P

G

G

A

D

V

A

L

L

A

F

F

F

A

G

H

H

G

G

F

L

A

N

I

V

I

H

Y

F

N

G

Q

L

V

I

A

K

P

P

R

P

K

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

R

D

G

G

G

K

G

G

V

V

P

P

D

C

L

L

I

V

A

A

I

V

H

E

Q

Q

D

D

A

P

S

R

G

G

N

D

A

G

K

L

E

A

V

L

A

A

L

L

A

S

Y

Y

A

A

S

K

G

A

V

I

G

G

G

T

R

R

T

A

A

G

I

V

I

I

E

K

T

T

F

F

R

K

D

D

E

E

C

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

A

T

V

E

E

E

L

L

V

V

K

K

A

A

G

G

F

F

D

E

T

V

L

M

V

V

E

E

A

A

G

G

Y

Y

E

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

D

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

K

R

V

V

I

I

N

D

A

A

E

G

S

T

R

K

E

E

A

R

M

M

R

R

I

D

A

I

L

L

K

R

N

E

I

I

Q

Q

S

D

G

G

E

S

Y

F

A

V

K

H

Q

K

F

L

I

V

L

A

E

D

G

V

Q

E

S

G

G

G

Y

N

P

K

S

Q

M

L

T

E

A

E

A

L

R

R

N

Q

N

N

A

A

E

E

H

H

G

P

I

I

E

E

V

V

G

G

K

K

L

L

R

R

T

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)

6bulB Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 2
54% identity, 96% coverage: 3:327/338 of query aligns to 3:326/327 of 6bulB

query
sites
6bulB

V

V

Y

Y

D

D

K

Q

D

D

C

V

N

K

L

T

S

D

I

A

I

L

Q

Q

G

G

K

K

V

I

A

A

I

V

G

G

F
x
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

A

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

A

P

G

G

S

R

S
|
S

S

-

I

F

A

D

K

K

A

A

E

K

G

E

Y

D

G

G

L

F

K

D

T

V

A

F

D

P

V

V

A

A

T

E

A

A

V

V

A

K

G

Q

A

A

D

D

V

V

V

I

M

M

I

V

L
|
L

T
x
L

P
|
P

D
|
D

E

E

F

I

Q

Q

S

G

V

D

L

V

Y

Y

K

K

E

N

E

E

I

I

E

E

P

P

N

N

I

L

K

E

Q

K

G

H

A

N

V

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

A

N

I

I

I

H

Y

F

N

G

Q

V

V

I

A

Q

P

P

R

P

K

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

R

E

G

G

G

S

G

A

V

V

P

P

D

S

L

L

I

F

A

G

I

I

H

Q

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

K

R

E

N

V

I

A

A

L

L

A

S

Y

Y

A

A

S

K

G

G

V

I

G

G

G

A

G

T

R

R

T

A

A

G

I

V

I

I

E

E

T

T

F

F

R

K

D

E

E

E

C

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

V

S

E

K

L

L

V

I

K

Q

A

S

G

G

F

F

D

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

E

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

D

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

K

R

V

V

I

I

N

T

A

P

E

D

S

V

R

K

E

E

A

N

M

M

R

K

I

A

A

V

L

L

K

T

N

D

I

I

Q

Q

S

N

G

G

E

N

Y

F

A

S

K

N

Q

R

F

F

I

I

L

E

E

D

G

N

Q

K

S

N

G

G

Y

F

P

K

S

E

M

F

T

Y

A

K

A

L

R

R

R

E

N

E

N

Q

A

H

E

G

H

H

G

Q

I

I

E

E

V

K

V

V

G

G

K

R

K

E

L

L

R

R

T

E

M

M

P

P

W

F

I

I

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), E229 (= E230), I233 (= I234), I249 (= I250), S250 (= S251), A253 (= A254)
binding oxo{[(1S)-1-phenylethyl]amino}acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), E229 (= E230), I233 (= I234), I249 (= I250), S250 (= S251), A253 (= A254)
binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (≠ F24), 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)

6vo2A Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex with mg, NADPH and inhibitor. (see paper)
54% identity, 96% coverage: 3:327/338 of query aligns to 3:326/326 of 6vo2A

