SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012964912.1 NCBI__GCF_000025505.1:WP_012964912.1 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)
65% identity, 99% coverage: 1:329/334 of query aligns to 1:328/344 of C8WR67

query
sites
C8WR67

M

M

A

E

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K

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D

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D

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N

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YGSQ 25:28 (= YGSQ 25:28) binding
R48 (≠ Y48) binding ; mutation to P: Inversion of the cofactor specificity from NADPH to NADH.
S52 (= S53) binding ; mutation to D: Inversion of the cofactor specificity from NADPH to NADH.
DERQ 82:85 (≠ DTVQ 83:86) binding
G133 (= G134) binding
D190 (= D191) binding
E194 (= E195) binding
E226 (= E227) binding

8ep7C Crystal structure of the ketol-acid reductoisomerase from bacillus anthracis in complex with NADP
64% identity, 98% coverage: 3:328/334 of query aligns to 2:326/328 of 8ep7C

query
sites
8ep7C

K

K

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I

binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), R47 (= R49), S51 (= S53), L78 (= L80), L79 (≠ I81), P80 (= P82), D81 (= D83), Q83 (≠ V85), V87 (= V89), H106 (= H108)

4tskA Ketol-acid reductoisomerase from alicyclobacillus acidocaldarius (see paper)
65% identity, 98% coverage: 3:329/334 of query aligns to 2:327/333 of 4tskA

query
sites
4tskA

K

K

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P

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K

active site: K129 (= K131), D189 (= D191), E193 (= E195)
binding magnesium ion: D189 (= D191), D189 (= D191), E193 (= E195), E193 (= E195), R246 (≠ W248), Y247 (= Y249), I249 (≠ V251), D251 (= D253), Q254 (≠ K256)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), L46 (= L47), R47 (≠ Y48), S51 (= S53), L78 (= L80), L79 (≠ I81), P80 (= P82), D81 (= D83), H106 (= H108), P131 (= P133)

7q03A Ketol-acid reductoisomerase from methanothermococcus thermolithotrophicus in the close state with NADP and mg2+ (see paper)
60% identity, 96% coverage: 3:324/334 of query aligns to 2:323/328 of 7q03A

query
sites
7q03A

K

K

I

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Y

F

Y

Y

D

D

K

S

D

D

A

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E

D

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I
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I

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A

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V

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L

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L

K

K

L

L

I

I

V

I

D

D

L

L

I

I

Y

Y

E

Q

G

K

G

G

I

F

Y

A

A

G

M

M

W

W

Y

N

S

D

V

V

S

S

D

N

T

T

A

A

K

E

Y

Y

G

G

M

L

T

T

R

R

G

R

K

S

R

R

I

V

I

I

N

N

E

E

R

Q

V

S

K

R

E

Q

E

E

M

M

R

R

K

K

I

I

L

L

K

K

E

E

I

I

Q

Q

T

D

G

G

E

R

F

F

A

T

R

K

E

E

W

W

I

A

L

L

E

E

N

N

M

I

A

S

G

G

R

K

P

A

S

H

F

L

Y

N

K

S

L

M

L

R

E

R

M

I

E

E

R

S

N

E

H

L

P

L

I

I

E

E

K

E

V

V

G

G

K

A

E

K

L

L

R

R

K

K

M

M

binding magnesium ion: D190 (= D191), E194 (= E195)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), R47 (≠ Y48), S52 (= S53), L79 (= L80), I80 (= I81), P81 (= P82), D82 (= D83), I84 (≠ V85), H107 (= H108), P132 (= P133)

E0SRA9 Ketol-acid reductoisomerase (NAD(P)(+)); KARI; Acetohydroxy-acid isomeroreductase; AHIR; Alpha-keto-beta-hydroxylacyl reductoisomerase; Ketol-acid reductoisomerase type 1; Ketol-acid reductoisomerase type I; EC 1.1.1.383 from Ignisphaera aggregans (strain DSM 17230 / JCM 13409 / AQ1.S1) (see paper)
58% identity, 97% coverage: 1:325/334 of query aligns to 1:325/335 of E0SRA9

query
sites
E0SRA9

M

M

A

A

K

K

I

I

Y

Y

Y

K

D

D

K

E

D

D

A

I

K

S

L

L

E

E

H

P

L

I

K

K

D

N

R

K

K

T

V

I

A

A

V

I

I

L

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

R

A

A

H

W

A

A

L

L

N

N

L

L

R

R

D

D

S

S

G

G

V

L

D

N

V

V

I

V

V

V

G

G

L

L

Y

E

R
|
R

G

Q

S

G

K

D

S
|
S

W

W

K

R

A

A

E

I

K

D

D

D

G

G

F

F

E

K

V

P

Y

M

E

Y

V

T

S

K

E

D

A

A

V

V

K

A

K

I

S

A

D

D

F

I

V

I

S

V

M

F

L

L

I

V

P

P

D
|
D

T
x
M

V
|
V

Q
|
Q

P

K

A

S

V

L

Y

W

N

L

K

N

Y

S

I

V

R

K

D

D

N

F

L

M

K

K

E

K

G

G

S

A

V

D

L

L

L

V

F

F

A

A

H

H

G

G

F

F

N

N

I

I

H

H

Y

F

N

K

Q

I

I

I

I

E

P

P

S

K

Y

D

V

S

D

D

V

V

V

Y

L

M

V

I

A

A

P

P

K

K

S

S

P

P

G
|
G

H

P

L

I

V

V

R

R

M

S

F

Y

E

E

E

M

G

G

K

G

G

G

V

V

P

P

A

A

L

L

V

V

A

A

V

V

H

Y

Q

Q

D

N

Y

V

S

S

G

G

K

E

A

A

L

L

D

Q

Y

K

A

A

L

L

A

A

Y

I

A

A

K

K

G

G

L

I

G

G

C

C

T

A

R

R

A

A

G

G

V

V

I

I

E

E

T

S

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

V

V

D

I

L

L

C

V

G

G

V

I

A

M

E

E

L

L

I

I

K

K

A

A

T

S

F

F

E

E

I

T

L

L

V

V

E

E

A

E

G

G

Y

Y

Q

Q

P

P

E

E

V

V

A

A

Y

Y

F

F

E

E

A

T

L

V

H

N

E

E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

E

G

K

G

G

I

L

Y

T

A

G

M

M

W

L

Y

R

S

A

V

V

S

S

D

D

T

T

A

A

K

K

Y

Y

G

G

M

I

T

T

R

V

G

G

K

K

R

F

I

I

N

D

E

K

R

S

V

V

K

R

E

D

E

K

M

M

R

K

K

I

I

V

L

L

K

E

E

R

I

I

Q

R

T

S

G

G

E

E

F

F

A

A

R

R

E

E

W

W

I

I

L

K

E

E

N

Y

M

E

A

R

G

G

R

M

P

P

S

T

F

V

Y

F

K

K

L

E

L

L

E

S

M

E

E

L

R

E

N

G

H

S

P

T

I

I

E

E

K

T

V

V

G

G

K

R

E

K

L

L

R

R

K

E

M

M

YGSQ 25:28 (= YGSQ 25:28) binding
R49 (= R49) binding
S53 (= S53) binding
DMVQ 83:86 (≠ DTVQ 83:86) binding
G134 (= G134) binding
D191 (= D191) binding
E195 (= E195) binding

