SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013009760.1 NCBI__GCF_000025725.1:WP_013009760.1 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)
59% identity, 100% coverage: 1:338/338 of query aligns to 1:338/338 of C1DFH7

query
sites
C1DFH7

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D190 (= D190) binding Mg(2+)
E226 (= E226) binding Mg(2+)
E230 (= E230) binding Mg(2+)

8upqB Campylobacter jejuni ketol-acid reductoisomerase in complex with 2,3- dihydroxy-3-isovalerate.
60% identity, 100% coverage: 1:338/338 of query aligns to 2:339/342 of 8upqB

query
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8upqB

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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)

7rduA Crystal structure of campylobacter jejuni keto said reductoisomerase in complex with magnesium and oxidixized and reduced NADPH
61% identity, 97% coverage: 1:327/338 of query aligns to 2:328/329 of 7rduA

query
sites
7rduA

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G24 (= G23), G26 (= G25), S27 (= S26), Q28 (= Q27), R48 (= R47), S51 (= S50), S53 (= S52), A81 (= A80), P82 (= P81), D83 (= D82), I89 (= I88), A107 (= A106), H108 (= H107), P130 (= P129), K131 (= K130), A132 (≠ G131)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G24 (= G23), F25 (≠ Y24), G26 (= G25), S27 (= S26), Q28 (= Q27), S51 (= S50), S53 (= S52), L80 (= L79), P82 (= P81), D83 (= D82), I89 (= I88), A107 (= A106), H108 (= H107)

8uppA Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and hoe704
61% identity, 97% coverage: 1:327/338 of query aligns to 1:327/327 of 8uppA

query
sites
8uppA

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E
|
E

V

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

Q

G

G

I

I

T

A

N

D

M

M

R

R

Y

Y

S

S

I
|
I

S
|
S

N

N

T

T

A
|
A

Q

E

Y

Y

G

G

D

D

L

Y

T

I

R

T

G

G

P

P

R

K

I

I

T

T

P

E

E

E

V

T

K

K

E

K

N

A

M

M

K

K

Q

G

A

V

L

L

Y

K

E

D

I

I

Q

Q

S

N

G

G

Q

V

F

F

A

A

N

K

E

D

W

F

M

I

L

L

E

E

N

R

K

R

A

A

N

G

C

F

P

A

N

R

F

M

H

H

A

A

L

E

T

R

R

K

M

N

G

M

A

N

E

D

H

S

P

L

I

I

E

E

K

K

V

T

G

G

E

R

K

N

L

L

R

R

G

A

L

M

M

M

S

P

W

W

L

I

binding magnesium ion: D190 (= D190), E194 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: F24 (≠ Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), R47 (= R47), S50 (= S50), L79 (= L79), P81 (= P81), D82 (= D82), I84 (≠ C84), Q85 (= Q85), I88 (= I88), 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+
61% identity, 97% coverage: 1:327/338 of query aligns to 1:327/327 of 8sxdA

query
sites
8sxdA

M

I

K

T

I

V

Y

Y

E

D

K

K

D

D

T

C

N

D

L

L

E

N

L

L

I

I

K

K

S

S

K

K

V

V

A

A

V

I

I

I

G
|
G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

Y

H

G

A

H

H

T

A

N

M

N

N

M

L

K

R

D

D

S

N

G

G

V

V

D

N

V

V

C

T

V

I

A

G

L

L

R

R

E

E

G

G

S
|
S

S

V

S
|
S

W

A

K

V

K

K

A

A

E

K

G

N

A

A

G

G

L

F

K

E

V

V

M

M

E

S

V

V

K

S

E

E

A

A

C

S

K

K

W

I

A

A

D

D

F

V

I

I

M

M

V

I

L
|
L

A
|
A

P
|
P

D
|
D

E

E

C

I

Q

Q

G

A

D

D

I

I

Y

F

K

N

E

V

A

E

I

I

E

K

P

P

G

N

L

L

E

S

E

E

G

G

N

K

Y

A

L

I

A

A

F

F

A

A

H

H

G

G

F

F

N

N

I

I

L

H

F

Y

N

G

Q

Q

I

I

V

V

P

V

P

P

T

K

D

G

V

V

N

D

V

V

V

I

M

M

I

I

A

A

P
|
P

K

K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

A

N

E

E

Y

F

Q

T

K

L

G

G

A

G

G

G

V

T

P

P

C

C

L

L

I

I

A

A

I

I

E

H

Q

Q

D

D

Y

E

T

S

G

K

D

N

S

A

R

K

E

N

M

L

A

A

L

L

S

S

Y

Y

A

A

N

S

A

A

I

I

G

G

A

G

R

R

A

T

A

G

I

I

L

I

E

E

T

T

F

F

K

K

E

A

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

A

V

V

L

L

C

C

G

G

L

L

A

S

Q

A

L

L

I

I

Q

Q

Y

A

G

G

F

F

E

E

T

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

E

P

P

E

E

M

M

A

A

Y

Y

Y

F

E

E

C

C

L

L

H

H

E

E

V

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

Q

G

G

I

I

T

A

N

D

M

M

R

R

Y

Y

S

S

I

I

S

S

N

N

T

T

A

A

Q

E

Y

Y

G

G

D

D

L

Y

T

I

R

T

G

G

P

P

R

K

I

I

T

T

P

E

E

E

V

T

K

K

E

K

N

A

M

M

K

K

Q

G

A

V

L

L

Y

K

E

D

I

I

Q

Q

S

N

G

G

Q

V

F

F

A

A

N

K

E

D

W

F

M

I

L

L

E

E

N

R

K

R

A

A

N

G

C

F

P

A

N

R

F

M

H

H

A

A

L

E

T

R

R

K

M

N

G

M

A

N

E

D

H

S

P

L

I

I

E

E

K

K

V

T

G

G

E

R

K

N

L

L

R

R

G

A

L

M

M

M

S

P

W

W

L

I

binding magnesium ion: D190 (= D190), E194 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G23 (= G23), F24 (≠ Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), S50 (= S50), S52 (= S52), L79 (= L79), A80 (= A80), 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
61% identity, 96% coverage: 4:326/338 of query aligns to 1:323/323 of 8swmA