query
sites
6vo2A

V

V

Y

Y

D

D

K

Q

D

D

C

V

N

K

L

T

S

D

I

A

I

L

Q

Q

G

G

K

K

V

I

A

A

I

V

G

G

F
x
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

A

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

A

P

G

G

S

R

S
|
S

S

-

I

F

A

D

K

K

A

A

E

K

G

E

Y

D

G

G

L

F

K

D

T

V

A

F

D

P

V

V

A

A

T

E

A

A

V

V

A

K

G

Q

A

A

D

D

V

V

V

I

M

M

I

V

L
|
L

T
x
L

P
|
P

D
|
D

E

E

F

I

Q

Q

S

G

V

D

L

V

Y

Y

K

K

E

N

E

E

I

I

E

E

P

P

N

N

I

L

K

E

Q

K

G

H

A

N

V

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

A

N

I

I

I

H

Y

F

N

G

Q

V

V

I

A

Q

P

P

R

P

K

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

R

E

G

G

G

S

G

A

V

V

P

P

D

S

L

L

I

F

A

G

I

I

H

Q

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

K

R

E

N

V

I

A

A

L

L

A

S

Y

Y

A

A

S

K

G

G

V

I

G

G

G

A

G

T

R

R

T

A

A

G

I

V

I

I

E

E

T

T

F

F

R

K

D

E

E

E

C

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

V

S

E

K

L

L

V

I

K

Q

A

S

G

G

F

F

D

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

E

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

D

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

K

R

V

V

I

I

N

T

A

P

E

D

S

V

R

K

E

E

A

N

M

M

R

K

I

A

A

V

L

L

K

T

N

D

I

I

Q

Q

S

N

G

G

E

N

Y

F

A

S

K

N

Q

R

F

F

I

I

L

E

E

D

G

N

Q

K

S

N

G

G

Y

F

P

K

S

E

M

F

T

Y

A

K

A

L

R

R

R

E

N

E

N

Q

A

H

E

G

H

H

G

Q

I

I

E

E

V

K

V

V

G

G

K

R

K

E

L

L

R

R

T

E

M

M

P

P

W

F

I

I

binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (≠ F24), 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
54% identity, 96% coverage: 3:327/338 of query aligns to 3:326/326 of 6c5nA

query
sites
6c5nA

V

V

Y

Y

D

D

K

Q

D

D

C

V

N

K

L

T

S

D

I

A

I

L

Q

Q

G

G

K

K

V

I

A

A

I

V

G

G

F
x
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

A

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

A

P

G

G

S

R

S
|
S

S

-

I

F

A

D

K

K

A

A

E

K

G

E

Y

D

G

G

L

F

K

D

T

V

A

F

D

P

V

V

A

A

T

E

A

A

V

V

A

K

G

Q

A

A

D

D

V

V

V

I

M

M

I

V

L
|
L

T
x
L

P
|
P

D
|
D

E

E

F

I

Q

Q

S

G

V

D

L

V

Y

Y

K

K

E

N

E

E

I

I

E

E

P

P

N

N

I

L

K

E

Q

K

G

H

A

N

V

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

A

N

I

I

I

H

Y

F

N

G

Q

V

V

I

A

Q

P

P

R

P

K

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

R

E

G

G

G

S

G

A

V

V

P

P

D

S

L

L

I

F

A

G

I

I

H

Q

Q

Q

D

D

A

A

S

S

G

G

N

Q

A

A

K

R

E

N

V

I

A

A

L

L

A

S

Y

Y

A

A

S

K

G

G

V

I

G

G

G

A

G

T

R

R

T

A

A

G

I

V

I

I

E

E

T

T

F

F

R

K

D

E

E

E

C

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

V

S

E

K

L

L

V

I

K

Q

A

S

G

G

F

F

D

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

E

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

D

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

K

R

V

V

I

I

N

T

A

P

E

D

S

V

R

K

E

E

A

N

M

M

R

K

I

A

A

V

L

L

K

T

N

D

I

I

Q

Q

S

N

G

G

E

N

Y

F

A

S

K

N

Q

R

F

F

I

I

L

E

E

D

G

N

Q

K

S

N

G

G

Y

F

P

K

S

E

M

F

T

Y

A

K

A

L

R

R

R

E

N

E

N

Q

A

H

E

G

H

H

G

Q

I

I

E

E

V

K

V

V

G

G

K

R

K

E

L

L

R

R

T

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 (≠ F24), 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)

Query Sequence

>WP_019555839.1 NCBI__GCF_000381085.1:WP_019555839.1
MNVYYDKDCNLSIIQGKKVAIIGFGSQGHAHAANLKDSGVDVTVGLRAGSSSIAKAEGYG
LKTADVATAVAGADVVMILTPDEFQSVLYKEEIEPNIKQGAVLAFAHGFAIIYNQVAPRK
DLDVIMIAPKAPGHTVRSEFVRGGGVPDLIAIHQDASGNAKEVALAYASGVGGGRTAIIE
TTFRDECETDLFGEQAVLCGGAVELVKAGFDTLVEAGYEPEMAYFECLHELKLIVDLMFE
GGIADMNYSISNNAEYGEYVTGPKVINAESREAMRIALKNIQSGEYAKQFILEGQSGYPS
MTAARRNNAEHGIEVVGKKLRTMMPWIAANKIVDQDKN

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