8upqB Campylobacter jejuni ketol-acid reductoisomerase in complex with 2,3- dihydroxy-3-isovalerate.
56% identity, 99% coverage: 4:334/334 of query aligns to 4:337/342 of 8upqB

query
sites
8upqB

I

V

Y

Y

D

D

K

K

D

D

A

C

K

D

L

L

E

N

H

L

L

I

K

K

D

S

R

K

K

K

V

V

A

A

V

I

I

I

G

G

Y

F

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

L

M

N

N

L

L

R

R

D

D

S

N

G

G

V

V

D

N

V

V

I

T

V

I

G

G

L

L

Y

R

R

E

G

G

S

S

K

V

S

S

W

A

K

V

K

K

A

A

E

K

K

N

D

A

G

G

F

F

E

E

V

V

Y

M

E

S

V

V

S

S

E

E

A

A

V

S

K

K

K

I

S

A

D

D

F

V

V

I

S

M

M

I

L

L

I

A

P

P

D

D

T

E

V

I

Q

Q

P

A

A

D

V

I

Y

F

N

N

K

V

Y

E

I

I

R

K

D

P

N

N

L

L

K

S

E

E

G

G

S

K

V

A

L

I

L

A

F

F

A

A

H

H

G

G

F

F

N

N

I

I

H

H

Y

Y

N

G

Q

Q

I

I

I

V

P

V

P

P

S

K

Y

G

V

V

D

D

V

V

V

I

L

M

V

I

A

A

P

P

K

K

S
x
A

P
|
P

G

G

H

H

L

T

V

V

R

R

R

N

M

E

F

F

E

T

E

L

G

G

K

G

G

G

V

T

P

P

A

C

L

L

V

I

A

A

V

I

H

H

Q

Q

D

D

Y

E

S

S

G

K

K

N

A

A

L

K

D

N

Y

L

A

A

L

L

A

S

Y

Y

A

A

K

S

G

A

L

I

G

G

C

G

T

G

R

R

A

T

G

G

V

I

I

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

V

A

D

V

L

L

C

C

G

G

V

L

A

S

E

A

L

L

I

I

K

Q

A

A

T

G

F

F

E

E

I

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

A

C

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

Q

G

G

I

I

Y

A

A

D

M

M

W

R

Y

Y

S

S

V

I

S
|
S

D

N

T

T

A
|
A

K

E

Y

Y

G

G

G

D

M

Y

T

I

R

T

G

G

K

P

R

K

I

I

N

T

E

E

R

E

V

T

K

K

E

K

E

A

M

M

R

K

K

G

I

V

L

L

K

K

E

D

I

I

Q

Q

T

N

G

G

E

V

F

F

A

A

R

K

E

D

W

F

I

I

L

L

E

E

N

R

M

R

A

A

G

G

R

F

P

A

S

R

F

M

Y

H

K

A

L

E

L

R

E

K

M

N

E

M

R

N

N

D

H

S

P

L

I

I

E

E

K

K

V

T

G

G

K

R

E

N

L

L

R

R

K

A

M

M

P

P

W

W

I

I

-

S

-

A

-

K

K

K

G

L

I

V

D

D

V

A

D

D

binding magnesium ion: D191 (= D191), E195 (= E195)
binding (2R)-2,3-dihydroxy-3-methylbutanoic acid: A132 (≠ S132), P133 (= P133), D191 (= D191), E195 (= E195), E231 (= E231), S252 (= S252), A255 (= A255)

8uppA Campylobacter jejuni ketol-acid reductoisomerase in complex with NADPH and hoe704
56% identity, 97% coverage: 4:328/334 of query aligns to 3:327/327 of 8uppA

query
sites
8uppA

I

V

Y

Y

D

D

K

K

D

D

A

C

K

D

L

L

E

N

H

L

L

I

K

K

D

S

R

K

K

K

V

V

A

A

V

I

I

I

G

G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

M

N

N

L

L

R

R

D

D

S

N

G

G

V

V

D

N

V

V

I

T

V

I

G

G

L

L

Y
x
R

R

E

G

G

S
|
S

K

V

S

S

W

A

K

V

K

K

A

A

E

K

K

N

D

A

G

G

F

F

E

E

V

V

Y

M

E

S

V

V

S

S

E

E

A

A

V

S

K

K

K

I

S

A

D

D

F

V

V

I

S

M

M

I

L
|
L

I

A

P
|
P

D
|
D

T

E

V
x
I

Q
|
Q

P

A

A

D

V
x
I

Y

F

N

N

K

V

Y

E

I

I

R

K

D

P

N

N

L

L

K

S

E

E

G

G

S

K

V

A

L

I

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

H

H

Y

Y

N

G

Q

Q

I

I

I

V

P

V

P

P

S

K

Y

G

V

V

D

D

V

V

V

I

L

M

V

I

A

A

P

P

K

K

S
x
A

P
|
P

G

G

H

H

L

T

V

V

R

R

R

N

M

E

F

F

E

T

E

L

G

G

K

G

G

G

V

T

P

P

A

C

L

L

V

I

A

A

V

I

H

H

Q

Q

D

D

Y

E

S

S

G

K

K

N

A

A

L

K

D

N

Y

L

A

A

L

L

A

S

Y

Y

A

A

K

S

G

A

L

I

G

G

C

G

T

G

R

R

A

T

G

G

V

I

I

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

V

A

D

V

L

L

C

C

G

G

V

L

A

S

E

A

L

L

I

I

K

Q

A

A

T

G

F

F

E

E

I

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

A

C

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

Q

G

G

I

I

Y

A

A

D

M

M

W

R

Y

Y

S

S

V
x
I

S
|
S

D

N

T

T

A
|
A

K

E

Y

Y

G

G

G

D

M

Y

T

I

R

T

G

G

K

P

R

K

I

I

N

T

E

E

R

E

V

T

K

K

E

K

E

A

M

M

R

K

K

G

I

V

L

L

K

K

E

D

I

I

Q

Q

T

N

G

G

E

V

F

F

A

A

R

K

E

D

W

F

I

I

L

L

E

E

N

R

M

R

A

A

G

G

R

F

P

A

S

R

F

M

Y

H

K

A

L

E

L

R

E

K

M

N

E

M

R

N

N

D

H

S

P

L

I

I

E

E

K

K

V

T

G

G

K

R

E

N

L

L

R

R

K

A

M

M

P

P

W

W

I

I

binding magnesium ion: D190 (= D191), E194 (= E195)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: F24 (≠ Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), R47 (≠ Y48), S50 (= S51), L79 (= L80), P81 (= P82), D82 (= D83), I84 (≠ V85), Q85 (= Q86), I88 (≠ V89), H107 (= H108), P132 (= P133), I250 (≠ V251), S251 (= S252)
binding (2R)-(dimethylphosphoryl)(hydroxy)acetic acid: A131 (≠ S132), P132 (= P133), D190 (= D191), E194 (= E195), E230 (= E231), I250 (≠ V251), S251 (= S252), A254 (= A255)

