SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_066920219.1 NCBI__GCF_001579945.1:WP_066920219.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

C8WR67 Ketol-acid reductoisomerase (NADP(+)); KARI; Acetohydroxy-acid isomeroreductase; AHIR; Alpha-keto-beta-hydroxylacyl reductoisomerase; Ketol-acid reductoisomerase type 1; Ketol-acid reductoisomerase type I; EC 1.1.1.86 from Alicyclobacillus acidocaldarius subsp. acidocaldarius (strain ATCC 27009 / DSM 446 / BCRC 14685 / JCM 5260 / KCTC 1825 / NBRC 15652 / NCIMB 11725 / NRRL B-14509 / 104-IA) (Bacillus acidocaldarius) (see paper)
56% identity, 99% coverage: 2:327/330 of query aligns to 3:328/344 of C8WR67

query
sites
C8WR67

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YGSQ 25:28 (= YGSQ 24:27) binding NADP(+)
R48 (= R47) binding NADP(+); mutation to P: Inversion of the cofactor specificity from NADPH to NADH.
S52 (= S52) binding NADP(+); mutation to D: Inversion of the cofactor specificity from NADPH to NADH.
DERQ 82:85 (≠ DLTQ 82:85) binding NADP(+)
G133 (= G132) binding NADP(+)
D190 (= D189) binding Mg(2+)
E194 (= E193) binding Mg(2+)
E226 (= E225) binding Mg(2+)

4tskA Ketol-acid reductoisomerase from alicyclobacillus acidocaldarius (see paper)
56% identity, 99% coverage: 2:327/330 of query aligns to 2:327/333 of 4tskA

query
sites
4tskA

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active site: K129 (= K129), D189 (= D189), E193 (= E193)
binding magnesium ion: D189 (= D189), D189 (= D189), E193 (= E193), E193 (= E193), R246 (≠ H246), Y247 (≠ Q247), I249 (= I249), D251 (≠ E251), Q254 (≠ K254)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), L46 (≠ V46), R47 (= R47), S51 (= S52), L78 (= L79), L79 (≠ T80), P80 (= P81), D81 (= D82), H106 (= H106), P131 (= P131)

8ep7C Crystal structure of the ketol-acid reductoisomerase from bacillus anthracis in complex with NADP
55% identity, 99% coverage: 1:327/330 of query aligns to 1:327/328 of 8ep7C

query
sites
8ep7C

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binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), R47 (= R47), S51 (= S52), L78 (= L79), L79 (≠ T80), P80 (= P81), D81 (= D82), Q83 (≠ T84), V87 (= V88), H106 (= H106)

4xiyA Crystal structure of ketol-acid reductoisomerase from azotobacter (see paper)
52% identity, 99% coverage: 1:326/330 of query aligns to 1:327/328 of 4xiyA

query
sites
4xiyA

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E
|
E

C

C

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

L

M

H

F

E

E

G

G

L

I

A

A

K

N

M

M

H

N

Q

Y

F

S

I

I

S

S

E

N

T

N

A

A

K

E

Y

Y

G

G

D

E

L

Y

T

V

R

T

G

G

P

P

R

E

I

V

V

I

N

N

A

E

A

Q

T

S

K

R

R

Q

E

A

M

M

K

R

K

N

V

A

L

L

K

K

E

R

I

I

Q

Q

D

D

G

G

K

E

F

Y

A

A

R

K

Q

M

W

F

I

I

A

T

E

E

N

G

K

A

R

A

G

N

R

Y

K

P

R

S

Y

M

K

T

Q

A

L

Y

M

R

N

R

K

N

D

N

L

A

K

A

H

H

K

Q

I

I

E

E

K

V

V

V

G

G

V

E

K

K

L

L

R

R

R

T

R

M

M

M

P

P

W

W

L

I

active site: K130 (= K129), D190 (= D189), E194 (= E193)
binding fe (iii) ion: D190 (= D189), E194 (= E193)
binding magnesium ion: E226 (= E225), E230 (= E229)

