SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_075385748.1 NCBI__GCF_002019605.1:WP_075385748.1 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)
72% identity, 98% coverage: 1:333/340 of query aligns to 1:333/344 of C8WR67

query
sites
C8WR67

M

M

A

E

N

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Y

N

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G

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D

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I

N

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Y

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N

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G

YGSQ 25:28 (= YGSQ 25:28) binding
R48 (= R48) binding ; mutation to P: Inversion of the cofactor specificity from NADPH to NADH.
S52 (= S52) binding ; mutation to D: Inversion of the cofactor specificity from NADPH to NADH.
DERQ 82:85 (≠ DENQ 82:85) binding
G133 (= G133) binding
D190 (= D190) binding
E194 (= E194) binding
E226 (= E226) binding

4tskA Ketol-acid reductoisomerase from alicyclobacillus acidocaldarius (see paper)
72% identity, 97% coverage: 3:333/340 of query aligns to 2:332/333 of 4tskA

query
sites
4tskA

N

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G

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding magnesium ion: D189 (= D190), D189 (= D190), E193 (= E194), E193 (= E194), R246 (= R247), Y247 (= Y248), I249 (= I250), D251 (= D252), Q254 (= Q255)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), L46 (= L47), R47 (= R48), S51 (= S52), L78 (= L79), L79 (= L80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132)

8ep7C Crystal structure of the ketol-acid reductoisomerase from bacillus anthracis in complex with NADP
68% identity, 96% coverage: 5:329/340 of query aligns to 4:328/328 of 8ep7C

query
sites
8ep7C

Y

Y

N

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D

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I

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N

N

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H

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A

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N

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R

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A

A

binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), R47 (= R48), S51 (= S52), L78 (= L79), L79 (= L80), P80 (= P81), D81 (= D82), Q83 (≠ N84), V87 (= V88), H106 (= H107)

6bulB Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 2
65% identity, 96% coverage: 4:328/340 of query aligns to 3:327/327 of 6bulB

query
sites
6bulB

I

V

Y

Y

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D

D

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G

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A

H

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A

A

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Q

N

N

L

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E

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R

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S

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D

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Y

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I

I

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P

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A

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D

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D

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F

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E

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A

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C

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A

A

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F

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E

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D

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M

E

E

G

N

M

V

R

R

Y

Y

S
|
S

I
|
I

S
|
S

D

N

T

T

A
|
A

Q

E

W

F

G

G

D

D

F

Y

V

V

A

S

G

G

P

P

Q

R

V

V

V

I

T

T

E

P

D

D

T

V

K

K

K

E

A

N

M

M

K

K

S

A

I

V

L

L

S

T

D

D

I

I

Q

Q

T

N

G

G

K

N

F

F

A

S

K

N

G

R

W

F

I

I

L

E

E

D

N

N

Q

K

A

N

N

G

R

F

P

K

E

E

F

F

N

Y

A

K

I

L

N

R

E

E

S

E

E

Q

K

H

K

G

H

H

P

Q

I

I

E

E

V

K

V

V

G

G

R

R

E

E

L

L

R

R

E

E

M

M

P

P

F

F

V

I

K

K

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), E229 (= E230), I233 (= I234), I249 (= I250), S250 (= S251), A253 (= A254)
binding oxo{[(1S)-1-phenylethyl]amino}acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), E229 (= E230), I233 (= I234), I249 (= I250), S250 (= S251), A253 (= A254)
binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), I46 (≠ L47), R47 (= R48), S51 (= S52), L78 (= L79), L79 (= L80), 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)
65% identity, 95% coverage: 4:327/340 of query aligns to 3:326/326 of 6vo2A

query
sites
6vo2A

I

V

Y

Y

N

D

G

Q

D

D

I

V

N

K

E

T

G

D

V

A

L

L

Q

Q

G

G

K

K

T

K

V

I

A

A

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

K

E

D

S

N

G

G

T

Y

S

D

V

V

V

I

G

G

L
x
I

R
|
R

P

P

G

G

K

R

S
|
S

F

F

D

D

Q

K

A

A

V

K

N

E

D

D

G

G

F

F

E

D

V

V

L

F

P

P

V

V

R

A

E

E

A

A

A

V

A

K

K

Q

A

A

E

D

V

V

I

I

M

M

V

V

L
|
L

P
|
P

D
|
D

E

E

N

I

Q

Q

P

G

K

D

V

V

Y

Y

K

K

E

N

S

E

I

I

E

E

P

P

E

N

L

L

T

E

A

K

G

H

K

N

A

A

L

L

V

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

H

H

F

F

N

G

Q

V

I

I

Q

Q

P

P

A

A

D

D

V

V

D

D

V

V

F

F

L

L

A

V

A

A

P

P

K

K

G
|
G

P
|
P

G

G

H

H

L

L

V

V

R

R

T

T

Y

F

T

V

E

E

G

G

A

S

G

A

V

V

P

P

G

S

L

L

I

F

A

G

V

I

Y

Q

Q

Q

D

D

A

A

T

S

G

G

Q

Q

A

A

K

R

E

N

L

I

A

A

L

L

A

S

Y

Y

A

A

K

K

Q

G

I

I

G

G

S

A

A

T

R

R

G

A

G

G

V

V

I

I

E

E

T

T

F

F

Q

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

T

V

T

S

A

K

L

L

V

I

K

Q

A

S

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

M

Y

Y

E

E

G

G

L

M

E

E

G

N

M

V

R

R

Y

Y

S

S

I
|
I

S
|
S

D

N

T

T

A
|
A

Q

E

W

F

G

G

D

D

F

Y

V

V

A

S

G

G

P

P

Q

R

V

V

V

I

T

T

E

P

D

D

T

V

K

K

K

E

A

N

M

M

K

K

S

A

I

V

L

L

S

T

D

D

I

I

Q

Q

T

N

G

G

K

N

F

F

A

S

K

N

G

R

W

F

I

I

L

E

E

D

N

N

Q

K

A

N

N

G

R

F

P

K

E

E

F

F

N

Y

A

K

I

L

N

R

E

E

S

E

E

Q

K

H

K

G

H

H

P

Q

I

I

E

E

V

K

V

V

G

G

R

R

E

E

L

L

R

R

E

E

M

M

P

P

F

F

V

I

binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), I46 (≠ L47), R47 (= R48), S51 (= S52), L78 (= L79), L79 (= L80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132), I249 (= I250), S250 (= S251)
binding 3-(methylsulfonyl)-2-oxopropanoic acid: G130 (= G131), P131 (= P132), D189 (= D190), E193 (= E194), E229 (= E230), I249 (= I250), S250 (= S251), A253 (= A254)