query
sites
8swmA

Y

Y

E

D

K

K

D

D

T

C

N

D

L

L

E

N

L

L

I

I

K

K

S

S

K

K

V

V

A

A

V

I

I

I

G

G

Y

F

G

G

S

S

Q

Q

G

G

Y

H

G

A

H

H

T

A

N

M

N

N

M

L

K

R

D

D

S

N

G

G

V

V

D

N

V

V

C

T

V

I

A

G

L

L

R

R

E

E

G

G

S

S

S

V

S

S

W

A

K

V

K

K

A

A

E

K

G

N

A

A

G

G

L

F

K

E

V

V

M

M

E

S

V

V

K

S

E

E

A

A

C

S

K

K

W

I

A

A

D

D

F

V

I

I

M

M

V

I

L

L

A

A

P

P

D

D

E

E

C

I

Q

Q

G

A

D

D

I

I

Y

F

K

N

E

V

A

E

I

I

E

K

P

P

G

N

L

L

E

S

E

E

G

G

N

K

Y

A

L

I

A

A

F

F

A

A

H

H

G

G

F

F

N

N

I

I

L

H

F

Y

N

G

Q

Q

I

I

V

V

P

V

P

P

T

K

D

G

V

V

N

D

V

V

V

I

M

M

I

I

A

A

P

P

K

K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

A

N

E

E

Y

F

Q

T

K

L

G

G

A

G

G

G

V

T

P

P

C

C

L

L

I

I

A

A

I

I

E

H

Q

Q

D

D

Y

E

T

S

G

K

D

N

S

A

R

K

E

N

M

L

A

A

L

L

S

S

Y

Y

A

A

N

S

A

A

I

I

G

G

A

G

R

R

A

T

A

G

I

I

L

I

E

E

T

T

F

F

K

K

E

A

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

A

V

V

L

L

C

C

G

G

L

L

A

S

Q

A

L

L

I

I

Q

Q

Y

A

G

G

F

F

E

E

T

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

E

P

P

E

E

M

M

A

A

Y

Y

Y

F

E

E

C

C

L

L

H

H

E

E

V

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

Q

G

G

I

I

T

A

N

D

M

M

R

R

Y

Y

S

S

I

I

S

S

N

N

T

T

A

A

Q

E

Y

Y

G

G

D

D

L

Y

T

I

R

T

G

G

P

P

R

K

I

I

T

T

P

E

E

E

V

T

K

K

E

K

N

A

M

M

K

K

Q

G

A

V

L

L

Y

K

E

D

I

I

Q

Q

S

N

G

G

Q

V

F

F

A

A

N

K

E

D

W

F

M

I

L

L

E

E

N

R

K

R

A

A

N

G

C

F

P

A

N

R

F

M

H

H

A

A

L

E

T

R

R

K

M

N

G

M

A

N

E

D

H

S

P

L

I

I

E

E

K

K

V

T

G

G

E

R

K

N

L

L

R

R

G

A

L

M

M

M

S

P

W

W

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

4xiyA Crystal structure of ketol-acid reductoisomerase from azotobacter (see paper)
59% identity, 97% coverage: 1:327/338 of query aligns to 1:327/328 of 4xiyA

query
sites
4xiyA

M

M

K

K

I

V

Y

Y

E

D

K

K

D

D

T

C

N

D

L

L

E

S

L

I

I

I

K

Q

S

S

K

K

V

V

A

A

V

I

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

Y

H

G

A

H

H

T

A

N

C

N

N

M

L

K

K

D

D

S

S

G

G

V

V

D

D

V

V

C

Y

V

V

A

G

L

L

R

R

E

A

G

G

S

S

S

A

S

S

W

V

K

A

K

K

A

A

E

E

G

A

A

H

G

G

L

L

K

T

V

V

M

K

E

S

V

V

K

K

E

D

A

A

C

V

K

A

W

A

A

A

D

D

F

V

I

V

M

M

V

I

L

L

A

T

P

P

D

D

E

E

C

F

Q

Q

G

G

D

R

I

L

Y

Y

K

K

E

D

A

E

I

I

E

E

P

P

G

N

L

L

E

K

G

G

N

A

Y

T

L

L

A

A

F

F

A

A

H

H

G

G

F

F

N

S

I

I

L

H

F

Y

N

N

Q

Q

I

V

V

V

P

P

P

R

T

A

D

D

V

L

N

D

V

V

V

I

M

M

I

I

A

A

P

P

K
|
K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

A

S

E

E

Y

F

Q

V

K

R

G

G

A

G

G

G

V

I

P

P

C

D

L

L

I

I

A

A

I

V

E

Y

Q

Q

D

D

Y

A

T

S

G

G

D

N

S

A

R

K

E

N

M

L

A

A

L

L

S

S

Y

Y

A

A

N

C

A

G

I

V

G

G

A

G

R

R

A

T

A

G

I

I

L

I

E

E

T

T

F

F

K

K

E

D

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

A

V

V

L

L

C

C

G

G

L

C

A

V

Q

E

L

L

I

V

Q

K

Y

A

G

G

F

F

E

E

T

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

A

P

P

E

E

M

M

A

A

Y

Y

Y

F

E
|
E

C

C

L

L

H

H

E
|
E

V

L

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

F

E

E

G

G

I

I

T

A

N

N

M

M

R

N

Y

Y

S

S

I

I

S

S

N

N

T

N

A

A

Q

E

Y

Y

G

G

D

E

L

Y

T

V

R

T

G

G

P

P

R

E

I

V

I

I

T

N

P

E

E

Q

V

S

K

R

E

Q

N

A

M

M

K

R

Q

N

A

A

L

L

Y

K

E

R

I

I

Q

Q

S

D

G

G

Q

E

F

Y

A

A

N

K

E

M

W

F

M

I

L

T

E

E

N

G

K

A

A

A

N

N

C

Y

P

P

N

S

F

M

H

T

A

A

L

Y

T

R

R

R

M

N

G

N

A

A

E

A

H

H

P

Q

I

I

E

E

K

V

V

V

G

G

E

E

K

K

L

L

R

R

G

T

L

M

M

M

S

P

W

W

L

I

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

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)
61% identity, 96% coverage: 2:327/338 of query aligns to 3:327/344 of C8WR67