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)
52% identity, 99% coverage: 1:326/330 of query aligns to 1:327/338 of C1DFH7

query
sites
C1DFH7

M

M

Q

K

I

V

Y

Y

S

Y

Q

D

K

K

D

D

V

C

K

D

K

L

K

S

A

I

L

I

K

Q

G

S

A

K

R

K

I

V

A

A

I

I

L

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

R

H

A

A

H

H

A

A

L

C

N

N

L

L

K

K

D

D

S

S

G

G

F

V

D

D

V

V

V

Y

V

V

G

G

V

L

R

R

K

A

N

G

G

S

D

A

S

S

W

V

K

A

N

K

A

A

K

E

K

A

D

H

G

G

L

L

P

T

V

V

A

K

E

S

P

V

A

K

D

D

A

A

V

V

K

A

G

A

A

A

A

D

L

V

I

V

A

M

F

I

L

L

T

T

P

P

D

D

L

E

T

F

Q

Q

K

G

D

R

V

L

Y

Y

A

K

E

D

V

E

I

I

D

E

-

P

N

N

I

L

A

K

K

K

G

G

A

A

T

T

I

L

L

A

F

F

A

A

H

H

G

G

F

F

N

S

V

I

H

H

F

Y

K

N

Q

Q

I

V

K

V

P

P

R

R

Q

A

D

D

L

L

D

D

V

V

V

I

L

M

I

I

A

A

P

P

K

K

G

A

P

P

G

G

G

H

L

T

V

V

R

R

R

S

Q

E

Y

F

Q

V

Q

R

G

G

R

G

G

G

V

I

P

P

C

D

L

L

M

I

A

A

V

V

Y

Y

Q

Q

N

D

A

A

T

S

R

G

K

N

A

A

K

K

D

N

N

L

A

A

L

L

A

S

Y

Y

A

A

D

C

G

G

I

V

G

G

T

G

R

R

G

T

G

G

V

I

L

I

T

E

T

T

F

F

A

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

T

V

E

E

L

L

V

V

V

K

K

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

A

P

P

E

E

V

M

A

A

Y

Y

Y

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

L

M

H

F

E

E

G

G

L

I

A

A

K

N

M

M

H

N

Q

Y

F

S

I

I

S

S

E

N

T

N

A

A

K

E

Y

Y

G

G

D

E

L

Y

T

V

R

T

G

G

P

P

R

E

I

V

V

I

N

N

A

E

A

Q

T

S

K

R

R

Q

E

A

M

M

K

R

K

N

V

A

L

L

K

K

E

R

I

I

Q

Q

D

D

G

G

K

E

F

Y

A

A

R

K

Q

M

W

F

I

I

A

T

E

E

N

G

K

A

R

A

G

N

R

Y

K

P

R

S

Y

M

K

T

Q

A

L

Y

M

R

N

R

K

N

D

N

L

A

K

A

H

H

K

Q

I

I

E

E

K

V

V

V

G

G

V

E

K

K

L

L

R

R

R

T

R

M

M

M

P

P

W

W

L

I

D190 (= D189) binding Mg(2+)
E226 (= E225) binding Mg(2+)
E230 (= E229) binding Mg(2+)

6vo2A Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex with mg, NADPH and inhibitor. (see paper)
54% identity, 98% coverage: 3:326/330 of query aligns to 3:326/326 of 6vo2A