6c5nA Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1
65% identity, 95% coverage: 4:327/340 of query aligns to 3:326/326 of 6c5nA

query
sites
6c5nA

I

V

Y

Y

N

D

G

Q

D

D

I

V

N

K

E

T

G

D

V

A

L

L

Q

Q

G

G

K

K

T

K

V

I

A

A

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

K

E

D

S

N

G

G

T

Y

S

D

V

V

V

I

G

G

L
x
I

R
|
R

P

P

G

G

K

R

S
|
S

F

F

D

D

Q

K

A

A

V

K

N

E

D

D

G

G

F

F

E

D

V

V

L

F

P

P

V

V

R

A

E

E

A

A

A

V

A

K

K

Q

A

A

E

D

V

V

I

I

M

M

V

V

L
|
L

P
|
P

D
|
D

E

E

N

I

Q

Q

P

G

K

D

V

V

Y

Y

K

K

E

N

S

E

I

I

E

E

P

P

E

N

L

L

T

E

A

K

G

H

K

N

A

A

L

L

V

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

H

H

F

F

N

G

Q

V

I

I

Q

Q

P

P

A

A

D

D

V

V

D

D

V

V

F

F

L

L

A

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

L

L

V

V

R

R

T

T

Y

F

T

V

E

E

G

G

A

S

G

A

V

V

P

P

G

S

L

L

I

F

A

G

V

I

Y

Q

Q

Q

D

D

A

A

T

S

G

G

Q

Q

A

A

K

R

E

N

L

I

A

A

L

L

A

S

Y

Y

A

A

K

K

Q

G

I

I

G

G

S

A

A

T

R

R

G

A

G

G

V

V

I

I

E

E

T

T

F

F

Q

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

T

V

T

S

A

K

L

L

V

I

K

Q

A

S

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I
|
I

V

V

D

D

L

L

M

M

Y

Y

E

E

G

G

L

M

E

E

G

N

M

V

R

R

Y

Y

S
|
S

I
|
I

S
|
S

D

N

T

T

A
|
A

Q

E

W

F

G

G

D

D

F

Y

V

V

A

S

G

G

P

P

Q

R

V

V

V

I

T

T

E

P

D

D

T

V

K

K

K

E

A

N

M

M

K

K

S

A

I

V

L

L

S

T

D

D

I

I

Q

Q

T

N

G

G

K

N

F

F

A

S

K

N

G

R

W

F

I

I

L

E

E

D

N

N

Q

K

A

N

N

G

R

F

P

K

E

E

F

F

N

Y

A

K

I

L

N

R

E

E

S

E

E

Q

K

H

K

G

H

H

P

Q

I

I

E

E

V

K

V

V

G

G

R

R

E

E

L

L

R

R

E

E

M

M

P

P

F

F

V

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 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), I46 (≠ L47), R47 (= R48), S51 (= S52), L78 (= L79), L79 (= L80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132), S248 (= S249), I249 (= I250), S250 (= S251)

6c55A Crystal structure of staphylococcus aureus ketol-acid reductosimerrase with hydroxyoxamate inhibitor 3
65% identity, 95% coverage: 4:327/340 of query aligns to 3:326/326 of 6c55A

query
sites
6c55A

I

V

Y

Y

N

D

G

Q

D

D

I

V

N

K

E

T

G

D

V

A

L

L

Q

Q

G

G

K

K

T

K

V

I

A

A

I

V

G

G

Y

Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

K

E

D

S

N

G

G

T

Y

S

D

V

V

V

I

G

G

L
x
I

R
|
R

P

P

G

G

K

R

S
|
S

F

F

D

D

Q

K

A

A

V

K

N

E

D

D

G

G

F

F

E

D

V

V

L

F

P

P

V

V

R

A

E

E

A

A

A

V

A

K

K

Q

A

A

E

D

V

V

I

I

M

M

V

V

L

L

L
|
L

P
|
P

D
|
D

E

E

N
x
I

Q

Q

P

G

K

D

V

V

Y

Y

K

K

E

N

S

E

I

I

E

E

P

P

E

N

L

L

T

E

A

K

G

H

K

N

A

A

L

L

V

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

H

H

F

F

N

G

Q

V

I

I

Q

Q

P

P

A

A

D

D

V

V

D

D

V

V

F

F

L

L

A

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

L

L

V

V

R

R

T

T

Y

F

T

V

E

E

G

G

A

S

G

A

V

V

P

P

G

S

L

L

I

F

A

G

V

I

Y

Q

Q

Q

D

D

A

A

T

S

G

G

Q

Q

A

A

K

R

E

N

L

I

A

A

L

L

A

S

Y

Y

A

A

K

K

Q

G

I

I

G

G

S

A

A

T

R

R

G

A

G

G

V

V

I

I

E

E

T

T

F

F

Q

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

T

V

T

S

A

K

L

L

V

I

K

Q

A

S

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

M

Y

Y

E

E

G

G

L

M

E

E

G

N

M

V

R

R

Y

Y

S
|
S

I
|
I

S
|
S

D

N

T

T

A
|
A

Q

E

W

F

G

G

D

D

F

Y

V

V

A

S

G

G

P

P

Q

R

V

V

V

I

T

T

E

P

D

D

T

V

K

K

K

E

A

N

M

M

K

K

S

A

I

V

L

L

S

T

D

D

I

I

Q

Q

T

N

G

G

K

N

F

F

A

S

K

N

G

R

W

F

I

I

L

E

E

D

N

N

Q

K

A

N

N

G

R

F

P

K

E

E

F

F

N

Y

A

K

I

L

N

R

E

E

S

E

E

Q

K

H

K

G

H

H

P

Q

I

I

E

E

V

K

V

V

G

G

R

R

E

E

L

L

R

R

E

E

M

M

P

P

F

F

V

I

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding [cyclohexyl(hydroxy)amino](oxo)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), C198 (= C199)
binding (cyclohexylamino)(oxo)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), C198 (= C199), I249 (= I250), S250 (= S251), A253 (= A254)
binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G25 (= G26), S26 (= S27), Q27 (= Q28), I46 (≠ L47), R47 (= R48), S51 (= S52), L79 (= L80), P80 (= P81), D81 (= D82), I83 (≠ N84), H106 (= H107), S248 (= S249), S250 (= S251)

6aqjA Crystal structures of staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity. (see paper)
65% identity, 95% coverage: 4:327/340 of query aligns to 3:326/326 of 6aqjA