query
sites
C8WR67

K

K

I

I

Y

Y

E

D

K

A

D

D

T

I

N

S

L

I

E

Q

L

P

I

L

K

A

S

D

K

K

K

R

V

I

A

A

V

V

I

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

Y

H

G

A

H

H

T

A

N

Q

N

N

M

L

K

R

D

D

S

S

G

G

V

F

D

D

V

V

C

V

V

I

A

G

L

L

R
|
R

E

P

G

G

S

S

S
|
S

S

-

W

W

K

A

K

K

A

A

E

E

G

A

A

D

G

G

L

F

K

R

V

V

M

M

E

A

V

V

K

G

E

E

A

A

C

V

K

E

W

E

A

S

D

D

F

V

I

I

M

M

V

I

L

L

A

L

P

P

D
|
D

E
|
E

C
x
R

Q
|
Q

G

P

D

A

I

V

Y

Y

K

E

E

R

A

E

I

I

E

R

P

P

G

Y

L

L

E

T

E

A

G

G

N

K

Y

A

L

L

A

A

F

F

A

A

H

H

G

G

F

F

N

N

I

I

L

H

F

F

N

S

Q

Q

I

I

V

Q

P

P

T

K

D

D

V

V

N

D

V

V

V

F

M

M

I

V

A

A

P

P

K

K

G

G

P

P

G
|
G

H

H

L

L

V

V

R

R

A

R

E

V

Y

Y

Q

E

K

A

G

G

A

G

G

G

V

V

P

P

C

A

L

L

I

I

A

A

I

V

E

H

Q

Q

D

D

Y

A

T

S

G

G

D

Q

S

A

R

K

E

D

M

L

A

A

L

L

S

A

Y

Y

A

A

N

R

A

G

I

I

G

G

G

A

A

G

R

R

A

A

A

G

I

I

L

L

E

T

T

T

F

F

K

R

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

A

V

V

L

L

C

C

G

G

L

L

A

S

Q

A

L

L

I

I

Q

K

Y

A

G

G

F

F

E

E

T

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

Q

P

P

E

E

M

I

A

A

Y

Y

Y

F

E
|
E

C

C

L

L

H

H

E

E

V

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

E

G

G

I

L

T

E

N

Y

M

M

R

R

Y

Y

S

S

I

I

S

S

N

D

T

T

A

A

Q

Q

Y

W

G

G

D

D

L

F

T

T

R

S

G

G

P

P

R

R

I

I

T

N

P

E

E

E

V

T

K

K

E

K

N

E

M

M

K

R

Q

R

A

I

L

L

Y

A

E

D

I

I

Q

Q

S

S

G

G

Q

A

F

F

A

A

N

K

E

S

W

W

M

I

L

L

E

E

N

N

K

Q

A

A

N

N

C

R

P

P

N

M

F

F

H

N

A

A

L

I

T

N

R

R

M

R

G

E

A

L

E

E

H

H

P

P

I

I

E

E

K

V

V

V

G

G

E

R

K

K

L

L

R

R

G

S

L

M

M

M

S

P

W

F

L

I

YGSQ 25:28 (= YGSQ 24:27) binding NADP(+)
R48 (= R47) binding NADP(+); mutation to P: Inversion of the cofactor specificity from NADPH to NADH.
S52 (= S51) binding NADP(+); mutation to D: Inversion of the cofactor specificity from NADPH to NADH.
DERQ 82:85 (≠ DECQ 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)
61% identity, 96% coverage: 2:327/338 of query aligns to 2:326/333 of 4tskA

query
sites
4tskA

K

K

I

I

Y

Y

E

D

K

A

D

D

T

I

N

S

L

I

E

Q

L

P

I

L

K

A

S

D

K

K

K

R

V

I

A

A

V

V

I

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

Y

H

G

A

H

H

T

A

N

Q

N

N

M

L

K

R

D

D

S

S

G

G

V

F

D

D

V

V

C

V

V

I

A

G

L
|
L

R
|
R

E

P

G

G

S

S

S
|
S

S

-

W

W

K

A

K

K

A

A

E

E

G

A

A

D

G

G

L

F

K

R

V

V

M

M

E

A

V

V

K

G

E

E

A

A

C

V

K

E

W

E

A

S

D

D

F

V

I

I

M

M

V

I

L
|
L

A
x
L

P
|
P

D
|
D

E

E

C

R

Q

Q

G

P

D

A

I

V

Y

Y

K

E

E

R

A

E

I

I

E

R

P

P

G

Y

L

L

E

T

E

A

G

G

N

K

Y

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

L

H

F

F

N

S

Q

Q

I

I

V

Q

P

P

T

K

D

D

V

V

N

D

V

V

V

F

M

M

I

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

L

L

V

V

R

R

A

R

E

V

Y

Y

Q

E

K

A

G

G

A

G

G

G

V

V

P

P

C

A

L

L

I

I

A

A

I

V

E

H

Q

Q

D

D

Y

A

T

S

G

G

D

Q

S

A

R

K

E

D

M

L

A

A

L

L

S

A

Y

Y

A

A

N

R

A

G

I

I

G

G

G

A

A

G

R

R

A

A

A

G

I

I

L

L

E

T

T

T

F

F

K

R

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

A

V

V

L

L

C

C

G

G

L

L

A

S

Q

A

L

L

I

I

Q

K

Y

A

G

G

F

F

E

E

T

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

Q

P

P

E

E

M

I

A

A

Y

Y

Y

F

E

E

C

C

L

L

H

H

E

E

V

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

E

G

G

I

L

T

E

N

Y

M

M

R
|
R

Y
|
Y

S

S

I
|
I

S

S

N
x
D

T

T

A

A

Q
|
Q

Y

W

G

G

D

D

L

F

T

T

R

S

G

G

P

P

R

R

I

I

T

N

P

E

E

E

V

T

K

K

E

K

N

E

M

M

K

R

Q

R

A

I

L

L

Y

A

E

D

I

I

Q

Q

S

S

G

G

Q

A

F

F

A

A

N

K

E

S

W

W

M

I

L

L

E

E

N

N

K

Q

A

A

N

N

C

R

P

P

N

M

F

F

H

N

A

A

L

I

T

N

R

R

M

R

G

E

A

L

E

E

H

H

P

P

I

I

E

E

K

V

V

V

G

G

E

R

K

K

L

L

R

R

G

S

L

M

M

M

S

P

W

F

L

I

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 (≠ N252), Q254 (= Q255)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), L46 (= L46), R47 (= R47), S51 (= S51), L78 (= L79), L79 (≠ A80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132)

8k32C The complex structure of slkari with nadh at 2.12-angstrom resolution
56% identity, 96% coverage: 2:327/338 of query aligns to 2:332/333 of 8k32C