query
sites
6vo2A

I

V

Y

Y

S

Y

Q

D

K

Q

D

D

V

V

K

K

K

T

K

D

A

A

L

L

K

Q

G

G

A

K

R

K

I

I

A

A

I

V

L

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

R

H

A

A

H

H

A

A

L

Q

N

N

L

L

K

K

D

D

S

N

G

G

F

Y

D

D

V

V

V

I

G

G

V
x
I

R
|
R

K

P

N

-

G

G

D

R

S
|
S

W

F

K

D

N

K

A

A

K

K

K

E

D

D

G

G

L

F

P

D

V

V

A

F

E

P

P

V

A

A

D

E

A

A

V

V

K

K

G

Q

A

A

A

D

L

V

I

I

A

M

F

V

L
|
L

T
x
L

P
|
P

D
|
D

L

E

T

I

Q

Q

K

G

D

D

V

V

Y

Y

-

K

A

N

E

E

V

I

I

E

D

P

N

N

I

L

A

E

K

K

G

H

A

N

T

A

I

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

G

Q

V

I

I

K

Q

P

P

R

P

Q

A

D

D

L

V

D

D

V

V

V

F

L

L

I

V

A

A

P

P

K

K

G
|
G

P
|
P

G

G

G

H

L

L

V

V

R

R

Q

T

Y

F

Q

V

Q

E

G

G

R

S

G

A

V

V

P

P

C

S

L

L

M

F

A

G

V

I

Y

Q

Q

Q

N

D

A

A

T

S

R

G

K

Q

A

A

K

R

D

N

N

I

A

A

L

L

A

S

Y

Y

A

A

D

K

G

G

I

I

G

G

G

A

T

T

R

R

G

A

G

G

V

V

L

I

T

E

T

T

F

F

A

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

T

S

E

K

L

L

V

I

V

Q

K

S

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

V

L

A

A

Y

Y

Y

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

L

M

H

Y

E

E

G

G

L

M

A

E

K

N

M

V

H

R

Q

Y

F

S

I
|
I

S
|
S

E

N

T

T

A
|
A

K

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

I

V

V

I

N

T

A

P

A

D

T

V

K

K

R

E

E

N

M

M

K

K

K

A

V

V

L

L

K

T

E

D

I

I

Q

Q

D

N

G

G

K

N

F

F

A

S

R

N

Q

R

W

F

I

I

A

E

E

D

N

N

K

K

R

N

G

G

R

F

K

K

R

E

Y

F

K

Y

Q

K

L

L

M

R

N

E

K

E

D

Q

L

H

K

G

H

H

K

Q

I

I

E

E

K

K

V

V

G

G

V

R

K

E

L

L

R

R

R

E

R

M

M

M

P

P

W

F

L

I

binding magnesium ion: D189 (= D189), E193 (= E193)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ V46), R47 (= R47), S51 (= S52), L78 (= L79), L79 (≠ T80), P80 (= P81), D81 (= D82), H106 (= H106), P131 (= P131), I249 (= I249), S250 (= S250)
binding 3-(methylsulfonyl)-2-oxopropanoic acid: G130 (= G130), P131 (= P131), D189 (= D189), E193 (= E193), E229 (= E229), I249 (= I249), S250 (= S250), A253 (= A253)

6c5nA Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1
54% identity, 98% coverage: 3:326/330 of query aligns to 3:326/326 of 6c5nA