8sxdA Campylobacter jejuni keto-acid reductoisomerase in complex with intermediate and NADP+
56% identity, 97% coverage: 4:328/334 of query aligns to 3:327/327 of 8sxdA

query
sites
8sxdA

I

V

Y

Y

D

D

K

K

D

D

A

C

K

D

L

L

E

N

H

L

L

I

K

K

D

S

R

K

K

K

V

V

A

A

V

I

I

I

G
|
G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

M

N

N

L

L

R

R

D

D

S

N

G

G

V

V

D

N

V

V

I

T

V

I

G

G

L

L

Y

R

R

E

G

G

S
|
S

K

V

S
|
S

W

A

K

V

K

K

A

A

E

K

K

N

D

A

G

G

F

F

E

E

V

V

Y

M

E

S

V

V

S

S

E

E

A

A

V

S

K

K

K

I

S

A

D

D

F

V

V

I

S

M

M

I

L
|
L

I
x
A

P
|
P

D
|
D

T

E

V

I

Q

Q

P

A

A

D

V

I

Y

F

N

N

K

V

Y

E

I

I

R

K

D

P

N

N

L

L

K

S

E

E

G

G

S

K

V

A

L

I

L

A

F

F

A

A

H

H

G

G

F

F

N

N

I

I

H

H

Y

Y

N

G

Q

Q

I

I

I

V

P

V

P

P

S

K

Y

G

V

V

D

D

V

V

V

I

L

M

V

I

A

A

P
|
P

K

K

S

A

P

P

G

G

H

H

L

T

V

V

R

R

R

N

M

E

F

F

E

T

E

L

G

G

K

G

G

G

V

T

P

P

A

C

L

L

V

I

A

A

V

I

H

H

Q

Q

D

D

Y

E

S

S

G

K

K

N

A

A

L

K

D

N

Y

L

A

A

L

L

A

S

Y

Y

A

A

K

S

G

A

L

I

G

G

C

G

T

G

R

R

A

T

G

G

V

I

I

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

V

A

D

V

L

L

C

C

G

G

V

L

A

S

E

A

L

L

I

I

K

Q

A

A

T

G

F

F

E

E

I

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

A

C

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

Q

G

G

I

I

Y

A

A

D

M

M

W

R

Y

Y

S

S

V

I

S

S

D

N

T

T

A

A

K

E

Y

Y

G

G

G

D

M

Y

T

I

R

T

G

G

K

P

R

K

I

I

N

T

E

E

R

E

V

T

K

K

E

K

E

A

M

M

R

K

K

G

I

V

L

L

K

K

E

D

I

I

Q

Q

T

N

G

G

E

V

F

F

A

A

R

K

E

D

W

F

I

I

L

L

E

E

N

R

M

R

A

A

G

G

R

F

P

A

S

R

F

M

Y

H

K

A

L

E

L

R

E

K

M

N

E

M

R

N

N

D

H

S

P

L

I

I

E

E

K

K

V

T

G

G

K

R

E

N

L

L

R

R

K

A

M

M

P

P

W

W

I

I

binding magnesium ion: D190 (= D191), E194 (= E195)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G23 (= G24), F24 (≠ Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), S50 (= S51), S52 (= S53), L79 (= L80), A80 (≠ I81), P81 (= P82), D82 (= D83), P129 (= P130)
binding 3-hydroxy-3-methyl-2-oxobutanoic acid: D190 (= D191), E194 (= E195)

7rduA Crystal structure of campylobacter jejuni keto said reductoisomerase in complex with magnesium and oxidixized and reduced NADPH
56% identity, 98% coverage: 4:329/334 of query aligns to 4:329/329 of 7rduA

query
sites
7rduA

I

V

Y

Y

D

D

K

K

D

D

A

C

K

D

L

L

E

N

H

L

L

I

K

K

D

S

R

K

K

K

V

V

A

A

V

I

I

I

G
|
G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

M

N

N

L

L

R

R

D

D

S

N

G

G

V

V

D

N

V

V

I

T

V

I

G

G

L

L

Y
x
R

R

E

G

G

S
|
S

K

V

S
|
S

W

A

K

V

K

K

A

A

E

K

K

N

D

A

G

G

F

F

E

E

V

V

Y

M

E

S

V

V

S

S

E

E

A

A

V

S

K

K

K

I

S

A

D

D

F

V

V

I

S

M

M

I

L
|
L

I
x
A

P
|
P

D
|
D

T

E

V

I

Q

Q

P

A

A

D

V
x
I

Y

F

N

N

K

V

Y

E

I

I

R

K

D

P

N

N

L

L

K

S

E

E

G

G

S

K

V

A

L

I

L

A

F

F

A
|
A

H
|
H

G

G

F

F

N

N

I

I

H

H

Y

Y

N

G

Q

Q

I

I

I

V

P

V

P

P

S

K

Y

G

V

V

D

D

V

V

V

I

L

M

V

I

A

A

P
|
P

K
|
K

S
x
A

P

P

G

G

H

H

L

T

V

V

R

R

R

N

M

E

F

F

E

T

E

L

G

G

K

G

G

G

V

T

P

P

A

C

L

L

V

I

A

A

V

I

H

H

Q

Q

D

D

Y

E

S

S

G

K

K

N

A

A

L

K

D

N

Y

L

A

A

L

L

A

S

Y

Y

A

A

K

S

G

A

L

I

G

G

C

G

T

G

R

R

A

T

G

G

V

I

I

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

V

A

D

V

L

L

C

C

G

G

V

L

A

S

E

A

L

L

I

I

K

Q

A

A

T

G

F

F

E

E

I

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

A

C

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

Q

G

G

I

I

Y

A

A

D

M

M

W

R

Y

Y

S

S

V

I

S

S

D

N

T

T

A

A

K

E

Y

Y

G

G

G

D

M

Y

T

I

R

T

G

G

K

P

R

K

I

I

N

T

E

E

R

E

V

T

K

K

E

K

E

A

M

M

R

K

K

G

I

V

L

L

K

K

E

D

I

I

Q

Q

T

N

G

G

E

V

F

F

A

A

R

K

E

D

W

F

I

I

L

L

E

E

N

R

M

R

A

A

G

G

R

F

P

A

S

R

F

M

Y

H

K

A

L

E

L

R

E

K

M

N

E

M

R

N

N

D

H

S

P

L

I

I

E

E

K

K

V

T

G

G

K

R

E

N

L

L

R

R

K

A

M

M

P

P

W

W

I

I

K

S

binding nadp nicotinamide-adenine-dinucleotide phosphate: G24 (= G24), G26 (= G26), S27 (= S27), Q28 (= Q28), R48 (≠ Y48), S51 (= S51), S53 (= S53), A81 (≠ I81), P82 (= P82), D83 (= D83), I89 (≠ V89), A107 (= A107), H108 (= H108), P130 (= P130), K131 (= K131), A132 (≠ S132)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G24 (= G24), F25 (≠ Y25), G26 (= G26), S27 (= S27), Q28 (= Q28), S51 (= S51), S53 (= S53), L80 (= L80), P82 (= P82), D83 (= D83), I89 (≠ V89), A107 (= A107), H108 (= H108)

5e4rA Crystal structure of domain-duplicated synthetic class ii ketol-acid reductoisomerase 2ia_kari-dd (see paper)
58% identity, 97% coverage: 2:325/334 of query aligns to 1:324/466 of 5e4rA