query
sites
6aqjA

I

V

Y

Y

N

D

G

Q

D

D

I

V

N

K

E

T

G

D

V

A

L

L

Q

Q

G

G

K

K

T

K

V

I

A

A

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

K

E

D

S

N

G

G

T

Y

S

D

V

V

V

I

G

G

L
x
I

R
|
R

P

P

G

G

K

R

S
|
S

F

F

D

D

Q

K

A

A

V

K

N

E

D

D

G

G

F

F

E

D

V

V

L

F

P

P

V

V

R

A

E

E

A

A

A

V

A

K

K

Q

A

A

E

D

V

V

I

I

M

M

V

V

L
|
L

P
|
P

D
|
D

E

E

N

I

Q

Q

P

G

K

D

V

V

Y

Y

K

K

E

N

S

E

I

I

E

E

P

P

E

N

L

L

T

E

A

K

G

H

K

N

A

A

L

L

V

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

H

H

F

F

N

G

Q

V

I

I

Q

Q

P

P

A

A

D

D

V

V

D

D

V

V

F

F

L

L

A

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

L

L

V

V

R

R

T

T

Y

F

T

V

E

E

G

G

A

S

G

A

V

V

P

P

G

S

L

L

I

F

A

G

V

I

Y

Q

Q

Q

D

D

A

A

T

S

G

G

Q

Q

A

A

K

R

E

N

L

I

A

A

L

L

A

S

Y

Y

A

A

K

K

Q

G

I

I

G

G

S

A

A

T

R

R

G

A

G

G

V

V

I

I

E

E

T

T

F

F

Q

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

T

V

T

S

A

K

L

L

V

I

K

Q

A

S

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I
|
I

V

V

D

D

L

L

M

M

Y

Y

E

E

G

G

L

M

E

E

G

N

M

V

R

R

Y

Y

S

S

I
|
I

S
|
S

D

N

T

T

A
|
A

Q

E

W

F

G

G

D

D

F

Y

V

V

A

S

G

G

P

P

Q

R

V

V

V

I

T

T

E

P

D

D

T

V

K

K

K

E

A

N

M

M

K

K

S

A

I

V

L

L

S

T

D

D

I

I

Q

Q

T

N

G

G

K

N

F

F

A

S

K

N

G

R

W

F

I

I

L

E

E

D

N

N

Q

K

A

N

N

G

R

F

P

K

E

E

F

F

N

Y

A

K

I

L

N

R

E

E

S

E

E

Q

K

H

K

G

H

H

P

Q

I

I

E

E

V

K

V

V

G

G

R

R

E

E

L

L

R

R

E

E

M

M

P

P

F

F

V

I

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding oxo(propan-2-ylamino)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), E229 (= E230), I233 (= I234), I249 (= I250), S250 (= S251), A253 (= A254)
binding n-hydroxy-n-isopropyloxamic acid: P131 (= P132), D189 (= D190), E193 (= E194), E229 (= E230), I249 (= I250), S250 (= S251), A253 (= A254)
binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), I46 (≠ L47), R47 (= R48), S51 (= S52), L78 (= L79), L79 (= L80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132), I249 (= I250), S250 (= S251)

5w3kA Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, mg2+ and cpd (see paper)
65% identity, 95% coverage: 4:327/340 of query aligns to 3:326/326 of 5w3kA

query
sites
5w3kA

I

V

Y

Y

N

D

G

Q

D

D

I

V

N

K

E

T

G

D

V

A

L

L

Q

Q

G

G

K

K

T

K

V

I

A

A

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

K

E

D

S

N

G

G

T

Y

S

D

V

V

V

I

G

G

L
x
I

R
|
R

P

P

G

G

K

R

S
|
S

F

F

D

D

Q

K

A

A

V

K

N

E

D

D

G

G

F

F

E

D

V

V

L

F

P

P

V

V

R

A

E

E

A

A

A
x
V

A
x
K

K

Q

A
|
A

E

D

V

V

I

I

M

M

V

V

L
|
L

P
|
P

D
|
D

E

E

N

I

Q

Q

P

G

K

D

V

V

Y

Y

K

K

E

N

S

E

I

I

E

E

P

P

E

N

L

L

T

E

A

K

G

H

K
x
N

A

A

L

L

V

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

H

H

F

F

N

G

Q

V

I

I

Q

Q

P

P

A

A

D

D

V

V

D

D

V

V

F

F

L

L

A

V

A

A

P

P

K
|
K

G

G

P
|
P

G
|
G

H

H

L

L

V

V

R

R

T

T

Y

F

T

V

E

E

G

G

A

S

G

A

V

V

P

P

G

S

L

L

I

F

A

G

V

I

Y

Q

Q

Q

D

D

A

A

T

S

G

G

Q

Q

A

A

K

R

E

N

L

I

A

A

L

L

A

S

Y

Y

A

A

K

K

Q

G

I

I

G

G

S

A

A

T

R

R

G

A

G

G

V

V

I

I

E

E

T

T

F

F

Q

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

T

V

T

S

A

K

L

L

V

I

K

Q

A

S

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

M

Y

Y

E

E

G

G

L

M

E

E

G

N

M

V

R

R

Y

Y

S

S

I
|
I

S
|
S

D

N

T

T

A
|
A

Q

E

W

F

G

G

D

D

F

Y

V

V

A

S

G

G

P

P

Q

R

V

V

V

I

T

T

E

P

D

D

T

V

K

K

K

E

A

N

M

M

K

K

S

A

I

V

L

L

S

T

D

D

I

I

Q

Q

T

N

G

G

K

N

F

F

A

S

K

N

G

R

W

F

I

I

L

E

E

D

N

N

Q

K

A

N

N

G

R

F

P

K

E

E

F

F

N

Y

A

K

I

L

N

R

E

E

S

E

E

Q

K

H

K

G

H

H

P

Q

I

I

E

E

V

K

V

V

G

G

R

R

E

E

L

L

R

R

E

E

M

M

P

P

F

F

V

I

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding cyclopropane-1,1-dicarboxylic acid: D189 (= D190), E193 (= E194), E229 (= E230), I249 (= I250), S250 (= S251), A253 (= A254)
binding magnesium ion: V69 (≠ A70), K70 (≠ A71), A72 (= A73), N100 (≠ K101), D189 (= D190), E193 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), I46 (≠ L47), R47 (= R48), S51 (= S52), L78 (= L79), L79 (= L80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132), G132 (= G133), I249 (= I250), S250 (= S251)

Q02138 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 Lactococcus lactis subsp. lactis (strain IL1403) (Streptococcus lactis) (see paper)
62% identity, 96% coverage: 3:329/340 of query aligns to 4:330/340 of Q02138