query
sites
6c5nA

I

V

Y

Y

S

Y

Q

D

K

Q

D

D

V

V

K

K

K

T

K

D

A

A

L

L

K

Q

G

G

A

K

R

K

I

I

A

A

I

V

L

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

R

H

A

A

H

H

A

A

L

Q

N

N

L

L

K

K

D

D

S

N

G

G

F

Y

D

D

V

V

V

I

G

G

V
x
I

R
|
R

K

P

N

-

G

G

D

R

S
|
S

W

F

K

D

N

K

A

A

K

K

K

E

D

D

G

G

L

F

P

D

V

V

A

F

E

P

P

V

A

A

D

E

A

A

V

V

K

K

G

Q

A

A

A

D

L

V

I

I

A

M

F

V

L
|
L

T
x
L

P
|
P

D
|
D

L

E

T

I

Q

Q

K

G

D

D

V

V

Y

Y

-

K

A

N

E

E

V

I

I

E

D

P

N

N

I

L

A

E

K

K

G

H

A

N

T

A

I

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

G

Q

V

I

I

K

Q

P

P

R

P

Q

A

D

D

L

V

D

D

V

V

V

F

L

L

I

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

G

H

L

L

V

V

R

R

Q

T

Y

F

Q

V

Q

E

G

G

R

S

G

A

V

V

P

P

C

S

L

L

M

F

A

G

V

I

Y

Q

Q

Q

N

D

A

A

T

S

R

G

K

Q

A

A

K

R

D

N

N

I

A

A

L

L

A

S

Y

Y

A

A

D

K

G

G

I

I

G

G

G

A

T

T

R

R

G

A

G

G

V

V

L

I

T

E

T

T

F

F

A

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

T

S

E

K

L

L

V

I

V

Q

K

S

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

V

L

A

A

Y

Y

Y

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

L

M

H

Y

E

E

G

G

L

M

A

E

K

N

M

V

H

R

Q

Y

F
x
S

I
|
I

S
|
S

E

N

T

T

A
|
A

K

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

I

V

V

I

N

T

A

P

A

D

T

V

K

K

R

E

E

N

M

M

K

K

K

A

V

V

L

L

K

T

E

D

I

I

Q

Q

D

N

G

G

K

N

F

F

A

S

R

N

Q

R

W

F

I

I

A

E

E

D

N

N

K

K

R

N

G

G

R

F

K

K

R

E

Y

F

K

Y

Q

K

L

L

M

R

N

E

K

E

D

Q

L

H

K

G

H

H

K

Q

I

I

E

E

K

K

V

V

G

G

V

R

K

E

L

L

R

R

R

E

R

M

M

M

P

P

W

F

L

I

active site: K129 (= K129), D189 (= D189), E193 (= E193)
binding (cyclopentylamino)(oxo)acetic acid: P131 (= P131), D189 (= D189), E193 (= E193), C198 (= C198), E229 (= E229), I233 (= I233), I249 (= I249), S250 (= S250), A253 (= A253)
binding [cyclopentyl(hydroxy)amino](oxo)acetic acid: P131 (= P131), D189 (= D189), E193 (= E193), C198 (= C198), E229 (= E229), I249 (= I249), S250 (= S250), A253 (= A253)
binding magnesium ion: D189 (= D189), E193 (= E193)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ V46), R47 (= R47), S51 (= S52), L78 (= L79), L79 (≠ T80), P80 (= P81), D81 (= D82), H106 (= H106), P131 (= P131), S248 (≠ F248), I249 (= I249), S250 (= S250)

6c55A Crystal structure of staphylococcus aureus ketol-acid reductosimerrase with hydroxyoxamate inhibitor 3
54% identity, 98% coverage: 3:326/330 of query aligns to 3:326/326 of 6c55A

query
sites
6c55A

I

V

Y

Y

S

Y

Q

D

K

Q

D

D

V

V

K

K

K

T

K

D

A

A

L

L

K

Q

G

G

A

K

R

K

I

I

A

A

I

V

L

V

G

G

Y

Y

G
|
G

S
|
S

Q
|
Q

G

G

R

H

A

A

H

H

A

A

L

Q

N

N

L

L

K

K

D

D

S

N

G

G

F

Y

D

D

V

V

V

I

G

G

V
x
I

R
|
R

K

P

N

-

G

G

D

R

S
|
S

W

F

K

D

N

K

A

A

K

K

K

E

D

D

G

G

L

F

P

D

V

V

A

F

E

P

P

V

A

A

D

E

A

A

V

V

K

K

G

Q

A

A

A

D

L

V

I

I

A

M

F

V

L

L

T
x
L

P
|
P

D
|
D

L

E

T
x
I

Q

Q

K

G

D

D

V

V

Y

Y

-

K

A

N

E

E

V

I

I

E

D

P

N

N

I

L

A

E

K

K

G

H

A

N

T

A

I

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

G

Q

V

I

I

K

Q

P

P

R

P

Q

A

D

D

L

V

D

D

V

V

V

F

L

L

I

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

G

H

L

L

V

V

R

R

Q

T

Y

F

Q

V

Q

E

G

G

R

S

G

A

V

V

P

P

C

S

L

L

M

F

A

G

V

I

Y

Q

Q

Q

N

D

A

A

T

S

R

G

K

Q

A

A

K

R

D

N

N

I

A

A

L

L

A

S

Y

Y

A

A

D

K

G

G

I

I

G

G

G

A

T

T

R

R

G

A

G

G

V

V

L

I

T

E

T

T

F

F

A

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

T

S

E

K

L

L

V

I

V

Q

K

S

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

V

L

A

A

Y

Y

Y

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

L

M

H

Y

E

E

G

G

L

M

A

E

K

N

M

V

H

R

Q

Y

F
x
S

I
|
I

S
|
S

E

N

T

T

A
|
A

K

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

I

V

V

I

N

T

A

P

A

D

T

V

K

K

R

E

E

N

M

M

K

K

K

A

V

V

L

L

K

T

E

D

I

I

Q

Q

D

N

G

G

K

N

F

F

A

S

R

N

Q

R

W

F

I

I

A

E

E

D

N

N

K

K

R

N

G

G

R

F

K

K

R

E

Y

F

K

Y

Q

K

L

L

M

R

N

E

K

E

D

Q

L

H

K

G

H

H

K

Q

I

I

E

E

K

K

V

V

G

G

V

R

K

E

L

L

R

R

R

E

R

M

M

M

P

P

W

F

L

I

active site: K129 (= K129), D189 (= D189), E193 (= E193)
binding [cyclohexyl(hydroxy)amino](oxo)acetic acid: P131 (= P131), D189 (= D189), E193 (= E193), C198 (= C198)
binding (cyclohexylamino)(oxo)acetic acid: P131 (= P131), D189 (= D189), E193 (= E193), C198 (= C198), I249 (= I249), S250 (= S250), A253 (= A253)
binding magnesium ion: D189 (= D189), E193 (= E193)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ V46), R47 (= R47), S51 (= S52), L79 (≠ T80), P80 (= P81), D81 (= D82), I83 (≠ T84), H106 (= H106), S248 (≠ F248), S250 (= S250)