query
sites
5e4rA

A

A

K

K

I

I

Y

Y

Y

K

D

D

K

E

D

D

A

I

K

S

L

L

E

E

H

P

L

I

K

K

D

N

R

K

K

T

V

I

A

A

V

I

I

L

G

G

Y

Y

G
|
G

S
|
S

Q
|
Q

G

G

H

R

A

A

H

W

A

A

L

L

N

N

L

L

R

R

D

D

S

S

G

G

V

L

D

N

V

V

I

V

V

V

G

G

L

L

Y

E

R

R

G

Q

S

G

K

D

S
|
S

W

W

K

R

A

A

E

I

K

D

D

D

G

G

F

F

E

K

V

P

Y

M

E

Y

V

T

S

K

E

D

A

A

V

V

K

A

K

I

S

A

D

D

F

I

V

I

S

V

M

F

L
|
L

I
x
V

P
|
P

D
|
D

T

M

V
|
V

Q

Q

P

K

A

S

V

L

Y

W

N

L

K

N

Y

S

I

V

R

K

D

D

N

F

L

M

K

K

E

K

G

G

S

A

V

D

L

L

L

V

F

F

A
|
A

H
|
H

G

G

F

F

N

N

I

I

H

H

Y

F

N

K

Q

I

I

I

I

E

P

P

S

K

Y

D

V

S

D

D

V

V

V

Y

L

M

V

I

A

A

P

P

K
|
K

S

S

P
|
P

G

G

H

P

L

I

V

V

R

R

M

S

F

Y

E

E

E

M

G

G

K

G

G

G

V

V

P

P

A

A

L

L

V

V

A

A

V

V

H

Y

Q

Q

D

N

Y

V

S

S

G

G

K

E

A

A

L

L

D

Q

Y

K

A

A

L

L

A

A

Y

I

A

A

K

K

G

G

L

I

G

G

C

C

T

A

R

R

A

A

G

G

V

V

I

I

E

E

T

S

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

V

V

D

I

L

L

C

V

G

G

V

I

A

M

E

E

L

L

I

I

K

K

A

A

T

S

F

F

E

E

I

T

L

L

V

V

E

E

A

E

G

G

Y

Y

Q

Q

P

P

E

E

V

V

A

A

Y

Y

F

F

E

E

A

T

L

V

H

N

E

E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

E

G

K

G

G

I

L

Y

T

A

G

M

M

W

L

Y

R

S

A

V

V

S

S

D

D

T

T

A

A

K

K

Y

Y

G

G

M

I

T

T

R

V

G

G

K

K

R

F

I

I

N

D

E

K

R

S

V

V

K

R

E

D

E

K

M

M

R

K

K

I

I

V

L

L

K

E

E

R

I

I

Q

R

T

S

G

G

E

E

F

F

A

A

R

R

E

E

W

W

I

I

L

K

E

E

N

Y

M

E

A

R

G

G

R

M

P

P

S

T

F

V

Y

F

K

K

L

E

L

L

E

S

M

E

E

L

R

E

N

G

H

S

P

T

I

I

E

E

K

T

V

V

G

G

K

R

E

K

L

L

R

R

K

E

M

M

active site: K130 (= K131), D190 (= D191), E194 (= E195)
binding oxo(propan-2-ylamino)acetic acid: P132 (= P133), D190 (= D191), E194 (= E195)
binding magnesium ion: D190 (= D191), E194 (= E195)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G25 (= G26), S26 (= S27), Q27 (= Q28), S52 (= S53), L79 (= L80), V80 (≠ I81), P81 (= P82), D82 (= D83), V84 (= V85), A106 (= A107), H107 (= H108), P132 (= P133)

Sites not aligning to the query:

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, 98% coverage: 3:328/334 of query aligns to 2:327/338 of C1DFH7

query
sites
C1DFH7

K

K

I

V

Y

Y

D

D

K

K

D

D

A

C

K

D

L

L

E

S

H

I

L

I

K

Q

D

S

R

K

K

K

V

V

A

A

V

I

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

L

C

N

N

L

L

R

K

D

D

S

S

G

G

V

V

D

D

V

V

I

Y

V

V

G

G

L

L

Y

R

R

A

G

G

S

S

K

A

S

S

W

V

K

A

K

K

A

A

E

E

K

A

D

H

G

G

F

L

E

T

V

V

Y

K

E

S

V

V

S

K

E

D

A

A

V

V

K

A

S

A

D

D

F

V

V

V

S

M

M

I

L

L

I

T

P

P

D

D

T

E

V

F

Q

Q

P

G

A

R

V

L

Y

Y

N

K

K

D

Y

E

I

I

R

E

D

P

N

N

L

L

K

K

E

K

G

G

S

A

V

T

L

L

L

A

F

F

A

A

H

H

G

G

F

F

N

S

I

I

H

H

Y

Y

N

N

Q

Q

I

V

P

P

P

R

S

A

Y

D

V

L

D

D

V

V

V

I

L

M

V

I

A

A

P

P

K

K

S

A

P

P

G

G

H

H

L

T

V

V

R

R

R

S

M

E

F

F

E

V

E

R

G

G

K

G

G

G

V

I

P

P

A

D

L

L

V

I

A

A

V

V

H

Y

Q

Q

D

D

Y

A

S

S

G

G

K

N

A

A

L

K

D

N

Y

L

A

A

L

L

A

S

Y

Y

A

A

K

C

G

G

L

V

G

G

C

G

T

G

R

R

A

T

G

G

V

I

I

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

V

A

D

V

L

L

C

C

G

G

V

C

A

V

E

E

L

L

I

V

K

K

A

A

T

G

F

F

E

E

I

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

A

C

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

F

E

E

G

G

I

I

Y

A

A

N

M

M

W

N

Y

Y

S

S

V

I

S

S

D

N

T

N

A

A

K

E

Y

Y

G

G

G

E

M

Y

T

V

R

T

G

G

K

P

R

E

I

V

I

I

N

N

E

E

R

Q

V

S

K

R

E

Q

E

A

M

M

R

R

K

N

I

A

L

L

K

K

E

R

I

I

Q

Q

T

D

G

G

E

E

F

Y

A

A

R

K

E

M

W

F

I

I

L

T

E

E

N

G

M

A

A

A

G

N

R

Y

P

P

S

S

F

M

Y

T

K

A

L

Y

L

R

E

R

M

N

E

N

R

A

N

A

H

H

P

Q

I

I

E

E

K

V

V

V

G

G

K

E

E

K

L

L

R

R

K

T

M

M

P

P

W

W

I

I

D190 (= D191) binding
E226 (= E227) binding
E230 (= E231) binding

4xiyA Crystal structure of ketol-acid reductoisomerase from azotobacter (see paper)
57% identity, 98% coverage: 3:328/334 of query aligns to 2:327/328 of 4xiyA

query
sites
4xiyA

K

K

I

V

Y

Y

D

D

K

K

D

D

A

C

K

D

L

L

E

S

H

I

L

I

K

Q

D

S

R

K

K

K

V

V

A

A

V

I

I

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

L

C

N

N

L

L

R

K

D

D

S

S

G

G

V

V

D

D

V

V

I

Y

V

V

G

G

L

L

Y

R

R

A

G

G

S

S

K

A

S

S

W

V

K

A

K

K

A

A

E

E

K

A

D

H

G

G

F

L

E

T

V

V

Y

K

E

S

V

V

S

K

E

D

A

A

V

V

K

A

S

A

D

D

F

V

V

V

S

M

M

I

L

L

I

T

P

P

D

D

T

E

V

F

Q

Q

P

G

A

R

V

L

Y

Y

N

K

K

D

Y

E

I

I

R

E

D

P

N

N

L

L

K

K

E

K

G

G

S

A

V

T

L

L

L

A

F

F

A

A

H

H

G

G

F

F

N

S

I

I

H

H

Y

Y

N

N

Q

Q

I

V

P

P

P

R

S

A

Y

D

V

L

D

D

V

V

V

I

L

M

V

I

A

A

P

P

K
|
K

S

A

P

P

G

G

H

H

L

T

V

V

R

R

R

S

M

E

F

F

E

V

E

R

G

G

K

G

G

G

V

I

P

P

A

D

L

L

V

I

A

A

V

V

H

Y

Q

Q

D

D

Y

A

S

S

G

G

K

N

A

A

L

K

D

N

Y

L

A

A

L

L

A

S

Y

Y

A

A

K

C

G

G

L

V

G

G

C

G

T

G

R

R

A

T

G

G

V

I

I

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

V

A

D

V

L

L

C

C

G

G

V

C

A

V

E

E

L

L

I

V

K

K

A

A

T

G

F

F

E

E

I

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

A

C

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

F

E

E

G

G

I

I

Y

A

A

N

M

M

W

N

Y

Y

S

S

V

I

S

S

D

N

T

N

A

A

K

E

Y

Y

G

G

G

E

M

Y

T

V

R

T

G

G

K

P

R

E

I

V

I

I

N

N

E

E

R

Q

V

S

K

R

E

Q

E

A

M

M

R

R

K

N

I

A

L

L

K

K

E

R

I

I

Q

Q

T

D

G

G

E

E

F

Y

A

A

R

K

E

M

W

F

I

I

L

T

E

E

N

G

M

A

A

A

G

N

R

Y

P

P

S

S

F

M

Y

T

K

A

L

Y

L

R

E

R

M

N

E

N

R

A

N

A

H

H

P

Q

I

I

E

E

K

V

V

V

G

G

K

E

E

K

L

L

R

R

K

T

M

M

P

P

W

W

I

I

active site: K130 (= K131), D190 (= D191), E194 (= E195)
binding fe (iii) ion: D190 (= D191), E194 (= E195)
binding magnesium ion: E226 (= E227), E230 (= E231)