query
sites
Q02138

N

T

I

M

Y

Y

N

E

G

D

D

D

I

V

N

E

E

V

G

S

V

A

L

L

Q

A

G

G

K

K

T

Q

V

I

A

A

I

V

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

R

E

D

S

S

G

G

T

H

S

N

V

V

V

I

G

G

L
x
V

R
|
R

P

H

G

G

K
|
K

S
|
S

F

F

D

D

Q

K

A

A

V

K

N

E

D

D

G

G

F

F

E

E

V

T

L

F

P

E

V

V

R

G

E

E

A

A

A

V

A

A

K

K

A

A

E

D

V

V

I

I

M

M

V

V

L

L

L

A

P

P

D

D

E

E

N

L

Q

Q

P

Q

K

S

V

I

Y

Y

K

E

E

E

S

D

I

I

E

K

P

P

E

N

L

L

T

K

A

A

G

G

K

S

A

A

L

L

V

G

F

F

A

A

H

H

G

G

F

F

N

N

I

I

H

H

F

F

N

G

Q

Y

I

I

Q

K

P

V

P

P

A

E

D

D

V

V

D

D

V

V

F

F

L

M

A

V

A

A

P

P

K

K

G

A

P

P

G

G

H

H

L

L

V

V

R

R

T

T

Y

Y

T

T

E

E

G

G

A

F

G

G

V

T

P

P

G

A

L

L

I

F

A

V

V

S

Y

H

Q

Q

D

N

A

A

T

S

G

G

Q

H

A

A

K

R

E

E

L

I

A

A

L

M

A

D

Y

W

A

A

K

K

Q

G

I

I

G

G

S

C

A

A

R

R

G

V

G

G

V

I

I

I

E

E

T

T

F

F

Q

K

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

T

L

T

T

A

A

L

L

V

V

K

E

A

A

G

G

F

F

E

E

T

T

L

L

V

T

E

E

A

A

G

G

Y

Y

Q

A

P

G

E

E

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

M

Y

Y

E

E

G

G

L

F

E

T

G

K

M

M

R

R

Y

Q

S

S

I

I

S

S

D

N

T

T

A

A

Q

E

W

F

G

G

D

D

F

Y

V

V

A

T

G

G

P

P

Q

R

V

I

T

T

E

D

D

A

T

V

K

K

A

N

M

M

K

K

S

L

I

V

L

L

S

A

D

D

I

I

Q

Q

T

S

G

G

K

K

F

F

A

A

K

Q

G

D

W

F

I

V

L

D

E

D

N

F

Q

K

A

A

N

G

R

R

P

P

E

K

F

L

N

T

A

A

I

Y

N

R

E

E

S

A

E

A

K

K

K

N

H

L

P

E

I

I

E

E

V

K

V

I

G

G

R

A

E

E

L

L

R

R

E

K

M

A

M

M

P

P

F

F

V

T

K

Q

A

S

V48 (≠ L47) mutation to L: Inversion of cofactor specificity from NADPH to NADH. Strong decrease of the affinity for NADPH and 2.5-fold increase of the affinity for NADH. 8-fold decrease of the catalytic efficiency for NADPH and 4-fold increase of the catalytic efficiency for NADH; when associated with P-49, L-52 and D-53.
R49 (= R48) mutation to P: Inversion of cofactor specificity from NADPH to NADH. Strong decrease of the affinity for NADPH and 2.5-fold increase of the affinity for NADH. 8-fold decrease of the catalytic efficiency for NADPH and 4-fold increase of the catalytic efficiency for NADH; when associated with L-48, L-52 and D-53.
K52 (= K51) mutation to L: Inversion of cofactor specificity from NADPH to NADH. Strong decrease of the affinity for NADPH and 2.5-fold increase of the affinity for NADH. 8-fold decrease of the catalytic efficiency for NADPH and 4-fold increase of the catalytic efficiency for NADH; when associated with L-48, P-49 and D-53.
S53 (= S52) mutation to D: Inversion of cofactor specificity from NADPH to NADH. Strong decrease of the affinity for NADPH and 2.5-fold increase of the affinity for NADH. 8-fold decrease of the catalytic efficiency for NADPH and 4-fold increase of the catalytic efficiency for NADH; when associated with L-48, P-49 and L-52.

7ke2A Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex with mg2+ and nsc116565 (see paper)
63% identity, 94% coverage: 4:324/340 of query aligns to 3:313/313 of 7ke2A

query
sites
7ke2A

I

V

Y

Y

N

D

G

Q

D

D

I

V

N

K

E

T

G

D

V

A

L

L

Q

Q

G

G

K

K

T

K

V

I

A

A

I

V

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

K

E

D

S

N

G

G

T

Y

S

D

V

V

V

I

G

G

L

I

R

R

P

P

G

G

K

R

S

S

F

F

D

D

Q

K

A

A

V

K

N

E

D

D

G

G

F

F

E

D

V

V

L

F

P

P

V

V

R

A

E

E

A

A

A

V

A

K

K

Q

A

A

E

D

V

V

I

I

M

M

V

V

L

L

P

P

D

D

E

E

N

I

Q

Q

P

G

K

D

V

V

Y

Y

K

K

E

N

S

E

I

I

E

E

P

P

E

N

L

L

T

E

A

K

G

H

K

N

A

A

L

L

V

A

F

F

A

A

H

H

G

G

F

F

N

N

I

I

H

H

F

F

N

G

Q

V

I

I

Q

Q

P

P

A

A

D

D

V

V

D

D

V

V

F

F

L

L

A

V

A

A

P

P

K

K

G

G

P

P

G

G

H

-

L

-

V

-

R

-

T

-

Y

-

T

-

E

-

G

-

A

S

G

A

V

V

P

P

G

S

L

L

I

F

A

G

V

I

Y

Q

Q

Q

D

D

A

A

T

S

G

G

Q

Q

A

A

K

R

E

N

L

I

A

A

L

L

A

S

Y

Y

A

A

K

K

Q

G

I

I

G

G

S

A

A

T

R

R

G

A

G

G

V

V

I

I

E

E

T

T

F

F

Q

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

T

V

T

S

A

K

L

L

V

I

K

Q

A

S

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

Q

P

P

E

E

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E

E

L

M

K

K

L
|
L

I

I

V

V

D

D

L

L

M

M

Y

Y

E

E

G

G

L

M

E

E

G

N

M

V

R

R

Y

Y

S

S

I
|
I

S
|
S

D

N

T

T

A

A

Q

E

W

F

G

G

D

D

F

Y

V

V

A

S

G

G

P

P

Q

R

V

V

V

I

T

T

E

P

D

D

T

V

K

K

K

E

A

N

M

M

K

K

S

A

I

V

L

L

S

T

D

D

I

I

Q

Q

T

N

G

G

K

N

F

F

A

S

K

N

G

R

W

F

I

I

L

E

E

D

N

N

Q

K

A

N

N

G

R

F

P

K

E

E

F

F

N

Y

A

K

I

L

N

R

E

E

S

E

E

Q

K

H

K

G

H

H

P

Q

I

I

E

E

V

K

V

V

G

G

R

R

E

E

L

L

R

R

E

E

M

M

binding magnesium ion: D179 (= D190), E183 (= E194)
binding 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione: D179 (= D190), E183 (= E194), L222 (= L233), I239 (= I250), S240 (= S251)

C1DFH7 Ketol-acid reductoisomerase (NADP(+)); KARI; Acetohydroxy-acid isomeroreductase; AHIR; Alpha-keto-beta-hydroxylacyl reductoisomerase; Ketol-acid reductoisomerase type 1; Ketol-acid reductoisomerase type I; EC 1.1.1.86 from Azotobacter vinelandii (strain DJ / ATCC BAA-1303) (see paper)
57% identity, 99% coverage: 4:340/340 of query aligns to 3:338/338 of C1DFH7