6aqjA Crystal structures of staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity. (see paper)
54% identity, 98% coverage: 3:326/330 of query aligns to 3:326/326 of 6aqjA

query
sites
6aqjA

I

V

Y

Y

S

Y

Q

D

K

Q

D

D

V

V

K

K

K

T

K

D

A

A

L

L

K

Q

G

G

A

K

R

K

I

I

A

A

I

V

L

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

R

H

A

A

H

H

A

A

L

Q

N

N

L

L

K

K

D

D

S

N

G

G

F

Y

D

D

V

V

V

I

G

G

V
x
I

R
|
R

K

P

N

-

G

G

D

R

S
|
S

W

F

K

D

N

K

A

A

K

K

K

E

D

D

G

G

L

F

P

D

V

V

A

F

E

P

P

V

A

A

D

E

A

A

V

V

K

K

G

Q

A

A

A

D

L

V

I

I

A

M

F

V

L
|
L

T
x
L

P
|
P

D
|
D

L

E

T

I

Q

Q

K

G

D

D

V

V

Y

Y

-

K

A

N

E

E

V

I

I

E

D

P

N

N

I

L

A

E

K

K

G

H

A

N

T

A

I

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

G

Q

V

I

I

K

Q

P

P

R

P

Q

A

D

D

L

V

D

D

V

V

V

F

L

L

I

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

G

H

L

L

V

V

R

R

Q

T

Y

F

Q

V

Q

E

G

G

R

S

G

A

V

V

P

P

C

S

L

L

M

F

A

G

V

I

Y

Q

Q

Q

N

D

A

A

T

S

R

G

K

Q

A

A

K

R

D

N

N

I

A

A

L

L

A

S

Y

Y

A

A

D

K

G

G

I

I

G

G

G

A

T

T

R

R

G

A

G

G

V

V

L

I

T

E

T

T

F

F

A

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

T

S

E

K

L

L

V

I

V

Q

K

S

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

V

L

A

A

Y

Y

Y

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

L

M

H

Y

E

E

G

G

L

M

A

E

K

N

M

V

H

R

Q

Y

F

S

I
|
I

S
|
S

E

N

T

T

A
|
A

K

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

I

V

V

I

N

T

A

P

A

D

T

V

K

K

R

E

E

N

M

M

K

K

K

A

V

V

L

L

K

T

E

D

I

I

Q

Q

D

N

G

G

K

N

F

F

A

S

R

N

Q

R

W

F

I

I

A

E

E

D

N

N

K

K

R

N

G

G

R

F

K

K

R

E

Y

F

K

Y

Q

K

L

L

M

R

N

E

K

E

D

Q

L

H

K

G

H

H

K

Q

I

I

E

E

K

K

V

V

G

G

V

R

K

E

L

L

R

R

R

E

R

M

M

M

P

P

W

F

L

I

active site: K129 (= K129), D189 (= D189), E193 (= E193)
binding oxo(propan-2-ylamino)acetic acid: P131 (= P131), D189 (= D189), E193 (= E193), E229 (= E229), I233 (= I233), I249 (= I249), S250 (= S250), A253 (= A253)
binding n-hydroxy-n-isopropyloxamic acid: P131 (= P131), D189 (= D189), E193 (= E193), E229 (= E229), I249 (= I249), S250 (= S250), A253 (= A253)
binding magnesium ion: D189 (= D189), E193 (= E193)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ V46), R47 (= R47), S51 (= S52), L78 (= L79), L79 (≠ T80), P80 (= P81), D81 (= D82), H106 (= H106), P131 (= P131), I249 (= I249), S250 (= S250)

5w3kA Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, mg2+ and cpd (see paper)
54% identity, 98% coverage: 3:326/330 of query aligns to 3:326/326 of 5w3kA