4xdzA Holo structure of ketol-acid reductoisomerase from ignisphaera aggregans (see paper)
58% identity, 97% coverage: 2:325/334 of query aligns to 1:324/328 of 4xdzA

query
sites
4xdzA

A

A

K

K

I

I

Y

Y

Y

K

D

D

K

E

D

D

A

I

K

S

L

L

E

E

H

P

L

I

K

K

D

N

R

K

K

T

V

I

A

A

V

I

I

L

G
|
G

Y

Y

G
|
G

S
|
S

Q
|
Q

G

G

H

R

A

A

H

W

A

A

L

L

N

N

L

L

R

R

D

D

S

S

G

G

V

L

D

N

V

V

I

V

V

V

G

G

L

L

Y
x
E

R
|
R

G

Q

S

G

K

D

S
|
S

W

W

K

R

A

A

E

I

K

D

D

D

G

G

F

F

E

K

V

P

Y

M

E

Y

V

T

S

K

E

D

A

A

V

V

K

A

K

I

S

A

D

D

F

I

V

I

S

V

M

F

L
|
L

I
x
V

P
|
P

D
|
D

T

M

V
|
V

Q

Q

P

K

A

S

V

L

Y

W

N

L

K

N

Y

S

I

V

R

K

D

D

N

F

L

M

K

K

E

K

G

G

S

A

V

D

L

L

L

V

F

F

A
|
A

H
|
H

G

G

F

F

N

N

I

I

H

H

Y

F

N

K

Q

I

I

I

I

E

P

P

S

K

Y

D

V

S

D

D

V

V

V

Y

L

M

V

I

A

A

P

P

K
|
K

S

S

P
|
P

G

G

H

P

L

I

V

V

R

R

M

S

F

Y

E

E

E

M

G

G

K

G

G

G

V

V

P

P

A

A

L

L

V

V

A

A

V

V

H

Y

Q

Q

D

N

Y

V

S

S

G

G

K

E

A

A

L

L

D

Q

Y

K

A

A

L

L

A

A

Y

I

A

A

K

K

G

G

L

I

G

G

C

C

T

A

R

R

A

A

G

G

V

V

I

I

E

E

T

S

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

V

V

D

I

L
|
L

C

V

G

G

V

I

A

M

E

E

L

L

I

I

K

K

A

A

T

S

F

F

E

E

I

T

L

L

V

V

E

E

A

E

G

G

Y

Y

Q

Q

P

P

E

E

V

V

A

A

Y

Y

F

F

E

E

A

T

L

V

H

N

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

E

G

K

G

G

I

L

Y

T

A

G

M

M

W

L

Y

R

S

A

V
|
V

S
|
S

D

D

T

T

A
|
A

K

K

Y

Y

G

G

M

I

T

T

R

V

G

G

K

K

R

F

I

I

N

D

E

K

R

S

V

V

K

R

E

D

E

K

M

M

R

K

K

I

I

V

L

L

K

E

E

R

I

I

Q

R

T

S

G

G

E

E

F

F

A

A

R

R

E

E

W

W

I

I

L

K

E

E

N

Y

M

E

A

R

G

G

R

M

P

P

S

T

F

V

Y

F

K

K

L

E

L

L

E

S

M

E

E

L

R

E

N

G

H

S

P

T

I

I

E

E

K

T

V

V

G

G

K

R

E

K

L

L

R

R

K

E

M

M

active site: K130 (= K131), D190 (= D191), E194 (= E195)
binding oxo(propan-2-ylamino)acetic acid: P132 (= P133), D190 (= D191), E194 (= E195), L198 (= L199), E230 (= E231), V250 (= V251), S251 (= S252), A254 (= A255)
binding magnesium ion: D190 (= D191), E194 (= E195)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G23 (= G24), G25 (= G26), S26 (= S27), Q27 (= Q28), E47 (≠ Y48), R48 (= R49), S52 (= S53), L79 (= L80), V80 (≠ I81), P81 (= P82), D82 (= D83), V84 (= V85), A106 (= A107), H107 (= H108), P132 (= P133)

8swmA Crystal structure of campylobacter jejuni ketol-acid reductoisomerase in complex with 2-acetolactate
56% identity, 97% coverage: 5:327/334 of query aligns to 1:323/323 of 8swmA

query
sites
8swmA

Y

Y

D

D

K

K

D

D

A

C

K

D

L

L

E

N

H

L

L

I

K

K

D

S

R

K

K

K

V

V

A

A

V

I

I

I

G

G

Y

F

G

G

S

S

Q

Q

G

G

H

H

A

A

H

H

A

A

L

M

N

N

L

L

R

R

D

D

S

N

G

G

V

V

D

N

V

V

I

T

V

I

G

G

L

L

Y

R

R

E

G

G

S

S

K

V

S

S

W

A

K

V

K

K

A

A

E

K

K

N

D

A

G

G

F

F

E

E

V

V

Y

M

E

S

V

V

S

S

E

E

A

A

V

S

K

K

K

I

S

A

D

D

F

V

V

I

S

M

M

I

L

L

I

A

P

P

D

D

T

E

V

I

Q

Q

P

A

A

D

V

I

Y

F

N

N

K

V

Y

E

I

I

R

K

D

P

N

N

L

L

K

S

E

E

G

G

S

K

V

A

L

I

L

A

F

F

A

A

H

H

G

G

F

F

N

N

I

I

H

H

Y

Y

N

G

Q

Q

I

I

I

V

P

V

P

P

S

K

Y

G

V

V

D

D

V

V

V

I

L

M

V

I

A

A

P

P

K

K

S

A

P

P

G

G

H

H

L

T

V

V

R

R

R

N

M

E

F

F

E

T

E

L

G

G

K

G

G

G

V

T

P

P

A

C

L

L

V

I

A

A

V

I

H

H

Q

Q

D

D

Y

E

S

S

G

K

K

N

A

A

L

K

D

N

Y

L

A

A

L

L

A

S

Y

Y

A

A

K

S

G

A

L

I

G

G

C

G

T

G

R

R

A

T

G

G

V

I

I

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

V

A

D

V

L

L

C

C

G

G

V

L

A

S

E

A

L

L

I

I

K

Q

A

A

T

G

F

F

E

E

I

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

A

C

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

I

I

Y

Y

E

Q

G

G

I

I

Y

A

A

D

M

M

W

R

Y

Y

S

S

V

I

S

S

D

N

T

T

A

A

K

E

Y

Y

G

G

G

D

M

Y

T

I

R

T

G

G

K

P

R

K

I

I

N

T

E

E

R

E

V

T

K

K

E

K

E

A

M

M

R

K

K

G

I

V

L

L

K

K

E

D

I

I

Q

Q

T

N

G

G

E

V

F

F

A

A

R

K

E

D

W

F

I

I

L

L

E

E

N

R

M

R

A

A

G

G

R

F

P

A

S

R

F

M

Y

H

K

A

L

E

L

R

E

K

M

N

E

M

R

N

N

D

H

S

P

L

I

I

E

E

K

K

V

T

G

G

K

R

E

N

L

L

R

R

K

A

M

M

P

P

W

W

binding magnesium ion: D187 (= D191), E191 (= E195)
binding (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid: D187 (= D191), E191 (= E195)