query
sites
8k32C

K

R

I

M

Y

Y

E

D

K

A

D

D

T

A

N

N

L

L

E

D

L

L

I

L

K

K

S

G

K

K

K

T

V

I

A

A

V

V

I

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

Y

H

G

A

H

Q

T

A

N

Q

N

N

M

L

K

H

D

D

S

S

G

G

V

L

D

E

V

V

C

V

V

V

A

G

L

L

R
|
R

E

K

-

P

-

E

-

D

-

F

G

T

S

T

S

A

S
x
E

W

W

K

N

K

Q

A

V

E

V

G

A

A

D

G

G

L

L

K

T

V

P

M

L

E

P

V

V

K

D

E

E

A

A

C

A

K

R

W

A

A

A

D

Q

F

I

I

I

M

Q

V

I

L
|
L

A
x
V

P
|
P

D
|
D

E

D

C

I

Q

Q

G

A

D

K

I
x
V

Y

Y

K

R

E

E

A

K

I

I

E

E

P

P

G

Y

L

L

E

N

E

E

G

G

N

D

Y

A

L

L

A

G

F

F

A
x
S

H
|
H

G

G

F

F

N

N

I

I

L

H

F

F

N

G

Q

Q

I

I

V

V

P

P

T

P

D

S

V

V

N

D

V

V

V

F

M

M

I

V

A

A

P

P

K

K

G

S

P

P

G

G

H

H

L

L

V

V

R

R

A

R

E

M

Y

Y

Q

R

K

Q

G

G

A

V

G

G

V

V

P

P

C

G

L

L

I

I

A

A

I

V

E

H

Q

N

D

D

Y

H

T

T

G

G

D

K

S

A

R

L

E

E

M

T

A

G

L

L

S

A

Y

Y

A

A

N

K

A

G

I

I

G

G

G

C

A

T

R

R

A

A

A

G

I

V

L

I

E

A

T

T

F

F

K

K

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

C

V

V

L

L

C

C

G

G

L

V

A

T

Q

E

L

L

I

I

Q

K

Y

A

G

G

F

F

E

D

T

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

Q

P

P

E

E

M

I

A

A

Y

Y

Y

F

E
|
E

C

C

L

L

H

H

E
|
E

V

L

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

E

G

G

I

I

T

G

N

L

M

M

R

R

Y

Y

S

S

I

V

S

S

N

D

T

T

A

A

Q

E

Y

Y

G

G

D

D

L

L

T

T

R

V

G

G

P

P

R

R

I

I

T

N

P

E

E

N

V

T

K

R

E

A

N

E

M

M

K

K

Q

K

A

V

L

L

Y

A

E

A

I

I

Q

Q

S

D

G

G

Q

T

F

F

A

A

N

R

E

E

W

L

M

L

L

L

E

E

N

F

K

Q

A

V

N

G

C

R

P

P

N

V

F

F

H

S

A

A

L

L

T

R

R

R

M

K

G

G

A

Q

E

E

H

H

P

L

I

I

E

E

K

K

V

V

G

G

E

K

K

E

L

L

R

R

G

A

L

M

M

M

S

P

W

W

L

L

binding magnesium ion: D195 (= D190), E199 (= E194), E231 (= E226), E235 (= E230)
binding 1,4-dihydronicotinamide adenine dinucleotide: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), R47 (= R47), E57 (≠ S52), L84 (= L79), V85 (≠ A80), P86 (= P81), D87 (= D82), V93 (≠ I88), S111 (≠ A106), H112 (= H107)

8cy8A Apo form cryo-em structure of campylobacter jejune ketol-acid reductoisommerase crosslinked by glutaraldehyde
58% identity, 97% coverage: 1:327/338 of query aligns to 1:311/312 of 8cy8A

query
sites
8cy8A

M

I

K

T

I

V

Y

Y

E

D

K

K

D

D

T

C

N

D

L

L

E

N

L

L

I

I

K

K

S

S

K

K

V

V

A

A

V

I

I

I

G

G

Y

F

G

G

S

S

Q

Q

G

G

Y

H

G

A

H

H

T

A

N

M

N

N

M

L

K

R

D

D

S

N

G

G

V

V

D

N

V

V

C

T

V

I

A

G

L

L

R

R

E

N

G

-

S

-

W

-

K

-

A

-

E

-

G

-

A

A

G

G

L

F

K

E

V

V

M

M

E

S

V

V

K

S

E

E

A

A

C

S

K

K

W

I

A

A

D

D

F

V

I

I

M

M

V

I

L

L

A

A

P

P

D

D

E

E

C

I

Q

Q

G

A

D

D

I

I

Y

F

K

N

E

V

A

E

I

I

E

K

P

P

G

N

L

L

E

S

E

E

G

G

N

K

Y

A

L

I

A

A

F

F

A

A

H

H

G

G

F

F

N

N

I

I

L

H

F

Y

N

G

Q

Q

I

I

V

V

P

V

P

P

T

K

D

G

V

V

N

D

V

V

V

I

M

M

I

I

A

A

P

P

K

K

G

A

P

P

G

G

H

H

L

T

V

V

R

R

A

N

E

E

Y

-

Q

-

K

-

G

-

A

-

G

-

V

T

P

P

C

C

L

L

I

I

A

A

I

I

E

H

Q

Q

D

D

Y

E

T

S

G

K

D

N

S

A

R

K

E

N

M

L

A

A

L

L

S

S

Y

Y

A

A

N

S

A

A

I

I

G

G

A

G

R

R

A

T

A

G

I

I

L

I

E

E

T

T

F

F

K

K

E

A

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

A

V

V

L
|
L

C

C

G

G

L

L

A

S

Q

A

L

L

I

I

Q

Q

Y

A

G

G

F

F

E

E

T

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

E

P

P

E

E

M

M

A

A

Y

Y

Y

F

E

E

C

C

L

L

H

H

E

E

V

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

Q

G

G

I

I

T

A

N

D

M

M

R

R

Y

Y

S

S

I

I

S

S

N

N

T

T

A

A

Q

E

Y

Y

G

G

D

D

L

Y

T

I

R

T

G

G

P

P

R

K

I

I

T

T

P

E

E

E

V

T

K

K

E

K

N

A

M

M

K

K

Q

G

A

V

L

L

Y

K

E

D

I

I

Q

Q

S

N

G

G

Q

V

F

F

A

A

N

K

E

D

W

F

M

I

L

L

E

E

N

R

K

R

A

A

N

G

C

F

P

A

N

R

F

M

H

H

A

A

L

E

T

R

R

K

M

N

G

M

A

N

E

D

H

S

P

L

I

I

E

E

K

K

V

T

G

G

E

R

K

N

L

L

R

R

G

A

L

M

M

M

S

P

W

W

L

I

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

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: 1:329/338 of query aligns to 3:331/337 of P9WKJ7

query
sites
P9WKJ7

M

L

K

E

I

M

Y

F

Y

Y

E

D

K

D

D

D

T

A

N

D

L

L

E

S

L

I

I

I

K

Q

S

G

K

R

K

K

V

V

A

G

V

V

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

Y

H

G

A

H

H

T

S

N

L

N

S

M

L

K

R

D

D

S

S

G

G

V

V

D

Q

V

V

C

R

V

V

A

G

L

L

R

K

E

Q

G

G

S

S

S

R

S

S

W

R

K

P

K

K

A

V

E

E

G

E

A

Q

G

G

L

L

K

D

V

V

M

D

E

T

V

P

K

A

E

E

A

V

C

A

K

K

W

W

A

A

D

D

F

V

I

V

M

M

V

V

L

L

A

A

P

P

D

D

E

T

C

A

Q

Q

G

A

D

E

I

I

Y

F

K

A

E

G

A

D

I

I

E

E

P

P

G

N

L

L

E

K

E

P

G

G

N

D

Y

A

L

L

A

F

F

F

A

G

H

H

G

G

F

L

N

N

I

V

L

H

F

F

N

G

Q

L

I

I

V

K

P

P

T

A

D

D

V

V

N

A

V

V

V

A

M

M

I

V

A

A

P

P

K

K

G

G

P

P

G

G

H

H

L

L

V

V

R

R

A

R

E

Q

Y

F

Q

V

K

D

G

G

A

K

G

G

V

V

P

P

C

C

L

L

I

V

A

A

I

V

E

E

Q

Q

D

D

Y

P

T

R

G

G

D

D

S

G

R

L

E

A

M

L

A

A

L

L

S

S

Y

Y

A

A

N

K

A

A

I

I

G

G

A

T

R

R

A

A

A

G

I

V

L

I

E

K

T

T

F

F

K

K

E

D

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

T

V

V

L

L

C

C

G

G

L

T

A

E

Q

E

L

L

I

V

Q

K

Y

A

G

G

F

F

E

E

T

V

L

M

T

V

E

E

A

A

G

G

Y

Y

A

P

P

A

E

E

M

L

A

A

Y

Y

Y

F

E
|
E

C

V

L

L

H

H

E
|
E

V

L

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

L

T

A

N

R

M

M

R

Y

Y

Y

S

S

I

V

S

S

N

D

T

T

A

A

Q

E

Y

F

G

G

D

G

L

Y

T

L

R

S

G

G

P

P

R

R

I

V

I

I

T

D

P

A

E

G

V

T

K

K

E

E

N

R

M

M

K

R

Q

D

A

I

L

L

Y

R

E

E

I

I

Q

Q

S

D

G

G

Q

S

F

F

A

V

N

H

E

K

W

L

M

V

L

A

E

D

N

V

K

E

A

G

N

G

C

N

P

K

N

Q

F

L

H

E

A

E

L

L

T

R

R

R

M

Q

G

N

A

A

E

E

H

H

P

P

I

I

E

E

K

V

V

V

G

G

E

K

K

K

L

L

R

R

G

D

L

L

M

M

S

S

W

W

L

V

D

D

K

R

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

6bulB Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 2
58% identity, 96% coverage: 3:327/338 of query aligns to 3:326/327 of 6bulB

