SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing N515DRAFT_0568 FitnessBrowser__Dyella79:N515DRAFT_0568 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)
61% identity, 93% coverage: 10:325/339 of query aligns to 15:329/344 of C8WR67

query
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C8WR67

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YGSQ 25:28 (= YGSQ 20:23) binding
R48 (= R43) binding ; mutation to P: Inversion of the cofactor specificity from NADPH to NADH.
S52 (= S48) binding ; mutation to D: Inversion of the cofactor specificity from NADPH to NADH.
DERQ 82:85 (≠ DMVQ 78:81) binding
G133 (= G129) binding
D190 (= D186) binding
E194 (= E190) binding
E226 (= E222) binding

4tskA Ketol-acid reductoisomerase from alicyclobacillus acidocaldarius (see paper)
61% identity, 93% coverage: 10:325/339 of query aligns to 14:328/333 of 4tskA

query
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4tskA

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active site: K129 (= K126), D189 (= D186), E193 (= E190)
binding magnesium ion: D189 (= D186), D189 (= D186), E193 (= E190), E193 (= E190), R246 (≠ L243), Y247 (≠ E244), I249 (≠ V246), D251 (≠ E248), Q254 (= Q251)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y20), G25 (= G21), S26 (= S22), Q27 (= Q23), L46 (= L42), R47 (= R43), S51 (= S48), L78 (= L75), L79 (≠ T76), P80 (= P77), D81 (= D78), H106 (= H103), P131 (= P128)

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)
54% identity, 93% coverage: 10:325/339 of query aligns to 14:329/338 of C1DFH7

query
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C1DFH7

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D190 (= D186) binding
E226 (= E222) binding
E230 (= E226) binding

4xiyA Crystal structure of ketol-acid reductoisomerase from azotobacter (see paper)
54% identity, 93% coverage: 10:323/339 of query aligns to 14:327/328 of 4xiyA

query
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4xiyA

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K

R

A

Q

R

A

M

M

K

R

D

N

V

A

L

L

T

K

D

R

I

I

Q

Q

D

D

G

G

T

E

F

Y

A

A

R

K

N

M

W

F

I

I

A

T

E

E

Y

G

Q

A

A

A

G

N

L

Y

P

P

N

S

Y

M

K

T

R

A

F

Y

K

R

Q

R

A

N

D

N

L

A

E

A

H

H

P

Q

I

I

E

E

Q

V

V

V

G

G

A

E

K

K

L

L

R

R

A

T

R

M

M

M

S

P

W

W

L

I

active site: K130 (= K126), D190 (= D186), E194 (= E190)
binding fe (iii) ion: D190 (= D186), E194 (= E190)
binding magnesium ion: E226 (= E222), E230 (= E226)

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)
56% identity, 91% coverage: 14:323/339 of query aligns to 20:329/337 of P9WKJ7