6bulB Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 2
59% identity, 98% coverage: 4:329/334 of query aligns to 3:327/327 of 6bulB

query
sites
6bulB

I

V

Y

Y

D

D

K

Q

D

D

A

V

K

K

L

T

E

D

H

A

L

L

K

Q

D

G

R

K

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

Q

N

N

L

L

R

K

D

D

S

N

G

G

V

Y

D

D

V

V

I

V

V

I

G

G

L
x
I

Y

-

R
|
R

G

P

S

G

K

R

S
|
S

W

F

K

D

K

K

A

A

E

K

K

E

D

D

G

G

F

F

E

D

V

V

Y

F

E

P

V

V

S

A

E

E

A

A

V

V

K

K

K

Q

S

A

D

D

F

V

V

I

S

M

M

V

L
|
L

I
x
L

P
|
P

D
|
D

T

E

V

I

Q

Q

P

G

A

D

V

V

Y

Y

N

K

K

N

Y

E

I

I

R

E

D

P

N

N

L

L

K

E

E

K

G

H

S

N

V

A

L

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

H

H

Y

F

N

G

Q

V

I

I

I

Q

P

P

S

A

Y

D

V

V

D

D

V

V

V

F

L

L

V

V

A

A

P

P

K
|
K

S

G

P
|
P

G

G

H

H

L

L

V

V

R

R

M

T

F

F

E

V

E

E

G

G

K

S

G

A

V

V

P

P

A

S

L

L

V

F

A

G

V

I

H

Q

Q

Q

D

D

Y

A

S

S

G

G

K

Q

A

A

L

R

D

N

Y

I

A

A

L

L

A

S

Y

Y

A

A

K

K

G

G

L

I

G

G

C

A

T

T

R

R

A

A

G

G

V

V

I

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

V

A

D

V

L

L

C

C

G

G

V

V

A

S

E

K

L

L

I

I

K

Q

A

S

T

G

F

F

E

E

I

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

A

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I
|
I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

M

Y

E

A

N

M

V

W

R

Y

Y

S
|
S

V
x
I

S
|
S

D

N

T

T

A
|
A

K

E

Y

F

G

G

G

D

M

Y

T

V

R

S

G

G

K

P

R

R

I

V

I

I

N

T

E

P

R

D

V

V

K

K

E

E

E

N

M

M

R

K

K

A

I

V

L

L

K

T

E

D

I

I

Q

Q

T

N

G

G

E

N

F

F

A

S

R

N

E

R

W

F

I

I

L

E

E

D

N

N

M

K

A

N

G

G

R

F

P

K

S

E

F

F

Y

Y

K

K

L

L

L

R

E

E

M

E

E

Q

R

H

N

G

H

H

P

Q

I

I

E

E

K

K

V

V

G

G

K

R

E

E

L

L

R

R

K

E

M

M

P

P

W

F

I

I

K

K

active site: K129 (= K131), D189 (= D191), E193 (= E195)
binding {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid: P131 (= P133), D189 (= D191), E193 (= E195), E229 (= E231), I233 (= I235), I249 (≠ V251), S250 (= S252), A253 (= A255)
binding oxo{[(1S)-1-phenylethyl]amino}acetic acid: P131 (= P133), D189 (= D191), E193 (= E195), E229 (= E231), I233 (= I235), I249 (≠ V251), S250 (= S252), A253 (= A255)
binding magnesium ion: D189 (= D191), E193 (= E195)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), I46 (≠ L47), R47 (= R49), S51 (= S53), L78 (= L80), L79 (≠ I81), P80 (= P82), D81 (= D83), H106 (= H108), P131 (= P133), S248 (= S250), I249 (≠ V251), S250 (= S252)

6vo2A Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex with mg, NADPH and inhibitor. (see paper)
58% identity, 97% coverage: 4:328/334 of query aligns to 3:326/326 of 6vo2A

query
sites
6vo2A

I

V

Y

Y

D

D

K

Q

D

D

A

V

K

K

L

T

E

D

H

A

L

L

K

Q

D

G

R

K

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

Q

N

N

L

L

R

K

D

D

S

N

G

G

V

Y

D

D

V

V

I

V

V

I

G

G

L
x
I

Y

-

R
|
R

G

P

S

G

K

R

S
|
S

W

F

K

D

K

K

A

A

E

K

K

E

D

D

G

G

F

F

E

D

V

V

Y

F

E

P

V

V

S

A

E

E

A

A

V

V

K

K

K

Q

S

A

D

D

F

V

V

I

S

M

M

V

L
|
L

I
x
L

P
|
P

D
|
D

T

E

V

I

Q

Q

P

G

A

D

V

V

Y

Y

N

K

K

N

Y

E

I

I

R

E

D

P

N

N

L

L

K

E

E

K

G

H

S

N

V

A

L

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

H

H

Y

F

N

G

Q

V

I

I

I

Q

P

P

S

A

Y

D

V

V

D

D

V

V

V

F

L

L

V

V

A

A

P

P

K

K

S
x
G

P
|
P

G

G

H

H

L

L

V

V

R

R

M

T

F

F

E

V

E

E

G

G

K

S

G

A

V

V

P

P

A

S

L

L

V

F

A

G

V

I

H

Q

Q

Q

D

D

Y

A

S

S

G

G

K

Q

A

A

L

R

D

N

Y

I

A

A

L

L

A

S

Y

Y

A

A

K

K

G

G

L

I

G

G

C

A

T

T

R

R

A

A

G

G

V

V

I

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

V

A

D

V

L

L

C

C

G

G

V

V

A

S

E

K

L

L

I

I

K

Q

A

S

T

G

F

F

E

E

I

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

A

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

M

Y

E

A

N

M

V

W

R

Y

Y

S

S

V
x
I

S
|
S

D

N

T

T

A
|
A

K

E

Y

F

G

G

G

D

M

Y

T

V

R

S

G

G

K

P

R

R

I

V

I

I

N

T

E

P

R

D

V

V

K

K

E

E

E

N

M

M

R

K

K

A

I

V

L

L

K

T

E

D

I

I

Q

Q

T

N

G

G

E

N

F

F

A

S

R

N

E

R

W

F

I

I

L

E

E

D

N

N

M

K

A

N

G

G

R

F

P

K

S

E

F

F

Y

Y

K

K

L

L

L

R

E

E

M

E

E

Q

R

H

N

G

H

H

P

Q

I

I

E

E

K

K

V

V

G

G

K

R

E

E

L

L

R

R

K

E

M

M

P

P

W

F

I

I

binding magnesium ion: D189 (= D191), E193 (= E195)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), I46 (≠ L47), R47 (= R49), S51 (= S53), L78 (= L80), L79 (≠ I81), P80 (= P82), D81 (= D83), H106 (= H108), P131 (= P133), I249 (≠ V251), S250 (= S252)
binding 3-(methylsulfonyl)-2-oxopropanoic acid: G130 (≠ S132), P131 (= P133), D189 (= D191), E193 (= E195), E229 (= E231), I249 (≠ V251), S250 (= S252), A253 (= A255)