query
sites
6bulB

I

V

Y

Y

E

D

K

Q

D

D

T

V

N

K

L

T

E

D

L

A

I

L

K

Q

S

G

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

Y

H

G

A

H

H

T

A

N

Q

N

N

M

L

K

K

D

D

S

N

G

G

V

Y

D

D

V

V

C

V

V

I

A

G

L
x
I

R
|
R

E

P

G

G

S

R

S
|
S

S

-

W

F

K

D

K

K

A

A

E

K

G

E

A

D

G

G

L

F

K

D

V

V

M

F

E

P

V

V

K

A

E

E

A

A

C

V

K

K

W

Q

A

A

D

D

F

V

I

I

M

M

V

V

L
|
L

A
x
L

P
|
P

D
|
D

E

E

C

I

Q

Q

G

G

D

D

I

V

Y

Y

K

K

E

N

A

E

I

I

E

E

P

P

G

N

L

L

E

E

E

K

G

H

N

N

Y

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

L

H

F

F

N

G

Q

V

I

I

V

Q

P

P

T

A

D

D

V

V

N

D

V

V

V

F

M

L

I

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

L

L

V

V

R

R

A

R

E

T

Y

F

Q

V

K

E

G

G

A

S

G

A

V

V

P

P

C

S

L

L

I

F

A

G

I

I

E

Q

Q

Q

D

D

Y

A

T

S

G

G

D

Q

S

A

R

R

E

N

M

I

A

A

L

L

S

S

Y

Y

A

A

N

K

A

G

I

I

G

G

G

A

A

T

R

R

A

A

A

G

I

V

L

I

E

E

T

T

F

F

K

K

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

A

V

V

L

L

C

C

G

G

L

V

A

S

Q

K

L

L

I

I

Q

Q

Y

S

G

G

F

F

E

E

T

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

Q

P

P

E

E

M

L

A

A

Y

Y

Y

F

E

E

C

V

L

L

H

H

E
|
E

V

M

K

K

L

L

I
|
I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

M

T

E

N

N

M

V

R

R

Y

Y

S
|
S

I
|
I

S
|
S

N

N

T

T

A
|
A

Q

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

I

V

I

I

T

T

P

P

E

D

V

V

K

K

E

E

N

N

M

M

K

K

Q

A

A

V

L

L

Y

T

E

D

I

I

Q

Q

S

N

G

G

Q

N

F

F

A

S

N

N

E

R

W

F

M

I

L

E

E

D

N

N

K

K

A

N

N

G

C

F

P

K

N

E

F

F

H

Y

A

K

L

L

T

R

R

E

M

E

G

Q

A

H

E

G

H

H

P

Q

I

I

E

E

K

K

V

V

G

G

E

R

K

E

L

L

R

R

G

E

L

M

M

M

S

P

W

F

L

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 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ L46), R47 (= R47), S51 (= S51), L78 (= L79), L79 (≠ A80), 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)
58% identity, 96% coverage: 3:327/338 of query aligns to 3:326/326 of 6vo2A

query
sites
6vo2A

I

V

Y

Y

E

D

K

Q

D

D

T

V

N

K

L

T

E

D

L

A

I

L

K

Q

S

G

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

Y

H

G

A

H

H

T

A

N

Q

N

N

M

L

K

K

D

D

S

N

G

G

V

Y

D

D

V

V

C

V

V

I

A

G

L
x
I

R
|
R

E

P

G

G

S

R

S
|
S

S

-

W

F

K

D

K

K

A

A

E

K

G

E

A

D

G

G

L

F

K

D

V

V

M

F

E

P

V

V

K

A

E

E

A

A

C

V

K

K

W

Q

A

A

D

D

F

V

I

I

M

M

V

V

L
|
L

A
x
L

P
|
P

D
|
D

E

E

C

I

Q

Q

G

G

D

D

I

V

Y

Y

K

K

E

N

A

E

I

I

E

E

P

P

G

N

L

L

E

E

E

K

G

H

N

N

Y

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

L

H

F

F

N

G

Q

V

I

I

V

Q

P

P

T

A

D

D

V

V

N

D

V

V

V

F

M

L

I

V

A

A

P

P

K

K

G
|
G

P
|
P

G

G

H

H

L

L

V

V

R

R

A

R

E

T

Y

F

Q

V

K

E

G

G

A

S

G

A

V

V

P

P

C

S

L

L

I

F

A

G

I

I

E

Q

Q

Q

D

D

Y

A

T

S

G

G

D

Q

S

A

R

R

E

N

M

I

A

A

L

L

S

S

Y

Y

A

A

N

K

A

G

I

I

G

G

G

A

A

T

R

R

A

A

A

G

I

V

L

I

E

E

T

T

F

F

K

K

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

A

V

V

L

L

C

C

G

G

L

V

A

S

Q

K

L

L

I

I

Q

Q

Y

S

G

G

F

F

E

E

T

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

Q

P

P

E

E

M

L

A

A

Y

Y

Y

F

E

E

C

V

L

L

H

H

E
|
E

V

M

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

M

T

E

N

N

M

V

R

R

Y

Y

S

S

I
|
I

S
|
S

N

N

T

T

A
|
A

Q

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

I

V

I

I

T

T

P

P

E

D

V

V

K

K

E

E

N

N

M

M

K

K

Q

A

A

V

L

L

Y

T

E

D

I

I

Q

Q

S

N

G

G

Q

N

F

F

A

S

N

N

E

R

W

F

M

I

L

E

E

D

N

N

K

K

A

N

N

G

C

F

P

K

N

E

F

F

H

Y

A

K

L

L

T

R

R

E

M

E

G

Q

A

H

E

G

H

H

P

Q

I

I

E

E

K

K

V

V

G

G

E

R

K

E

L

L

R

R

G

E

L

M

M

M

S

P

W

F

L

I

binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ L46), R47 (= R47), S51 (= S51), L78 (= L79), L79 (≠ A80), 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
58% identity, 96% coverage: 3:327/338 of query aligns to 3:326/326 of 6c5nA