query
sites
C1DFH7

I

V

Y

Y

N

D

G

K

D

D

I

C

N

D

E

L

G

S

V

I

L

I

Q

Q

G

S

K

K

T

K

V

V

A

A

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

Q

C

N

N

L

L

R

K

E

D

S

S

G

G

T

V

S

D

V

V

V

Y

V

V

G

G

L

L

R

R

P

A

G

G

K

S

-

A

S

S

F

V

D

A

Q

K

A

A

V

E

N

A

D

H

G

G

F

L

E

T

V

V

L

K

P

S

V

V

R

K

E

D

A

A

A

V

A

A

K

A

A

A

E

D

V

V

I

V

M

M

V

I

L

L

L

T

P

P

D

D

E

E

N

F

Q

Q

P

G

K

R

V

L

Y

Y

K

K

E

D

S

E

I

I

E

E

P

P

E

N

L

L

T

K

A

K

G

G

K

A

A

T

L

L

V

A

F

F

A

A

H

H

G

G

F

F

N

S

I

I

H

H

F

Y

N

N

Q

Q

I

V

Q

V

P

P

P

R

A

A

D

D

V

L

D

D

V

V

F

I

L

M

A

I

A

A

P

P

K

K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

R

S

T

E

Y

F

T

V

E

R

G

G

A

G

G

G

V

I

P

P

G

D

L

L

I

I

A

A

V

V

Y

Y

Q

Q

D

D

A

A

T

S

G

G

Q

N

A

A

K

K

E

N

L

L

A

A

L

L

A

S

Y

Y

A

A

K

C

Q

G

I

V

G

G

S

G

A

G

R

R

G

T

G

G

V

I

I

I

E

E

T

T

F

F

Q

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

T

C

T

V

A

E

L

L

V

V

K

K

A

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

A

P

P

E

E

V

M

A

A

Y

Y

F

F

E
|
E

C

C

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

M

M

Y

F

E

E

G

G

L

I

E

A

G

N

M

M

R

N

Y

Y

S

S

I

I

S

S

D

N

T

N

A

A

Q

E

W

Y

G

G

D

E

F

Y

V

V

A

T

G

G

P

P

Q

E

V

V

V

I

T

N

E

E

D

Q

T

S

K

R

K

Q

A

A

M

M

K

R

S

N

I

A

L

L

S

K

D

R

I

I

Q

Q

T

D

G

G

K

E

F

Y

A

A

K

K

G

M

W

F

I

I

L

T

E

E

N

G

Q

A

A

A

N

N

R

Y

P

P

E

S

F

M

N

T

A

A

I

Y

N

R

E

R

S

N

E

N

K

A

H

H

P

Q

I

I

E

E

V

V

G

G

R

E

E

K

L

L

R

R

E

T

M

M

P

P

F

W

V

I

K

A

A

A

K

N

S

K

K

-

G

-

V

I

V

V

G

D

S

K

A

T

K

K

N

N

D190 (= D190) binding
E226 (= E226) binding
E230 (= E230) binding

8upqB Campylobacter jejuni ketol-acid reductoisomerase in complex with 2,3- dihydroxy-3-isovalerate.
57% identity, 99% coverage: 4:340/340 of query aligns to 4:339/342 of 8upqB

query
sites
8upqB

I

V

Y

Y

N

D

G

K

D

D

I

C

N

D

E

L

G

N

V

L

L

I

Q

K

G

S

K

K

T

K

V

V

A

A

I

I

G

G

Y

F

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

Q

M

N

N

L

L

R

R

E

D

S

N

G

G

T

V

S

N

V

V

V

T

V

I

G

G

L

L

R

R

P

E

G

G

K

S

-

V

S

S

F

A

D

V

Q

K

A

A

V

K

N

N

D

A

G

G

F

F

E

E

V

V

L

M

P

S

V

V

R

S

E

E

A

A

A

S

A

K

K

I

A

A

E

D

V

V

I

I

M

M

V

I

L

L

L

A

P

P

D

D

E

E

N

I

Q

Q

P

A

K

D

V

I

Y

F

K

N

E

V

S

E

I

I

E

K

P

P

E

N

L

L

T

S

A

E

G

G

K

K

A

A

L

I

V

A

F

F

A

A

H

H

G

G

F

F

N

N

I

I

H

H

F

Y

N

G

Q

Q

I

I

Q

V

P

V

P

P

A

K

D

G

V

V

D

D

V

V

F

I

L

M

A

I

A

A

P

P

K

K

G
x
A

P
|
P

G

G

H

H

L

T

V

V

R

R

R

N

T

E

Y

F

T

T

E

L

G

G

A

G

G

G

V

T

P

P

G

C

L

L

I

I

A

A

V

I

Y

H

Q

Q

D

D

A

E

T

S

G

K

Q

N

A

A

K

K

E

N

L

L

A

A

L

L

A

S

Y

Y

A

A

K

S

Q

A

I

I

G

G

S

G

A

G

R

R

G

T

G

G

V

I

I

I

E

E

T

T

F

F

Q

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

T

L

T

S

A

A

L

L

V

I

K

Q

A

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

E

P

P

E

E

V

M

A

A

Y

Y

F

F

E

E

C

C

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

I

Y

Y

E

Q

G

G

L

I

E

A

G

D

M

M

R

R

Y

Y

S

S

I

I

S
|
S

D

N

T

T

A
|
A

Q

E

W

Y

G

G

D

D

F

Y

V

I

A

T

G

G

P

P

Q

K

V

I

T

T

E

E

D

E

T

T

K

K

A

A

M

M

K

K

S

G

I

V

L

L

S

K

D

D

I

I

Q

Q

T

N

G

G

K

V

F

F

A

A

K

K

G

D

W

F

I

I

L

L

E

E

N

R

Q

R

A

A

N

G

R

F

P

A

E

R

F

M

N

H

A

A

I

E

N

R

E

K

S

N

E

M

K

N

K

D

H

S

P

L

I

I

E

E

V

K

V

T

G

G

R

R

E

N

L

L

R

R

E

A

M

M

P

P

F

W

V

I

K

S

A

A

K

K

S

K

K

-

G

-

V

L

V

V

G

D

S

A

A

D

K

K

N

N

binding magnesium ion: D191 (= D190), E195 (= E194)
binding (2R)-2,3-dihydroxy-3-methylbutanoic acid: A132 (≠ G131), P133 (= P132), D191 (= D190), E195 (= E194), E231 (= E230), S252 (= S251), A255 (= A254)

4xiyA Crystal structure of ketol-acid reductoisomerase from azotobacter (see paper)
58% identity, 95% coverage: 4:327/340 of query aligns to 3:327/328 of 4xiyA

query
sites
4xiyA

I

V

Y

Y

N

D

G

K

D

D

I

C

N

D

E

L

G

S

V

I

L

I

Q

Q

G

S

K

K

T

K

V

V

A

A

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

Q

C

N

N

L

L

R

K

E

D

S

S

G

G

T

V

S

D

V

V

V

Y

V

V

G

G

L

L

R

R

P

A

G

G

K

S

-

A

S

S

F

V

D

A

Q

K

A

A

V

E

N

A

D

H

G

G

F

L

E

T

V

V

L

K

P

S

V

V

R

K

E

D

A

A

A

V

A

A

K

A

A

A

E

D

V

V

I

V

M

M

V

I

L

L

L

T

P

P

D

D

E

E

N

F

Q

Q

P

G

K

R

V

L

Y

Y

K

K

E

D

S

E

I

I

E

E

P

P

E

N

L

L

T

K

A

K

G

G

K

A

A

T

L

L

V

A

F

F

A

A

H

H

G

G

F

F

N

S

I

I

H

H

F

Y

N

N

Q

Q

I

V

Q

V

P

P

P

R

A

A

D

D

V

L

D

D

V

V

F

I

L

M

A

I

A

A

P

P

K
|
K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

R

S

T

E

Y

F

T

V

E

R

G

G

A

G

G

G

V

I

P

P

G

D

L

L

I

I

A

A

V

V

Y

Y

Q

Q

D

D

A

A

T

S

G

G

Q

N

A

A

K

K

E

N

L

L

A

A

L

L

A

S

Y

Y

A

A

K

C

Q

G

I

V

G

G

S

G

A

G

R

R

G

T

G

G

V

I

I

I

E

E

T

T

F

F

Q

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

T

C

T

V

A

E

L

L

V

V

K

K

A

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

A

P

P

E

E

V

M

A

A

Y

Y

F

F

E
|
E

C

C

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

M

M

Y

F

E

E

G

G

L

I

E

A

G

N

M

M

R

N

Y

Y

S

S

I

I

S

S

D

N

T

N

A

A

Q

E

W

Y

G

G

D

E

F

Y

V

V

A

T

G

G

P

P

Q

E

V

V

V

I

T

N

E

E

D

Q

T

S

K

R

K

Q

A

A

M

M

K

R

S

N

I

A

L

L

S

K

D

R

I

I

Q

Q

T

D

G

G

K

E

F

Y

A

A

K

K

G

M

W

F

I

I

L

T

E

E

N

G

Q

A

A

A

N

N

R

Y

P

P

E

S

F

M

N

T

A

A

I

Y

N

R

E

R

S

N

E

N

K

A

H

H

P

Q

I

I

E

E

V

V

G

G

R

E

E

K

L

L

R

R

E

T

M

M

P

P

F

W

V

I

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

8uppA Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and hoe704
58% identity, 95% coverage: 4:327/340 of query aligns to 3:327/327 of 8uppA