6c5nA Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1
58% identity, 97% coverage: 4:328/334 of query aligns to 3:326/326 of 6c5nA

query
sites
6c5nA

I

V

Y

Y

D

D

K

Q

D

D

A

V

K

K

L

T

E

D

H

A

L

L

K

Q

D

G

R

K

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

Q

N

N

L

L

R

K

D

D

S

N

G

G

V

Y

D

D

V

V

I

V

V

I

G

G

L
x
I

Y

-

R
|
R

G

P

S

G

K

R

S
|
S

W

F

K

D

K

K

A

A

E

K

K

E

D

D

G

G

F

F

E

D

V

V

Y

F

E

P

V

V

S

A

E

E

A

A

V

V

K

K

K

Q

S

A

D

D

F

V

V

I

S

M

M

V

L
|
L

I
x
L

P
|
P

D
|
D

T

E

V

I

Q

Q

P

G

A

D

V

V

Y

Y

N

K

K

N

Y

E

I

I

R

E

D

P

N

N

L

L

K

E

E

K

G

H

S

N

V

A

L

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

H

H

Y

F

N

G

Q

V

I

I

I

Q

P

P

S

A

Y

D

V

V

D

D

V

V

V

F

L

L

V

V

A

A

P

P

K
|
K

S

G

P
|
P

G

G

H

H

L

L

V

V

R

R

M

T

F

F

E

V

E

E

G

G

K

S

G

A

V

V

P

P

A

S

L

L

V

F

A

G

V

I

H

Q

Q

Q

D

D

Y

A

S

S

G

G

K

Q

A

A

L

R

D

N

Y

I

A

A

L

L

A

S

Y

Y

A

A

K

K

G

G

L

I

G

G

C

A

T

T

R

R

A

A

G

G

V

V

I

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

V

A

D

V

L

L

C
|
C

G

G

V

V

A

S

E

K

L

L

I

I

K

Q

A

S

T

G

F

F

E

E

I

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

A

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I
|
I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

M

Y

E

A

N

M

V

W

R

Y

Y

S
|
S

V
x
I

S
|
S

D

N

T

T

A
|
A

K

E

Y

F

G

G

G

D

M

Y

T

V

R

S

G

G

K

P

R

R

I

V

I

I

N

T

E

P

R

D

V

V

K

K

E

E

E

N

M

M

R

K

K

A

I

V

L

L

K

T

E

D

I

I

Q

Q

T

N

G

G

E

N

F

F

A

S

R

N

E

R

W

F

I

I

L

E

E

D

N

N

M

K

A

N

G

G

R

F

P

K

S

E

F

F

Y

Y

K

K

L

L

L

R

E

E

M

E

E

Q

R

H

N

G

H

H

P

Q

I

I

E

E

K

K

V

V

G

G

K

R

E

E

L

L

R

R

K

E

M

M

P

P

W

F

I

I

active site: K129 (= K131), D189 (= D191), E193 (= E195)
binding (cyclopentylamino)(oxo)acetic acid: P131 (= P133), D189 (= D191), E193 (= E195), C198 (= C200), E229 (= E231), I233 (= I235), I249 (≠ V251), S250 (= S252), A253 (= A255)
binding [cyclopentyl(hydroxy)amino](oxo)acetic acid: P131 (= P133), D189 (= D191), E193 (= E195), C198 (= C200), E229 (= E231), I249 (≠ V251), S250 (= S252), A253 (= A255)
binding magnesium ion: D189 (= D191), E193 (= E195)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), I46 (≠ L47), R47 (= R49), S51 (= S53), L78 (= L80), L79 (≠ I81), P80 (= P82), D81 (= D83), H106 (= H108), P131 (= P133), S248 (= S250), I249 (≠ V251), S250 (= S252)

6c55A Crystal structure of staphylococcus aureus ketol-acid reductosimerrase with hydroxyoxamate inhibitor 3
58% identity, 97% coverage: 4:328/334 of query aligns to 3:326/326 of 6c55A

query
sites
6c55A

I

V

Y

Y

D

D

K

Q

D

D

A

V

K

K

L

T

E

D

H

A

L

L

K

Q

D

G

R

K

K

K

V

I

A

A

V

V

I

V

G

G

Y

Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

Q

N

N

L

L

R

K

D

D

S

N

G

G

V

Y

D

D

V

V

I

V

V

I

G

G

L
x
I

Y

-

R
|
R

G

P

S

G

K

R

S
|
S

W

F

K

D

K

K

A

A

E

K

K

E

D

D

G

G

F

F

E

D

V

V

Y

F

E

P

V

V

S

A

E

E

A

A

V

V

K

K

K

Q

S

A

D

D

F

V

V

I

S

M

M

V

L

L

I
x
L

P
|
P

D
|
D

T

E

V
x
I

Q

Q

P

G

A

D

V

V

Y

Y

N

K

K

N

Y

E

I

I

R

E

D

P

N

N

L

L

K

E

E

K

G

H

S

N

V

A

L

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

H

H

Y

F

N

G

Q

V

I

I

I

Q

P

P

S

A

Y

D

V

V

D

D

V

V

V

F

L

L

V

V

A

A

P

P

K
|
K

S

G

P
|
P

G

G

H

H

L

L

V

V

R

R

M

T

F

F

E

V

E

E

G

G

K

S

G

A

V

V

P

P

A

S

L

L

V

F

A

G

V

I

H

Q

Q

Q

D

D

Y

A

S

S

G

G

K

Q

A

A

L

R

D

N

Y

I

A

A

L

L

A

S

Y

Y

A

A

K

K

G

G

L

I

G

G

C

A

T

T

R

R

A

A

G

G

V

V

I

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

V

A

D

V

L

L

C
|
C

G

G

V

V

A

S

E

K

L

L

I

I

K

Q

A

S

T

G

F

F

E

E

I

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

A

V

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

M

Y

E

A

N

M

V

W

R

Y

Y

S
|
S

V
x
I

S
|
S

D

N

T

T

A
|
A

K

E

Y

F

G

G

G

D

M

Y

T

V

R

S

G

G

K

P

R

R

I

V

I

I

N

T

E

P

R

D

V

V

K

K

E

E

E

N

M

M

R

K

K

A

I

V

L

L

K

T

E

D

I

I

Q

Q

T

N

G

G

E

N

F

F

A

S

R

N

E

R

W

F

I

I

L

E

E

D

N

N

M

K

A

N

G

G

R

F

P

K

S

E

F

F

Y

Y

K

K

L

L

L

R

E

E

M

E

E

Q

R

H

N

G

H

H

P

Q

I

I

E

E

K

K

V

V

G

G

K

R

E

E

L

L

R

R

K

E

M

M

P

P

W

F

I

I

active site: K129 (= K131), D189 (= D191), E193 (= E195)
binding [cyclohexyl(hydroxy)amino](oxo)acetic acid: P131 (= P133), D189 (= D191), E193 (= E195), C198 (= C200)
binding (cyclohexylamino)(oxo)acetic acid: P131 (= P133), D189 (= D191), E193 (= E195), C198 (= C200), I249 (≠ V251), S250 (= S252), A253 (= A255)
binding magnesium ion: D189 (= D191), E193 (= E195)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G25 (= G26), S26 (= S27), Q27 (= Q28), I46 (≠ L47), R47 (= R49), S51 (= S53), L79 (≠ I81), P80 (= P82), D81 (= D83), I83 (≠ V85), H106 (= H108), S248 (= S250), S250 (= S252)