query
sites
6c5nA

I

V

Y

Y

E

D

K

Q

D

D

T

V

N

K

L

T

E

D

L

A

I

L

K

Q

S

G

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

Y

H

G

A

H

H

T

A

N

Q

N

N

M

L

K

K

D

D

S

N

G

G

V

Y

D

D

V

V

C

V

V

I

A

G

L
x
I

R
|
R

E

P

G

G

S

R

S
|
S

S

-

W

F

K

D

K

K

A

A

E

K

G

E

A

D

G

G

L

F

K

D

V

V

M

F

E

P

V

V

K

A

E

E

A

A

C

V

K

K

W

Q

A

A

D

D

F

V

I

I

M

M

V

V

L
|
L

A
x
L

P
|
P

D
|
D

E

E

C

I

Q

Q

G

G

D

D

I

V

Y

Y

K

K

E

N

A

E

I

I

E

E

P

P

G

N

L

L

E

E

E

K

G

H

N

N

Y

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

L

H

F

F

N

G

Q

V

I

I

V

Q

P

P

T

A

D

D

V

V

N

D

V

V

V

F

M

L

I

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

L

L

V

V

R

R

A

R

E

T

Y

F

Q

V

K

E

G

G

A

S

G

A

V

V

P

P

C

S

L

L

I

F

A

G

I

I

E

Q

Q

Q

D

D

Y

A

T

S

G

G

D

Q

S

A

R

R

E

N

M

I

A

A

L

L

S

S

Y

Y

A

A

N

K

A

G

I

I

G

G

G

A

A

T

R

R

A

A

A

G

I

V

L

I

E

E

T

T

F

F

K

K

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

A

V

V

L

L

C
|
C

G

G

L

V

A

S

Q

K

L

L

I

I

Q

Q

Y

S

G

G

F

F

E

E

T

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

Q

P

P

E

E

M

L

A

A

Y

Y

Y

F

E

E

C

V

L

L

H

H

E
|
E

V

M

K

K

L

L

I
|
I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

M

T

E

N

N

M

V

R

R

Y

Y

S
|
S

I
|
I

S
|
S

N

N

T

T

A
|
A

Q

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

I

V

I

I

T

T

P

P

E

D

V

V

K

K

E

E

N

N

M

M

K

K

Q

A

A

V

L

L

Y

T

E

D

I

I

Q

Q

S

N

G

G

Q

N

F

F

A

S

N

N

E

R

W

F

M

I

L

E

E

D

N

N

K

K

A

N

N

G

C

F

P

K

N

E

F

F

H

Y

A

K

L

L

T

R

R

E

M

E

G

Q

A

H

E

G

H

H

P

Q

I

I

E

E

K

K

V

V

G

G

E

R

K

E

L

L

R

R

G

E

L

M

M

M

S

P

W

F

L

I

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding (cyclopentylamino)(oxo)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), C198 (= C199), E229 (= E230), I233 (= I234), I249 (= I250), S250 (= S251), A253 (= A254)
binding [cyclopentyl(hydroxy)amino](oxo)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), C198 (= C199), E229 (= E230), I249 (= I250), S250 (= S251), A253 (= A254)
binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ L46), R47 (= R47), S51 (= S51), L78 (= L79), L79 (≠ A80), 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
58% identity, 96% coverage: 3:327/338 of query aligns to 3:326/326 of 6c55A

query
sites
6c55A

I

V

Y

Y

E

D

K

Q

D

D

T

V

N

K

L

T

E

D

L

A

I

L

K

Q

S

G

K

K

V

I

A

A

V

V

I

V

G

G

Y

Y

G
|
G

S
|
S

Q
|
Q

G

G

Y

H

G

A

H

H

T

A

N

Q

N

N

M

L

K

K

D

D

S

N

G

G

V

Y

D

D

V

V

C

V

V

I

A

G

L
x
I

R
|
R

E

P

G

G

S

R

S
|
S

S

-

W

F

K

D

K

K

A

A

E

K

G

E

A

D

G

G

L

F

K

D

V

V

M

F

E

P

V

V

K

A

E

E

A

A

C

V

K

K

W

Q

A

A

D

D

F

V

I

I

M

M

V

V

L

L

A
x
L

P
|
P

D
|
D

E

E

C
x
I

Q

Q

G

G

D

D

I

V

Y

Y

K

K

E

N

A

E

I

I

E

E

P

P

G

N

L

L

E

E

E

K

G

H

N

N

Y

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

L

H

F

F

N

G

Q

V

I

I

V

Q

P

P

T

A

D

D

V

V

N

D

V

V

V

F

M

L

I

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

L

L

V

V

R

R

A

R

E

T

Y

F

Q

V

K

E

G

G

A

S

G

A

V

V

P

P

C

S

L

L

I

F

A

G

I

I

E

Q

Q

Q

D

D

Y

A

T

S

G

G

D

Q

S

A

R

R

E

N

M

I

A

A

L

L

S

S

Y

Y

A

A

N

K

A

G

I

I

G

G

G

A

A

T

R

R

A

A

A

G

I

V

L

I

E

E

T

T

F

F

K

K

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

A

V

V

L

L

C
|
C

G

G

L

V

A

S

Q

K

L

L

I

I

Q

Q

Y

S

G

G

F

F

E

E

T

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

Q

P

P

E

E

M

L

A

A

Y

Y

Y

F

E

E

C

V

L

L

H

H

E

E

V

M

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

M

T

E

N

N

M

V

R

R

Y

Y

S
|
S

I
|
I

S
|
S

N

N

T

T

A
|
A

Q

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

I

V

I

I

T

T

P

P

E

D

V

V

K

K

E

E

N

N

M

M

K

K

Q

A

A

V

L

L

Y

T

E

D

I

I

Q

Q

S

N

G

G

Q

N

F

F

A

S

N

N

E

R

W

F

M

I

L

E

E

D

N

N

K

K

A

N

N

G

C

F

P

K

N

E

F

F

H

Y

A

K

L

L

T

R

R

E

M

E

G

Q

A

H

E

G

H

H

P

Q

I

I

E

E

K

K

V

V

G

G

E

R

K

E

L

L

R

R

G

E

L

M

M

M

S

P

W

F

L

I

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding [cyclohexyl(hydroxy)amino](oxo)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), C198 (= C199)
binding (cyclohexylamino)(oxo)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), C198 (= C199), I249 (= I250), S250 (= S251), A253 (= A254)
binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ L46), R47 (= R47), S51 (= S51), L79 (≠ A80), P80 (= P81), D81 (= D82), I83 (≠ C84), 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)
58% identity, 96% coverage: 3:327/338 of query aligns to 3:326/326 of 6aqjA