query
sites
5w3kA

I

V

Y

Y

S

Y

Q

D

K

Q

D

D

V

V

K

K

K

T

K

D

A

A

L

L

K

Q

G

G

A

K

R

K

I

I

A

A

I

V

L

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

R

H

A

A

H

H

A

A

L

Q

N

N

L

L

K

K

D

D

S

N

G

G

F

Y

D

D

V

V

V

I

G

G

V
x
I

R
|
R

K

P

N

-

G

G

D

R

S
|
S

W

F

K

D

N

K

A

A

K

K

K

E

D

D

G

G

L

F

P

D

V

V

A

F

E

P

P

V

A

A

D

E

A

A

V
|
V

K
|
K

G

Q

A
|
A

A

D

L

V

I

I

A

M

F

V

L
|
L

T
x
L

P
|
P

D
|
D

L

E

T

I

Q

Q

K

G

D

D

V

V

Y

Y

-

K

A

N

E

E

V

I

I

E

D

P

N

N

I

L

A

E

K

K

G

H

A
x
N

T

A

I

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

G

Q

V

I

I

K

Q

P

P

R

P

Q

A

D

D

L

V

D

D

V

V

V

F

L

L

I

V

A

A

P

P

K
|
K

G

G

P
|
P

G
|
G

G

H

L

L

V

V

R

R

Q

T

Y

F

Q

V

Q

E

G

G

R

S

G

A

V

V

P

P

C

S

L

L

M

F

A

G

V

I

Y

Q

Q

Q

N

D

A

A

T

S

R

G

K

Q

A

A

K

R

D

N

N

I

A

A

L

L

A

S

Y

Y

A

A

D

K

G

G

I

I

G

G

G

A

T

T

R

R

G

A

G

G

V

V

L

I

T

E

T

T

F

F

A

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

T

S

E

K

L

L

V

I

V

Q

K

S

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

V

L

A

A

Y

Y

Y

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

L

M

H

Y

E

E

G

G

L

M

A

E

K

N

M

V

H

R

Q

Y

F

S

I
|
I

S
|
S

E

N

T

T

A
|
A

K

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

I

V

V

I

N

T

A

P

A

D

T

V

K

K

R

E

E

N

M

M

K

K

K

A

V

V

L

L

K

T

E

D

I

I

Q

Q

D

N

G

G

K

N

F

F

A

S

R

N

Q

R

W

F

I

I

A

E

E

D

N

N

K

K

R

N

G

G

R

F

K

K

R

E

Y

F

K

Y

Q

K

L

L

M

R

N

E

K

E

D

Q

L

H

K

G

H

H

K

Q

I

I

E

E

K

K

V

V

G

G

V

R

K

E

L

L

R

R

R

E

R

M

M

M

P

P

W

F

L

I

active site: K129 (= K129), D189 (= D189), E193 (= E193)
binding cyclopropane-1,1-dicarboxylic acid: D189 (= D189), E193 (= E193), E229 (= E229), I249 (= I249), S250 (= S250), A253 (= A253)
binding magnesium ion: V69 (= V70), K70 (= K71), A72 (= A73), N100 (≠ A100), D189 (= D189), E193 (= E193)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ V46), R47 (= R47), S51 (= S52), L78 (= L79), L79 (≠ T80), P80 (= P81), D81 (= D82), H106 (= H106), P131 (= P131), G132 (= G132), I249 (= I249), S250 (= S250)

6bulB Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 2
54% identity, 98% coverage: 3:327/330 of query aligns to 3:327/327 of 6bulB