query
sites
P9WKJ7

R

K

I

V

A

G

V

V

L

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

R

H

A

A

H

H

A

S

L

L

N

S

L

L

R

R

D

D

S

S

G

G

L

V

D

Q

V

V

V

R

V

V

G

G

L

L

R

K

K

Q

G

G

G

S

P

R

S

S

W

R

E

P

R

K

A

V

S

E

A

E

E

Q

G

G

F

L

T

D

V

V

A

D

E

T

P

P

G

A

E

E

A

V

V

A

R

K

G

W

A

A

D

D

L

V

V

V

A

M

V

V

L

L

T

A

P

P

D

D

M

T

V

A

Q

Q

P

A

A

E

L

I

Y

F

K

A

E

G

S

D

I

I

E

E

P

P

N

N

I

L

K

K

A

P

G

G

A

D

A

A

L

L

L

F

F

F

A

G

H

H

G

G

F

L

N

N

V

V

H

H

F

F

K

G

Q

L

I

I

A

K

P

P

R

P

E

A

D

D

I

V

D

A

V

V

I

A

L

M

V

V

A

A

P

P

K

K

G

G

P

P

G

G

A

H

L

L

V

V

R

R

E

Q

Y

F

E

V

I

D

G

G

R

K

G

G

V

V

P

P

S

C

I

L

W

V

A

A

I

V

H

E

Q

Q

D

D

V

P

T

R

G

G

Q

D

A

G

E

L

A

A

K

L

A

A

K

L

A

S

Y

Y

A

A

D

K

G

A

I

I

G

G

G

T

R

R

A

A

L

G

L

V

I

I

K

K

T

T

D

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

A

T

V

V

L

L

C

C

G

G

A

T

S

E

L

L

V

V

Q

K

A

A

G

G

F

F

E

E

T

V

L

M

V

V

E

E

A

A

G

G

Y

Y

Q

P

P

A

E

E

I

L

A

A

Y

Y

Y

F

E
|
E

V

V

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

F

M

Y

Y

E

E

G

G

I

L

A

A

R

R

M

M

L

Y

E

Y

F

S

V

V

S

S

E

D

T

T

A

A

Q

E

Y

F

G

G

D

G

Y

Y

V

L

S

S

G

G

P

P

R

R

V

V

I

I

D

D

A

A

G

G

T

T

K

K

A

E

R

R

M

M

K

R

D

D

V

I

L

L

T

R

D

E

I

I

Q

Q

D

D

G

G

T

S

F

F

A

V

R

H

N

K

W

L

I

V

A

A

E

D

Y

V

Q

E

A

G

G

G

L

N

P

K

N

Q

Y

L

K

E

R

E

F

L

K

R

Q

R

A

Q

D

N

L

A

E

E

H

H

P

P

I

I

E

E

Q

V

V

V

G

G

A

K

K

K

L

L

R

R

A

D

R

L

M

M

S

S

W

W

L

V

D192 (= D186) binding ; binding
E196 (= E190) binding
E228 (= E222) binding
E232 (= E226) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

4ypoA Crystal structure of mycobacterium tuberculosis ketol-acid reductoisomerase in complex with mg2+ (see paper)
56% identity, 91% coverage: 14:323/339 of query aligns to 16:325/325 of 4ypoA

query
sites
4ypoA

R

K

I

V

A

G

V

V

L

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

R

H

A

A

H

H

A

S

L

L

N

S

L

L

R

R

D

D

S

S

G

G

L

V

D

Q

V

V

V

R

V

V

G

G

L

L

R

K

K

Q

G

G

G

S

P

R

S

S

W

R

E

P

R

K

A

V

S

E

A

E

E

Q

G

G

F

L

T

D

V

V

A

D

E

T

P

P

G

A

E

E

A

V

V

A

R

K

G

W

A

A

D

D

L

V

V

V

A

M

V

V

L

L

T

A

P

P

D

D

M

T

V

A

Q

Q

P

A

A

E

L

I

Y

F

K

A

E

G

S

D

I

I

E

E

P

P

N

N

I

L

K

K

A

P

G

G

A

D

A

A

L

L

L

F

F

F

A

G

H

H

G

G

F

L

N

N

V

V

H

H

F

F

K

G

Q

L

I

I

A

K

P

P

R

P

E

A

D

D

I

V

D

A

V

V

I

A

L

M

V

V

A

A

P

P

K
|
K

G

G

P

P

G

G

A

H

L

L

V

V

R

R

E

Q

Y

F

E

V

I

D

G

G

R

K

G

G

V

V

P

P

S

C

I

L

W

V

A

A

I

V

H

E

Q

Q

D

D

V

P

T

R

G

G

Q

D

A

G

E

L

A

A

K

L

A

A

K

L

A

S

Y

Y

A

A

D

K

G

A

I

I

G

G

G

T

R

R

A

A

L

G

L

V

I

I

K

K

T

T

D

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

A

T

V

V

L

L

C

C

G

G

A

T

S

E

L

L

V

V

Q

K

A

A

G

G

F

F

E

E

T

V

L

M

V

V

E

E

A

A

G

G

Y

Y

Q

P

P

A

E

E

I

L

A

A

Y

Y

Y

F

E
|
E

V

V

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

F

M

Y

Y

E

E

G

G

I

L

A

A

R

R

M

M

L

Y

E

Y

F

S

V

V

S

S

E

D

T

T

A

A

Q

E

Y

F

G

G

D

G

Y

Y

V

L

S

S

G

G

P

P

R

R

V

V

I

I

D

D

A

A

G

G

T

T

K

K

A

E

R

R

M

M

K

R

D

D

V

I

L

L

T

R

D

E

I

I

Q

Q

D

D

G

G

T

S

F

F

A

V

R

H

N

K

W

L

I

V

A

A

E

D

Y

V

Q

E

A

G

G

G

L

N

P

K

N

Q

Y

L

K

E

R

E

F

L

K

R

Q

R

A

Q

D

N

L

A

E

E

H

H

P

P

I

I

E

E

Q

V

V

V

G

G

A

K

K

K

L

L

R

R

A

D

R

L

M

M

S

S

W

W

L

V

active site: K128 (= K126), D188 (= D186), E192 (= E190)
binding magnesium ion: D188 (= D186), E192 (= E190), E224 (= E222), E228 (= E226)