query
sites
6aqjA

I

V

Y

Y

E

D

K

Q

D

D

T

V

N

K

L

T

E

D

L

A

I

L

K

Q

S

G

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

Y

H

G

A

H

H

T

A

N

Q

N

N

M

L

K

K

D

D

S

N

G

G

V

Y

D

D

V

V

C

V

V

I

A

G

L
x
I

R
|
R

E

P

G

G

S

R

S
|
S

S

-

W

F

K

D

K

K

A

A

E

K

G

E

A

D

G

G

L

F

K

D

V

V

M

F

E

P

V

V

K

A

E

E

A

A

C

V

K

K

W

Q

A

A

D

D

F

V

I

I

M

M

V

V

L
|
L

A
x
L

P
|
P

D
|
D

E

E

C

I

Q

Q

G

G

D

D

I

V

Y

Y

K

K

E

N

A

E

I

I

E

E

P

P

G

N

L

L

E

E

E

K

G

H

N

N

Y

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

L

H

F

F

N

G

Q

V

I

I

V

Q

P

P

T

A

D

D

V

V

N

D

V

V

V

F

M

L

I

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

H

H

L

L

V

V

R

R

A

R

E

T

Y

F

Q

V

K

E

G

G

A

S

G

A

V

V

P

P

C

S

L

L

I

F

A

G

I

I

E

Q

Q

Q

D

D

Y

A

T

S

G

G

D

Q

S

A

R

R

E

N

M

I

A

A

L

L

S

S

Y

Y

A

A

N

K

A

G

I

I

G

G

G

A

A

T

R

R

A

A

A

G

I

V

L

I

E

E

T

T

F

F

K

K

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

A

V

V

L

L

C

C

G

G

L

V

A

S

Q

K

L

L

I

I

Q

Q

Y

S

G

G

F

F

E

E

T

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

Q

P

P

E

E

M

L

A

A

Y

Y

Y

F

E

E

C

V

L

L

H

H

E
|
E

V

M

K

K

L

L

I
|
I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

M

T

E

N

N

M

V

R

R

Y

Y

S

S

I
|
I

S
|
S

N

N

T

T

A
|
A

Q

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

I

V

I

I

T

T

P

P

E

D

V

V

K

K

E

E

N

N

M

M

K

K

Q

A

A

V

L

L

Y

T

E

D

I

I

Q

Q

S

N

G

G

Q

N

F

F

A

S

N

N

E

R

W

F

M

I

L

E

E

D

N

N

K

K

A

N

N

G

C

F

P

K

N

E

F

F

H

Y

A

K

L

L

T

R

R

E

M

E

G

Q

A

H

E

G

H

H

P

Q

I

I

E

E

K

K

V

V

G

G

E

R

K

E

L

L

R

R

G

E

L

M

M

M

S

P

W

F

L

I

active site: K129 (= K130), D189 (= D190), E193 (= E194)
binding oxo(propan-2-ylamino)acetic acid: P131 (= P132), D189 (= D190), E193 (= E194), E229 (= E230), I233 (= I234), I249 (= I250), S250 (= S251), A253 (= A254)
binding n-hydroxy-n-isopropyloxamic acid: P131 (= P132), D189 (= D190), E193 (= E194), E229 (= E230), I249 (= I250), S250 (= S251), A253 (= A254)
binding magnesium ion: D189 (= D190), E193 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ L46), R47 (= R47), S51 (= S51), L78 (= L79), L79 (≠ A80), 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)
58% identity, 96% coverage: 3:327/338 of query aligns to 3:326/326 of 5w3kA

query
sites
5w3kA

I

V

Y

Y

E

D

K

Q

D

D

T

V

N

K

L

T

E

D

L

A

I

L

K

Q

S

G

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

Y

H

G

A

H

H

T

A

N

Q

N

N

M

L

K

K

D

D

S

N

G

G

V

Y

D

D

V

V

C

V

V

I

A

G

L
x
I

R
|
R

E

P

G

G

S

R

S
|
S

S

-

W

F

K

D

K

K

A

A

E

K

G

E

A

D

G

G

L

F

K

D

V

V

M

F

E

P

V

V

K

A

E

E

A

A

C
x
V

K
|
K

W

Q

A
|
A

D

D

F

V

I

I

M

M

V

V

L
|
L

A
x
L

P
|
P

D
|
D

E

E

C

I

Q

Q

G

G

D

D

I

V

Y

Y

K

K

E

N

A

E

I

I

E

E

P

P

G

N

L

L

E

E

E

K

G

H

N
|
N

Y

A

L

L

A

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

L

H

F

F

N

G

Q

V

I

I

V

Q

P

P

T

A

D

D

V

V

N

D

V

V

V

F

M

L

I

V

A

A

P

P

K
|
K

G

G

P
|
P

G
|
G

H

H

L

L

V

V

R

R

A

R

E

T

Y

F

Q

V

K

E

G

G

A

S

G

A

V

V

P

P

C

S

L

L

I

F

A

G

I

I

E

Q

Q

Q

D

D

Y

A

T

S

G

G

D

Q

S

A

R

R

E

N

M

I

A

A

L

L

S

S

Y

Y

A

A

N

K

A

G

I

I

G

G

G

A

A

T

R

R

A

A

A

G

I

V

L

I

E

E

T

T

F

F

K

K

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

A

V

V

L

L

C

C

G

G

L

V

A

S

Q

K

L

L

I

I

Q

Q

Y

S

G

G

F

F

E

E

T

T

L

L

T

V

E

E

A

A

G

G

Y

Y

A

Q

P

P

E

E

M

L

A

A

Y

Y

Y

F

E

E

C

V

L

L

H

H

E
|
E

V

M

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

M

T

E

N

N

M

V

R

R

Y

Y

S

S

I
|
I

S
|
S

N

N

T

T

A
|
A

Q

E

Y

F

G

G

D

D

L

Y

T

V

R

S

G

G

P

P

R

R

I

V

I

I

T

T

P

P

E

D

V

V

K

K

E

E

N

N

M

M

K

K

Q

A

A

V

L

L

Y

T

E

D

I

I

Q

Q

S

N

G

G

Q

N

F

F

A

S

N

N

E

R

W

F

M

I

L

E

E

D

N

N

K

K

A

N

N

G

C

F

P

K

N

E

F

F

H

Y

A

K

L

L

T

R

R

E

M

E

G

Q

A

H

E

G

H

H

P

Q

I

I

E

E

K

K

V

V

G

G

E

R

K

E

L

L

R

R

G

E

L

M

M

M

S

P

W

F

L

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 (≠ C70), K70 (= K71), A72 (= A73), N100 (= N101), D189 (= D190), E193 (= E194)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), I46 (≠ L46), R47 (= R47), S51 (= S51), L78 (= L79), L79 (≠ A80), P80 (= P81), D81 (= D82), H106 (= H107), P131 (= P132), G132 (= G133), I249 (= I250), S250 (= S251)