query
sites
6bulB

I

V

Y

Y

S

Y

Q

D

K

Q

D

D

V

V

K

K

K

T

K

D

A

A

L

L

K

Q

G

G

A

K

R

K

I

I

A

A

I

V

L

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

R

H

A

A

H

H

A

A

L

Q

N

N

L

L

K

K

D

D

S

N

G

G

F

Y

D

D

V

V

V

I

G

G

V
x
I

R
|
R

K

P

N

-

G

G

D

R

S
|
S

W

F

K

D

N

K

A

A

K

K

K

E

D

D

G

G

L

F

P

D

V

V

A

F

E

P

P

V

A

A

D

E

A

A

V

V

K

K

G

Q

A

A

A

D

L

V

I

I

A

M

F

V

L
|
L

T
x
L

P
|
P

D
|
D

L

E

T

I

Q

Q

K

G

D

D

V

V

Y

Y

-

K

A

N

E

E

V

I

I

E

D

P

N

N

I

L

A

E

K

K

G

H

A

N

T

A

I

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

G

Q

V

I

I

K

Q

P

P

R

P

Q

A

D

D

L

V

D

D

V

V

V

F

L

L

I

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

G

H

L

L

V

V

R

R

Q

T

Y

F

Q

V

Q

E

G

G

R

S

G

A

V

V

P

P

C

S

L

L

M

F

A

G

V

I

Y

Q

Q

Q

N

D

A

A

T

S

R

G

K

Q

A

A

K

R

D

N

N

I

A

A

L

L

A

S

Y

Y

A

A

D

K

G

G

I

I

G

G

G

A

T

T

R

R

G

A

G

G

V

V

L

I

T

E

T

T

F

F

A

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

T

S

E

K

L

L

V

I

V

Q

K

S

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

V

L

A

A

Y

Y

Y

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

L

M

H

Y

E

E

G

G

L

M

A

E

K

N

M

V

H

R

Q

Y

F
x
S

I
|
I

S
|
S

E

N

T

T

A
|
A

K

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

I

V

V

I

N

T

A

P

A

D

T

V

K

K

R

E

E

N

M

M

K

K

K

A

V

V

L

L

K

T

E

D

I

I

Q

Q

D

N

G

G

K

N

F

F

A

S

R

N

Q

R

W

F

I

I

A

E

E

D

N

N

K

K

R

N

G

G

R

F

K

K

R

E

Y

F

K

Y

Q

K

L

L

M

R

N

E

K

E

D

Q

L

H

K

G

H

H

K

Q

I

I

E

E

K

K

V

V

G

G

V

R

K

E

L

L

R

R

R

E

R

M

M

M

P

P

W

F

L

I

Q

K

active site: K129 (= K129), D189 (= D189), E193 (= E193)
binding {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid: P131 (= P131), D189 (= D189), E193 (= E193), E229 (= E229), I233 (= I233), I249 (= I249), S250 (= S250), A253 (= A253)
binding oxo{[(1S)-1-phenylethyl]amino}acetic acid: P131 (= P131), D189 (= D189), E193 (= E193), E229 (= E229), I233 (= I233), I249 (= I249), S250 (= S250), A253 (= A253)
binding magnesium ion: D189 (= D189), E193 (= E193)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ V46), R47 (= R47), S51 (= S52), L78 (= L79), L79 (≠ T80), P80 (= P81), D81 (= D82), H106 (= H106), P131 (= P131), S248 (≠ F248), I249 (= I249), S250 (= S250)

5e4rA Crystal structure of domain-duplicated synthetic class ii ketol-acid reductoisomerase 2ia_kari-dd (see paper)
53% identity, 98% coverage: 2:323/330 of query aligns to 2:324/466 of 5e4rA