query
sites
8uppA

I

V

Y

Y

N

D

G

K

D

D

I

C

N

D

E

L

G

N

V

L

L

I

Q

K

G

S

K

K

T

K

V

V

A

A

I

I

G

G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

M

N

N

L

L

R

R

E

D

S

N

G

G

T

V

S

N

V

V

V

T

V

I

G

G

L

L

R
|
R

P

E

G

G

K
x
S

-

V

S

S

F

A

D

V

Q

K

A

A

V

K

N

N

D

A

G

G

F

F

E

E

V

V

L

M

P

S

V

V

R

S

E

E

A

A

A

S

A

K

K

I

A

A

E

D

V

V

I

I

M

M

V

I

L
|
L

L

A

P
|
P

D
|
D

E

E

N
x
I

Q
|
Q

P

A

K

D

V
x
I

Y

F

K

N

E

V

S

E

I

I

E

K

P

P

E

N

L

L

T

S

A

E

G

G

K

K

A

A

L

I

V

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

H

H

F

Y

N

G

Q

Q

I

I

Q

V

P

V

P

P

A

K

D

G

V

V

D

D

V

V

F

I

L

M

A

I

A

A

P

P

K

K

G
x
A

P
|
P

G

G

H

H

L

T

V

V

R

R

R

N

T

E

Y

F

T

T

E

L

G

G

A

G

G

G

V

T

P

P

G

C

L

L

I

I

A

A

V

I

Y

H

Q

Q

D

D

A

E

T

S

G

K

Q

N

A

A

K

K

E

N

L

L

A

A

L

L

A

S

Y

Y

A

A

K

S

Q

A

I

I

G

G

S

G

A

G

R

R

G

T

G

G

V

I

I

I

E

E

T

T

F

F

Q

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

T

L

T

S

A

A

L

L

V

I

K

Q

A

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

E

P

P

E

E

V

M

A

A

Y

Y

F

F

E

E

C

C

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

I

Y

Y

E

Q

G

G

L

I

E

A

G

D

M

M

R

R

Y

Y

S

S

I
|
I

S
|
S

D

N

T

T

A
|
A

Q

E

W

Y

G

G

D

D

F

Y

V

I

A

T

G

G

P

P

Q

K

V

I

T

T

E

E

D

E

T

T

K

K

A

A

M

M

K

K

S

G

I

V

L

L

S

K

D

D

I

I

Q

Q

T

N

G

G

K

V

F

F

A

A

K

K

G

D

W

F

I

I

L

L

E

E

N

R

Q

R

A

A

N

G

R

F

P

A

E

R

F

M

N

H

A

A

I

E

N

R

E

K

S

N

E

M

K

N

K

D

H

S

P

L

I

I

E

E

V

K

V

T

G

G

R

R

E

N

L

L

R

R

E

A

M

M

P

P

F

W

V

I

binding magnesium ion: D190 (= D190), E194 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: F24 (≠ Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), R47 (= R48), S50 (≠ K51), L79 (= L79), P81 (= P81), D82 (= D82), I84 (≠ N84), Q85 (= Q85), I88 (≠ V88), H107 (= H107), P132 (= P132), I250 (= I250), S251 (= S251)
binding (2R)-(dimethylphosphoryl)(hydroxy)acetic acid: A131 (≠ G131), P132 (= P132), D190 (= D190), E194 (= E194), E230 (= E230), I250 (= I250), S251 (= S251), A254 (= A254)

8sxdA Campylobacter jejuni keto-acid reductoisomerase in complex with intermediate and NADP+
58% identity, 95% coverage: 4:327/340 of query aligns to 3:327/327 of 8sxdA

query
sites
8sxdA

I

V

Y

Y

N

D

G

K

D

D

I

C

N

D

E

L

G

N

V

L

L

I

Q

K

G

S

K

K

T

K

V

V

A

A

I

I

G
|
G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

M

N

N

L

L

R

R

E

D

S

N

G

G

T

V

S

N

V

V

V

T

V

I

G

G

L

L

R

R

P

E

G

G

K
x
S

-

V

S
|
S

F

A

D

V

Q

K

A

A

V

K

N

N

D

A

G

G

F

F

E

E

V

V

L

M

P

S

V

V

R

S

E

E

A

A

A

S

A

K

K

I

A

A

E

D

V

V

I

I

M

M

V

I

L
|
L

L
x
A

P
|
P

D
|
D

E

E

N

I

Q

Q

P

A

K

D

V

I

Y

F

K

N

E

V

S

E

I

I

E

K

P

P

E

N

L

L

T

S

A

E

G

G

K

K

A

A

L

I

V

A

F

F

A

A

H

H

G

G

F

F

N

N

I

I

H

H

F

Y

N

G

Q

Q

I

I

Q

V

P

V

P

P

A

K

D

G

V

V

D

D

V

V

F

I

L

M

A

I

A

A

P
|
P

K

K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

R

N

T

E

Y

F

T

T

E

L

G

G

A

G

G

G

V

T

P

P

G

C

L

L

I

I

A

A

V

I

Y

H

Q

Q

D

D

A

E

T

S

G

K

Q

N

A

A

K

K

E

N

L

L

A

A

L

L

A

S

Y

Y

A

A

K

S

Q

A

I

I

G

G

S

G

A

G

R

R

G

T

G

G

V

I

I

I

E

E

T

T

F

F

Q

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

T

L

T

S

A

A

L

L

V

I

K

Q

A

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

E

P

P

E

E

V

M

A

A

Y

Y

F

F

E

E

C

C

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

I

Y

Y

E

Q

G

G

L

I

E

A

G

D

M

M

R

R

Y

Y

S

S

I

I

S

S

D

N

T

T

A

A

Q

E

W

Y

G

G

D

D

F

Y

V

I

A

T

G

G

P

P

Q

K

V

I

T

T

E

E

D

E

T

T

K

K

A

A

M

M

K

K

S

G

I

V

L

L

S

K

D

D

I

I

Q

Q

T

N

G

G

K

V

F

F

A

A

K

K

G

D

W

F

I

I

L

L

E

E

N

R

Q

R

A

A

N

G

R

F

P

A

E

R

F

M

N

H

A

A

I

E

N

R

E

K

S

N

E

M

K

N

K

D

H

S

P

L

I

I

E

E

V

K

V

T

G

G

R

R

E

N

L

L

R

R

E

A

M

M

P

P

F

W

V

I

binding magnesium ion: D190 (= D190), E194 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G23 (= G24), F24 (≠ Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), S50 (≠ K51), S52 (= S52), L79 (= L79), A80 (≠ L80), P81 (= P81), D82 (= D82), P129 (= P129)
binding 3-hydroxy-3-methyl-2-oxobutanoic acid: D190 (= D190), E194 (= E194)