6aqjA Crystal structures of staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity. (see paper)
58% identity, 97% coverage: 4:328/334 of query aligns to 3:326/326 of 6aqjA

query
sites
6aqjA

I

V

Y

Y

D

D

K

Q

D

D

A

V

K

K

L

T

E

D

H

A

L

L

K

Q

D

G

R

K

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

Q

N

N

L

L

R

K

D

D

S

N

G

G

V

Y

D

D

V

V

I

V

V

I

G

G

L
x
I

Y

-

R
|
R

G

P

S

G

K

R

S
|
S

W

F

K

D

K

K

A

A

E

K

K

E

D

D

G

G

F

F

E

D

V

V

Y

F

E

P

V

V

S

A

E

E

A

A

V

V

K

K

K

Q

S

A

D

D

F

V

V

I

S

M

M

V

L
|
L

I
x
L

P
|
P

D
|
D

T

E

V

I

Q

Q

P

G

A

D

V

V

Y

Y

N

K

K

N

Y

E

I

I

R

E

D

P

N

N

L

L

K

E

E

K

G

H

S

N

V

A

L

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

H

H

Y

F

N

G

Q

V

I

I

I

Q

P

P

S

A

Y

D

V

V

D

D

V

V

V

F

L

L

V

V

A

A

P

P

K
|
K

S

G

P
|
P

G

G

H

H

L

L

V

V

R

R

M

T

F

F

E

V

E

E

G

G

K

S

G

A

V

V

P

P

A

S

L

L

V

F

A

G

V

I

H

Q

Q

Q

D

D

Y

A

S

S

G

G

K

Q

A

A

L

R

D

N

Y

I

A

A

L

L

A

S

Y

Y

A

A

K

K

G

G

L

I

G

G

C

A

T

T

R

R

A

A

G

G

V

V

I

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

V

A

D

V

L

L

C

C

G

G

V

V

A

S

E

K

L

L

I

I

K

Q

A

S

T

G

F

F

E

E

I

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

A

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I
|
I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

M

Y

E

A

N

M

V

W

R

Y

Y

S

S

V
x
I

S
|
S

D

N

T

T

A
|
A

K

E

Y

F

G

G

G

D

M

Y

T

V

R

S

G

G

K

P

R

R

I

V

I

I

N

T

E

P

R

D

V

V

K

K

E

E

E

N

M

M

R

K

K

A

I

V

L

L

K

T

E

D

I

I

Q

Q

T

N

G

G

E

N

F

F

A

S

R

N

E

R

W

F

I

I

L

E

E

D

N

N

M

K

A

N

G

G

R

F

P

K

S

E

F

F

Y

Y

K

K

L

L

L

R

E

E

M

E

E

Q

R

H

N

G

H

H

P

Q

I

I

E

E

K

K

V

V

G

G

K

R

E

E

L

L

R

R

K

E

M

M

P

P

W

F

I

I

active site: K129 (= K131), D189 (= D191), E193 (= E195)
binding oxo(propan-2-ylamino)acetic acid: P131 (= P133), D189 (= D191), E193 (= E195), E229 (= E231), I233 (= I235), I249 (≠ V251), S250 (= S252), A253 (= A255)
binding n-hydroxy-n-isopropyloxamic acid: P131 (= P133), D189 (= D191), E193 (= E195), E229 (= E231), I249 (≠ V251), S250 (= S252), A253 (= A255)
binding magnesium ion: D189 (= D191), E193 (= E195)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), I46 (≠ L47), R47 (= R49), S51 (= S53), L78 (= L80), L79 (≠ I81), P80 (= P82), D81 (= D83), H106 (= H108), P131 (= P133), I249 (≠ V251), S250 (= S252)

5w3kA Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, mg2+ and cpd (see paper)
58% identity, 97% coverage: 4:328/334 of query aligns to 3:326/326 of 5w3kA

query
sites
5w3kA

I

V

Y

Y

D

D

K

Q

D

D

A

V

K

K

L

T

E

D

H

A

L

L

K

Q

D

G

R

K

K

K

V

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

H

H

A

A

H

H

A

A

L

Q

N

N

L

L

R

K

D

D

S

N

G

G

V

Y

D

D

V

V

I

V

V

I

G

G

L
x
I

Y

-

R
|
R

G

P

S

G

K

R

S
|
S

W

F

K

D

K

K

A

A

E

K

K

E

D

D

G

G

F

F

E

D

V

V

Y

F

E

P

V

V

S

A

E

E

A

A

V
|
V

K
|
K

K

Q

S
x
A

D

D

F

V

V

I

S

M

M

V

L
|
L

I
x
L

P
|
P

D
|
D

T

E

V

I

Q

Q

P

G

A

D

V

V

Y

Y

N

K

K

N

Y

E

I

I

R

E

D

P

N

N

L

L

K

E

E

K

G

H

S
x
N

V

A

L

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

I

I

H

H

Y

F

N

G

Q

V

I

I

I

Q

P

P

S

A

Y

D

V

V

D

D

V

V

V

F

L

L

V

V

A

A

P

P

K
|
K

S

G

P
|
P

G
|
G

H

H

L

L

V

V

R

R

M

T

F

F

E

V

E

E

G

G

K

S

G

A

V

V

P

P

A

S

L

L

V

F

A

G

V

I

H

Q

Q

Q

D

D

Y

A

S

S

G

G

K

Q

A

A

L

R

D

N

Y

I

A

A

L

L

A

S

Y

Y

A

A

K

K

G

G

L

I

G

G

C

A

T

T

R

R

A

A

G

G

V

V

I

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

V

A

D

V

L

L

C

C

G

G

V

V

A

S

E

K

L

L

I

I

K

Q

A

S

T

G

F

F

E

E

I

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

A

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

I

M

Y

Y

E

E

G

G

I

M

Y

E

A

N

M

V

W

R

Y

Y

S

S

V
x
I

S
|
S

D

N

T

T

A
|
A

K

E

Y

F

G

G

G

D

M

Y

T

V

R

S

G

G

K

P

R

R

I

V

I

I

N

T

E

P

R

D

V

V

K

K

E

E

E

N

M

M

R

K

K

A

I

V

L

L

K

T

E

D

I

I

Q

Q

T

N

G

G

E

N

F

F

A

S

R

N

E

R

W

F

I

I

L

E

E

D

N

N

M

K

A

N

G

G

R

F

P

K

S

E

F

F

Y

Y

K

K

L

L

L

R

E

E

M

E

E

Q

R

H

N

G

H

H

P

Q

I

I

E

E

K

K

V

V

G

G

K

R

E

E

L

L

R

R

K

E

M

M

P

P

W

F

I

I

active site: K129 (= K131), D189 (= D191), E193 (= E195)
binding cyclopropane-1,1-dicarboxylic acid: D189 (= D191), E193 (= E195), E229 (= E231), I249 (≠ V251), S250 (= S252), A253 (= A255)
binding magnesium ion: V69 (= V71), K70 (= K72), A72 (≠ S74), N100 (≠ S102), D189 (= D191), E193 (= E195)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y25), G25 (= G26), S26 (= S27), Q27 (= Q28), I46 (≠ L47), R47 (= R49), S51 (= S53), L78 (= L80), L79 (≠ I81), P80 (= P82), D81 (= D83), H106 (= H108), P131 (= P133), G132 (= G134), I249 (≠ V251), S250 (= S252)

Query Sequence

>WP_012964912.1 NCBI__GCF_000025505.1:WP_012964912.1
MAKIYYDKDAKLEHLKDRKVAVIGYGSQGHAHALNLRDSGVDVIVGLYRGSKSWKKAEKD
GFEVYEVSEAVKKSDFVSMLIPDTVQPAVYNKYIRDNLKEGSVLLFAHGFNIHYNQIIPP
SYVDVVLVAPKSPGHLVRRMFEEGKGVPALVAVHQDYSGKALDYALAYAKGLGCTRAGVI
ETTFKEETETDLFGEQVDLCGGVAELIKATFEILVEAGYQPEVAYFEALHELKLIVDLIY
EGGIYAMWYSVSDTAKYGGMTRGKRIINERVKEEMRKILKEIQTGEFAREWILENMAGRP
SFYKLLEMERNHPIEKVGKELRKMMPWIKGIDVD

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