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

I

M

Y

F

Y

Y

E

D

K

D

D

D

T

A

N

D

L

L

E

S

L

I

I

I

K

Q

S

G

K

R

K

K

V

V

A

G

V

V

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

Y

H

G

A

H

H

T

S

N

L

N

S

M

L

K

R

D

D

S

S

G

G

V

V

D

Q

V

V

C

R

V

V

A

G

L

L

R

K

E

Q

G

G

S

S

S

R

S

S

W

R

K

P

K

K

A

V

E

E

G

E

A

Q

G

G

L

L

K

D

V

V

M

D

E

T

V

P

K

A

E

E

A

V

C

A

K

K

W

W

A

A

D

D

F

V

I

V

M

M

V

V

L

L

A

A

P

P

D

D

E

T

C

A

Q

Q

G

A

D

E

I

I

Y

F

K

A

E

G

A

D

I

I

E

E

P

P

G

N

L

L

E

K

E

P

G

G

N

D

Y

A

L

L

A

F

F

F

A

G

H

H

G

G

F

L

N

N

I

V

L

H

F

F

N

G

Q

L

I

I

V

K

P

P

T

A

D

D

V

V

N

A

V

V

V

A

M

M

I

V

A

A

P

P

K
|
K

G

G

P

P

G

G

H

H

L

L

V

V

R

R

A

R

E

Q

Y

F

Q

V

K

D

G

G

A

K

G

G

V

V

P

P

C

C

L

L

I

V

A

A

I

V

E

E

Q

Q

D

D

Y

P

T

R

G

G

D

D

S

G

R

L

E

A

M

L

A

A

L

L

S

S

Y

Y

A

A

N

K

A

A

I

I

G

G

A

T

R

R

A

A

A

G

I

V

L

I

E

K

T

T

F

F

K

K

E

D

E

E

T

T

E

E

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

T

T

V

V

L

L

C

C

G

G

L

T

A

E

Q

E

L

L

I

V

Q

K

Y

A

G

G

F

F

E

E

T

V

L

M

T

V

E

E

A

A

G

G

Y

Y

A

P

P

A

E

E

M

L

A

A

Y

Y

Y

F

E
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E

C

V

L

L

H

H

E
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E

V

L

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

L

T

A

N

R

M

M

R

Y

Y

Y

S

S

I

V

S

S

N

D

T

T

A

A

Q

E

Y

F

G

G

D

G

L

Y

T

L

R

S

G

G

P

P

R

R

I

V

I

I

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D

P

A

E

G

V

T

K

K

E

E

N

R

M

M

K

R

Q

D

A

I

L

L

Y

R

E

E

I

I

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D

G

G

Q

S

F

F

A

V

N

H

E

K

W

L

M

V

L

A

E

D

N

V

K

E

A

G

N

G

C

N

P

K

N

Q

F

L

H

E

A

E

L

L

T

R

R

R

M

Q

G

N

A

A

E

E

H

H

P

P

I

I

E

E

K

V

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V

G

G

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K

K

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L

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

8ep7C Crystal structure of the ketol-acid reductoisomerase from bacillus anthracis in complex with NADP
56% identity, 97% coverage: 1:327/338 of query aligns to 1:326/328 of 8ep7C

query
sites
8ep7C

M

M

K

K

I

T

Y

Y

E

E

K

Q

D

D

T

A

N

N

L

V

E

G

L

L

I

L

K

Q

S

G

K

K

K

T

V

V

A

A

V

V

I

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

Y

H

G

A

H

Q

T

A

N

Q

N

N

M

L

K

R

D

D

S

S

G

G

V

V

D

E

V

V

C

V

V

V

A

G

L

V

R
|
R

E

P

G

G

S

K

S
|
S

S

-

W

F

K

E

K

V

A

A

E

K

G

A

A

D

G

G

L

F

K

E

V

V

M

M

E

S

V

V

K

S

E

E

A

A

C

V

K

R

W

T

A

A

D

Q

F

V

I

V

M

Q

V

M

L
|
L

A
x
L

P
|
P

D
|
D

E

E

C
x
Q

Q

Q

G

A

D

H

I
x
V

Y

Y

K

K

E

A

A

E

I

V

E

E

P

E

G

N

L

L

E

R

E

E

G

G

N

Q

Y

M

L

L

A

L

F

F

A

S

H
|
H

G

G

F

F

N

N

I

I

L

H

F

F

N

G

Q

Q

I

I

V

N

P

P

T

S

D

Y

V

V

N

D

V

V

V

A

M

M

I

V

A

A

P

P

K

K

G

S

P

P

G

G

H

H

L

L

V

V

R

R

A

R

E

V

Y

F

Q

Q

K

E

G

G

A

N

G

G

V

V

P

P

C

A

L

L

I

V

A

A

I

V

E

H

Q

Q

D

D

Y

A

T

T

G

G

D

T

S

A

R

L

E

H

M

V

A

A

L

L

S

A

Y

Y

A

A

N

K

A

G

I

V

G

G

G

C

A

T

R

R

A

A

A

G

I

V

L

I

E

E

T

T

F

F

K

Q

E

E

T

T

E

E

T

T

D

D

L

L

F

F

G

G

E

E

Q

Q

T

A

V

V

L

L

C

C

G

G

L

V

A

T

Q

A

L

L

I

V

Q

K

Y

A

G

G

F

F

E

E

T

T

L

L

T

T

E

E

A

G

G

G

Y

Y

A

R

P

P

E

E

M

I

A

A

Y

Y

Y

F

E

E

C

C

L

L

H

H

E

E

V

L

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

L

T

T

N

N

M

M

R

R

Y

H

S

S

I

I

S

S

N

D

T

T

A

A

Q

E

Y

F

G

G

D

D

L

Y

T

V

R

T

G

G

P

S

R

R

I

I

I

V

T

T

P

D

E

E

V

T

K

K

E

K

N

E

M

M

K

K

Q

R

A

V

L

L

Y

T

E

E

I

I

Q

Q

S

Q

G

G

Q

E

F

F

A

A

N

K

E

K

W

W

M

I

L

L

E

E

N

N

K

Q

A

A

N

G

C

R

P

P

N

T

F

Y

H

N

A

A

L

M

T

K

R

K

M

A

G

E

A

Q

E

N

H

H

P

Q

I

L

E

E

K

K

V

V

G

G

E

E

K

E

L

L

R

R

G

E

L

M

M

M

S

S

W

W

L

I

binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y24), G25 (= G25), S26 (= S26), Q27 (= Q27), R47 (= R47), S51 (= S51), L78 (= L79), L79 (≠ A80), P80 (= P81), D81 (= D82), Q83 (≠ C84), V87 (≠ I88), H106 (= H107)

Query Sequence

>WP_013009760.1 NCBI__GCF_000025725.1:WP_013009760.1
MKIYYEKDTNLELIKSKKVAVIGYGSQGYGHTNNMKDSGVDVCVALREGSSSWKKAEGAG
LKVMEVKEACKWADFIMVLAPDECQGDIYKEAIEPGLEEGNYLAFAHGFNILFNQIVPPT
DVNVVMIAPKGPGHLVRAEYQKGAGVPCLIAIEQDYTGDSREMALSYANAIGGARAAILE
TTFKEETETDLFGEQTVLCGGLAQLIQYGFETLTEAGYAPEMAYYECLHEVKLIVDLIYE
GGITNMRYSISNTAQYGDLTRGPRIITPEVKENMKQALYEIQSGQFANEWMLENKANCPN
FHALTRMGAEHPIEKVGEKLRGLMSWLDKGKIVDKSKN

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