7rduA Crystal structure of campylobacter jejuni keto said reductoisomerase in complex with magnesium and oxidixized and reduced NADPH
58% identity, 95% coverage: 4:327/340 of query aligns to 4:328/329 of 7rduA

query
sites
7rduA

I

V

Y

Y

N

D

G

K

D

D

I

C

N

D

E

L

G

N

V

L

L

I

Q

K

G

S

K

K

T

K

V

V

A

A

I

I

G
|
G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

M

N

N

L

L

R

R

E

D

S

N

G

G

T

V

S

N

V

V

V

T

V

I

G

G

L

L

R
|
R

P

E

G

G

K
x
S

-

V

S
|
S

F

A

D

V

Q

K

A

A

V

K

N

N

D

A

G

G

F

F

E

E

V

V

L

M

P

S

V

V

R

S

E

E

A

A

A

S

A

K

K

I

A

A

E

D

V

V

I

I

M

M

V

I

L
|
L

L
x
A

P
|
P

D
|
D

E

E

N

I

Q

Q

P

A

K

D

V
x
I

Y

F

K

N

E

V

S

E

I

I

E

K

P

P

E

N

L

L

T

S

A

E

G

G

K

K

A

A

L

I

V

A

F

F

A
|
A

H
|
H

G

G

F

F

N

N

I

I

H

H

F

Y

N

G

Q

Q

I

I

Q

V

P

V

P

P

A

K

D

G

V

V

D

D

V

V

F

I

L

M

A

I

A

A

P
|
P

K
|
K

G
x
A

P

P

G

G

H

H

L

T

V

V

R

R

R

N

T

E

Y

F

T

T

E

L

G

G

A

G

G

G

V

T

P

P

G

C

L

L

I

I

A

A

V

I

Y

H

Q

Q

D

D

A

E

T

S

G

K

Q

N

A

A

K

K

E

N

L

L

A

A

L

L

A

S

Y

Y

A

A

K

S

Q

A

I

I

G

G

S

G

A

G

R

R

G

T

G

G

V

I

I

I

E

E

T

T

F

F

Q

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

T

L

T

S

A

A

L

L

V

I

K

Q

A

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

E

P

P

E

E

V

M

A

A

Y

Y

F

F

E

E

C

C

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

I

Y

Y

E

Q

G

G

L

I

E

A

G

D

M

M

R

R

Y

Y

S

S

I

I

S

S

D

N

T

T

A

A

Q

E

W

Y

G

G

D

D

F

Y

V

I

A

T

G

G

P

P

Q

K

V

I

T

T

E

E

D

E

T

T

K

K

A

A

M

M

K

K

S

G

I

V

L

L

S

K

D

D

I

I

Q

Q

T

N

G

G

K

V

F

F

A

A

K

K

G

D

W

F

I

I

L

L

E

E

N

R

Q

R

A

A

N

G

R

F

P

A

E

R

F

M

N

H

A

A

I

E

N

R

E

K

S

N

E

M

K

N

K

D

H

S

P

L

I

I

E

E

V

K

V

T

G

G

R

R

E

N

L

L

R

R

E

A

M

M

P

P

F

W

V

I

binding nadp nicotinamide-adenine-dinucleotide phosphate: G24 (= G24), G26 (= G26), S27 (= S27), Q28 (= Q28), R48 (= R48), S51 (≠ K51), S53 (= S52), A81 (≠ L80), P82 (= P81), D83 (= D82), I89 (≠ V88), A107 (= A106), H108 (= H107), P130 (= P129), K131 (= K130), A132 (≠ G131)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G24 (= G24), F25 (≠ Y25), G26 (= G26), S27 (= S27), Q28 (= Q28), S51 (≠ K51), S53 (= S52), L80 (= L79), P82 (= P81), D83 (= D82), I89 (≠ V88), A107 (= A106), H108 (= H107)

6l2iA Ilvc, a ketol-acid reductoisomerase, from streptococcus pneumoniae_wt
62% identity, 94% coverage: 6:325/340 of query aligns to 5:324/324 of 6l2iA

query
sites
6l2iA

Y

Y

N

E

G

K

D

D

I

V

N

K

E

V

G

A

V

A

L

L

Q

D

G

G

K

K

T

K

V

I

A

A

I

V

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

R

E

D

S

S

G

G

T

R

S

D

V

V

V

I

G

G

L

V

R

R

P

P

G

G

K

K

S

S

F

F

D

D

Q

K

A

A

V

K

N

E

D

D

G

G

F

F

E

D

V

T

L

Y

P

T

V

V

R

A

E

E

A

A

A

T

A

K

K

L

A

A

E

D

V

V

I

I

M

M

V

I

L

L

L

A

P

P

D

D

E

E

N

I

Q

Q

P

Q

K

E

V

L

Y

Y

K

E

E

A

S

E

I

I

E

A

P

P

E

N

L

L

T

E

A

A

G

G

K

N

A

A

L

V

V

G

F

F

A

A

H

H

G

G

F

F

N

N

I

I

H

H

F

F

N

E

Q

F

I

I

Q

K

P

V

P

P

A

A

D

D

V

V

D

D

V

V

F

F

L

M

A

C

A

A

P

P

K

K

G

G

P

P

G

G

H

H

L

L

V

V

R

R

T

T

Y

Y

T

E

E

E

G

G

A

F

G

G

V

V

P

P

G

A

L

L

I

Y

A

A

V

V

Y

Y

Q

Q

D

D

A

A

T

T

G

G

Q

N

A

A

K

K

E

N

L

I

A

A

L

M

A

D

Y

W

A

C

K

K

Q

G

I

V

G

G

S

A

A

A

R

R

G

V

G

G

V

L

I

L

E

E

T

T

F

Y

Q

K

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

T

L

T

T

A

A

L

L

V

I

K

E

A

A

G

G

F

F

E

E

T

V

L

L

V

T

E

E

A

A

G

G

Y

Y

Q

A

P

P

E

E

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

I

Y

Y

E

E

G

G

L

F

E

K

G

K

M

M

R

R

Y

Q

S
|
S

I

I

S
|
S

D

N

T

T

A

A

Q

E

W

Y

G

G

D

D

F

Y

V

V

A

S

G

G

P

P

Q

R

V

V

V

I

T

T

E

E

D

Q

T

V

K

K

K

E

A

N

M

M

K

K

S

A

I

V

L

L

S

A

D

D

I

I

Q

Q

T

N

G

G

K

K

F

F

A

A

K

N

G

D

W

F

I

V

L

N

E

D

N

Y

Q

K

A

A

N

G

R

R

P

P

E

K

F

L

N

T

A

A

I

Y

N

R

E

E

S

Q

E

A

K

A

K

N

H

L

P

E

I

I

E

E

V

K

V

V

G

G

R

A

E

E

L

L

R

R

E

K

M

A

M

M

P

P

binding nadp nicotinamide-adenine-dinucleotide phosphate: S248 (= S249), S250 (= S251)