query
sites
5e4rA

Q

K

I

I

Y

Y

S

K

Q

D

K

E

D

D

V

I

K

S

K

L

K

E

A

P

L

I

K

K

G

N

A

K

R

T

I

I

A

A

I

I

L

L

G

G

Y

Y

G
|
G

S
|
S

Q
|
Q

G

G

R

R

A

A

H

W

A

A

L

L

N

N

L

L

K

R

D

D

S

S

G

G

F

L

D

N

V

V

G

G

V

L

R

E

K

R

N

Q

G

G

D

D

S
|
S

W

W

K

R

N

R

A

A

K

I

K

D

D

D

G

G

L

F

P

K

V

P

A

M

E

Y

P

T

A

K

D

D

A

A

V

V

K

A

G

I

A

A

A

D

L

I

I

I

A

V

F

F

L
|
L

T
x
V

P
|
P

D
|
D

L

M

T
x
V

Q

Q

K

K

D

S

V

L

Y

W

A

L

E

N

V

S

I

V

-

K

D

D

N

F

I

M

A

K

K

K

G

G

A

A

T

D

I

L

L

V

F

F

A
|
A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

K

Q

I

I

I

K

E

P

P

R

P

Q

K

D

D

L

S

D

D

V

V

V

Y

L

M

I

I

A

A

P

P

K
|
K

G

S

P
|
P

G

G

G

P

L

I

V

V

R

R

Q

S

Y

Y

Q

E

Q

M

G

G

R

G

G

G

V

V

P

P

C

A

L

L

M

V

A

A

V

V

Y

Y

Q

Q

N

N

A

V

T

S

R

G

K

E

A

A

K

L

D

Q

N

K

A

A

L

L

A

A

Y

I

A

A

D

K

G

G

I

I

G

G

G

C

T

A

R

R

G

A

G

G

V

V

L

I

T

E

T

S

T

T

F

F

A

K

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

V

V

I

L

L

C

V

G

G

A

I

T

M

E

E

L

L

V

I

V

K

K

A

G

S

F

F

E

E

T

T

L

L

V

V

E

E

A

E

G

G

Y

Y

Q

Q

P

P

E

E

V

V

A

A

Y

Y

Y

F

E

E

C

T

L

V

H

N

E

E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

L

I

H

Y

E

E

G

K

G

G

L

L

A

T

K

G

M

M

H

L

Q

R

F

A

I

V

S

S

E

D

T

T

A

A

K

K

Y

Y

G

G

D

G

L

I

T

T

R

V

G

G

P

K

R

F

I

I

V

I

N

D

A

K

A

S

T

V

K

R

R

D

E

K

M

M

K

K

K

I

V

V

L

L

K

E

E

R

I

I

Q

R

D

S

G

G

K

E

F

F

A

A

R

R

Q

E

W

W

I

I

A

K

E

E

N

Y

K

E

R

R

G

G

R

M

K

P

R

T

Y

V

K

F

Q

K

L

E

M

L

N

S

K

E

D

L

L

E

K

G

H

S

K

T

I

I

E

E

K

T

V

V

G

G

V

R

K

K

L

L

R

R

R

E

R

M

M

M

active site: K130 (= K129), D190 (= D189), E194 (= E193)
binding oxo(propan-2-ylamino)acetic acid: P132 (= P131), D190 (= D189), E194 (= E193)
binding magnesium ion: D190 (= D189), E194 (= E193)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G25 (= G25), S26 (= S26), Q27 (= Q27), S52 (= S52), L79 (= L79), V80 (≠ T80), P81 (= P81), D82 (= D82), V84 (≠ T84), A106 (= A105), H107 (= H106), P132 (= P131)

Sites not aligning to the query:

E0SRA9 Ketol-acid reductoisomerase (NAD(P)(+)); KARI; Acetohydroxy-acid isomeroreductase; AHIR; Alpha-keto-beta-hydroxylacyl reductoisomerase; Ketol-acid reductoisomerase type 1; Ketol-acid reductoisomerase type I; EC 1.1.1.383 from Ignisphaera aggregans (strain DSM 17230 / JCM 13409 / AQ1.S1) (see paper)
53% identity, 98% coverage: 2:323/330 of query aligns to 3:325/335 of E0SRA9

query
sites
E0SRA9

Q

K

I

I

Y

Y

S

K

Q

D

K

E

D

D

V

I

K

S

K

L

K

E

A

P

L

I

K

K

G

N

A

K

R

T

I

I

A

A

I

I

L

L

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

R

R

A

A

H

W

A

A

L

L

N

N

L

L

K

R

D

D

S

S

G

G

F

L

D

N

V

V

G

G

V

L

R

E

K
x
R

N

Q

G

G

D

D

S
|
S

W

W

K

R

N

R

A

A

K

I

K

D

D

D

G

G

L

F

P

K

V

P

A

M

E

Y

P

T

A

K

D

D

A

A

V

V

K

A

G

I

A

A

A

D

L

I

I

I

A

V

F

F

L

L

T

V

P

P

D
|
D

L
x
M

T
x
V

Q
|
Q

K

K

D

S

V

L

Y

W

A

L

E

N

V

S

I

V

-

K

D

D

N

F

I

M

A

K

K

K

G

G

A

A

T

D

I

L

L

V

F

F

A

A

H

H

G

G

F

F

N

N

V

I

H

H

F

F

K

K

Q

I

I

I

K

E

P

P

R

P

Q

K

D

D

L

S

D

D

V

V

V

Y

L

M

I

I

A

A

P

P

K

K

G

S

P

P

G
|
G

G

P

L

I

V

V

R

R

Q

S

Y

Y

Q

E

Q

M

G

G

R

G

G

G

V

V

P

P

C

A

L

L

M

V

A

A

V

V

Y

Y

Q

Q

N

N

A

V

T

S

R

G

K

E

A

A

K

L

D

Q

N

K

A

A

L

L

A

A

Y

I

A

A

D

K

G

G

I

I

G

G

G

C

T

A

R

R

G

A

G

G

V

V

L

I

T

E

T

S

T

T

F

F

A

K

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

V

V

I

L

L

C

V

G

G

A

I

T

M

E

E

L

L

V

I

V

K

K

A

G

S

F

F

E

E

T

T

L

L

V

V

E

E

A

E

G

G

Y

Y

Q

Q

P

P

E

E

V

V

A

A

Y

Y

Y

F

E

E

C

T

L

V

H

N

E

E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

L

I

H

Y

E

E

G

K

G

G

L

L

A

T

K

G

M

M

H

L

Q

R

F

A

I

V

S

S