8swmA Crystal structure of campylobacter jejuni ketol-acid reductoisomerase in complex with 2-acetolactate
58% identity, 95% coverage: 5:326/340 of query aligns to 1:323/323 of 8swmA

query
sites
8swmA

Y

Y

N

D

G

K

D

D

I

C

N

D

E

L

G

N

V

L

L

I

Q

K

G

S

K

K

T

K

V

V

A

A

I

I

G

G

Y

F

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

Q

M

N

N

L

L

R

R

E

D

S

N

G

G

T

V

S

N

V

V

V

T

V

I

G

G

L

L

R

R

P

E

G

G

K

S

-

V

S

S

F

A

D

V

Q

K

A

A

V

K

N

N

D

A

G

G

F

F

E

E

V

V

L

M

P

S

V

V

R

S

E

E

A

A

A

S

A

K

K

I

A

A

E

D

V

V

I

I

M

M

V

I

L

L

L

A

P

P

D

D

E

E

N

I

Q

Q

P

A

K

D

V

I

Y

F

K

N

E

V

S

E

I

I

E

K

P

P

E

N

L

L

T

S

A

E

G

G

K

K

A

A

L

I

V

A

F

F

A

A

H

H

G

G

F

F

N

N

I

I

H

H

F

Y

N

G

Q

Q

I

I

Q

V

P

V

P

P

A

K

D

G

V

V

D

D

V

V

F

I

L

M

A

I

A

A

P

P

K

K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

R

N

T

E

Y

F

T

T

E

L

G

G

A

G

G

G

V

T

P

P

G

C

L

L

I

I

A

A

V

I

Y

H

Q

Q

D

D

A

E

T

S

G

K

Q

N

A

A

K

K

E

N

L

L

A

A

L

L

A

S

Y

Y

A

A

K

S

Q

A

I

I

G

G

S

G

A

G

R

R

G

T

G

G

V

I

I

I

E

E

T

T

F

F

Q

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

T

L

T

S

A

A

L

L

V

I

K

Q

A

A

G

G

F

F

E

E

T

T

L

L

V

V

E

E

A

A

G

G

Y

Y

Q

E

P

P

E

E

V

M

A

A

Y

Y

F

F

E

E

C

C

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

I

Y

Y

E

Q

G

G

L

I

E

A

G

D

M

M

R

R

Y

Y

S

S

I

I

S

S

D

N

T

T

A

A

Q

E

W

Y

G

G

D

D

F

Y

V

I

A

T

G

G

P

P

Q

K

V

I

T

T

E

E

D

E

T

T

K

K

A

A

M

M

K

K

S

G

I

V

L

L

S

K

D

D

I

I

Q

Q

T

N

G

G

K

V

F

F

A

A

K

K

G

D

W

F

I

I

L

L

E

E

N

R

Q

R

A

A

N

G

R

F

P

A

E

R

F

M

N

H

A

A

I

E

N

R

E

K

S

N

E

M

K

N

K

D

H

S

P

L

I

I

E

E

V

K

V

T

G

G

R

R

E

N

L

L

R

R

E

A

M

M

P

P

F

W

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

6l2iB Ilvc, a ketol-acid reductoisomerase, from streptococcus pneumoniae_wt
61% identity, 94% coverage: 6:324/340 of query aligns to 5:323/323 of 6l2iB

query
sites
6l2iB

Y

Y

N

E

G

K

D

D

I

V

N

K

E

V

G

A

V

A

L

L

Q

D

G

G

K

K

T

K

V

I

A

A

I

V

I

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

Q

Q

N

N

L

L

R

R

E

D

S

S

G

G

T

R

S

D

V

V

V

I

G

G

L
x
V

R
|
R

P

P

G

G

K

K

S
|
S

F

F

D

D

Q

K

A

A

V

K

N

E

D

D

G

G

F

F

E

D

V

T

L

Y

P

T

V

V

R

A

E

E

A

A

A

T

A

K

K

L

A

A

E

D

V

V

I

I

M

M

V

I

L

L

L

A

P
|
P

D
|
D

E

E

N
x
I

Q

Q

P

Q

K

E

V
x
L

Y

Y

K

E

E

A

S

E

I

I

E

A

P

P

E

N

L

L

T

E

A

A

G

G

K

N

A

A

L

V

V

G

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

H

H

F

F

N

E

Q

F

I

I

Q

K

P

V

P

P

A

A

D

D

V

V

D

D

V

V

F

F

L

M

A

C

A

A

P

P

K

K

G

G

P
|
P

G

G

H

H

L

L

V

V

R

R

T

T

Y

Y

T

E

E

E

G

G

A

F

G

G

V

V

P

P

G

A

L

L

I

Y

A

A

V

V

Y

Y

Q

Q

D

D

A

A

T

T

G

G

Q

N

A

A

K

K

E

N

L

I

A

A

L

M

A

D

Y

W

A

C

K

K

Q

G

I

V

G

G

S

A

A

A

R

R

G

V

G

G

V

L

I

L

E

E

T

T

F

Y

Q

K

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

T

L

T

T

A

A

L

L

V

I

K

E

A

A

G

G

F

F

E

E

T

V

L

L

V

T

E

E

A

A

G

G

Y

Y

Q

A

P

P

E

E

V

L

A

A

Y

Y

F

F

E

E

C

V

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

M

I

Y

Y

E

E

G

G

L

F

E

K

G

K

M

M

R

R

Y

Q

S

S

I

I

S

S

D

N

T

T

A

A

Q

E

W

Y

G

G

D

D

F

Y

V

V

A

S

G

G

P

P

Q

R

V

V

V

I

T

T

E

E

D

Q

T

V

K

K

K

E

A

N

M

M

K

K

S

A

I

V

L

L

S

A

D

D

I

I

Q

Q

T

N

G

G

K

K

F

F

A

A

K

N

G

D

W

F

I

V

L

N

E

D

N

Y

Q

K

A

A

N

G

R

R

P

P

E

K

F

L

N

T

A

A

I

Y

N

R

E

E

S

Q

E

A

K

A

K

N

H

L

P

E

I

I

E

E

V

K

V

V

G

G

R

A

E

E

L

L

R

R

E

K

M

A

M

M

binding magnesium ion: D189 (= D190), D189 (= D190), E193 (= E194), E193 (= E194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), V46 (≠ L47), R47 (= R48), S51 (= S52), P80 (= P81), D81 (= D82), I83 (≠ N84), L87 (≠ V88), H106 (= H107), P131 (= P132)

Query Sequence

>WP_075385748.1 NCBI__GCF_002019605.1:WP_075385748.1
MANIYYNGDINEGVLQGKTVAIIGYGSQGHAHAQNLRESGTSVVVGLRPGKSFDQAVNDG
FEVLPVREAAAKAEVIMVLLPDENQPKVYKESIEPELTAGKALVFAHGFNIHFNQIQPPA
DVDVFLAAPKGPGHLVRRTYTEGAGVPGLIAVYQDATGQAKELALAYAKQIGSARGGVIE
TTFQEETETDLFGEQAVLCGGTTALVKAGFETLVEAGYQPEVAYFECLHELKLIVDLMYE
GGLEGMRYSISDTAQWGDFVAGPQVVTEDTKKAMKSILSDIQTGKFAKGWILENQANRPE
FNAINESEKKHPIEVVGRELREMMPFVKAKSKGVVGSAKN

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