6jx2B Crystal structure of ketol-acid reductoisomerase from corynebacterium glutamicum (see paper)
57% identity, 91% coverage: 14:323/339 of query aligns to 18:327/327 of 6jx2B

query
sites
6jx2B

R

K

I

V

A

A

V

I

L

V

G

G

Y

Y

G

G

S

S

Q

Q

G

G

R

H

A

A

H

H

A

S

L

Q

N

N

L

L

R

R

D

D

S

S

G

G

L

V

D

E

V

V

V

I

G

G

L

L

R

R

K

E

G

G

G

S

P

K

S

S

W

A

E

E

R

K

A

A

S

K

A

E

E

A

G

G

F

F

T

E

V

V

A

K

E

T

P

T

G

A

E

E

A

A

V

A

R

A

G

W

A
|
A

D

D

L

V

V

I

A

M

V

L

L

L

T

A

P

P

D

D

M

T

V

S

Q

Q

P

A

A

E

L

I

Y

F

K

T

E

N

S

D

I

I

E

E

P

P

N

N

I

L

K
x
N

A

A

G

G

A
x
D

A

A

L

L

F

F

A

G

H

H

G

G

F

L

N

N

V

I

H

H

F

F

K

D

Q

L

I

I

A

K

P

P

R

A

E

D

D

D

I

I

D

I

V

V

I

G

L

M

V

V

A

A

P

P

K

K

G

G

P

P

G

G

A

H

L

L

V

V

R

R

E

Q

Y

F

E

V

I

D

G

G

R

K

G

G

V

V

P

P

S

C

I

L

W

I

A

A

I

V

H

D

Q

Q

D

D

V

P

T

T

G

G

Q

T

A

A

E

Q

A

A

K

L

A

T

K

L

A

S

Y

Y

A

A

D

A

G

A

I

I

G

G

G

A

R

R

A

A

L

G

L

V

I

I

K

P

T

T

D

T

F

F

K

E

E

A

E

E

T

T

E

V

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

A

V

V

L

L

C

C

G

G

A

T

S

E

L

L

V

V

Q

K

A

V

G

G

F

F

E

E

T

V

L

L

V

T

E

E

A

A

G

G

Y

Y

Q

E

P

P

E

E

I

M

A

A

Y

Y

Y

F

E
|
E

V

V

L

L

H

H

E
|
E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

F

M

Y

F

E

E

G

G

I

I

A

S

R

N

M

M

L

N

E

Y

F

S

V

V

S

S

E

D

T

T

A

A

Q

E

Y

F

G

G

D

G

Y

Y

V

L

S

S

G

G

P

P

R

R

V

V

I

I

D

D

A

A

G

D

T

T

K

K

A

S

R

R

M

M

K

K

D

D

V

I

L

L

T

T

D

D

I

I

Q

Q

D

D

G

G

T

T

F

F

A

T

R

K

N

R

W

L

I

I

A

A

E

N

Y

V

Q

E

A

N

G

G

L

N

P

T

N

E

Y

L

K

E

R

G

F

L

K

R

Q

A

A

S

D

Y

L

N

E

N

H

H

P

P

I

I

E

E

Q

E

V

T

G

G

A

A

K

K

L

L

R

R

A

D

R

L

M

M

S

S

W

W

L

V

binding magnesium ion: A73 (= A69), N98 (≠ K94), D101 (≠ A97), D190 (= D186), D190 (= D186), E194 (= E190), E194 (= E190), E226 (= E222), E230 (= E226)

8ep7C Crystal structure of the ketol-acid reductoisomerase from bacillus anthracis in complex with NADP
57% identity, 93% coverage: 10:325/339 of query aligns to 14:328/328 of 8ep7C

query
sites
8ep7C

L

L

A

Q

N

G

A

K

R

T

I

V

A

A

V

V

L

I

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

R

H

A

A

H

Q

A

A

L

Q

N

N

L

L

R

R

D

D

S

S

G

G

L

V

D

E

V

V

G

G

L

V

R
|
R

K

P

G

G

G

-

P

K

S
|
S

W

F

E

E

R

V

A

A

S

K

A

A

E

D

G

G

F

F

T

E

V

V

A

M

E

S

P

V

G

S

E

E

A

A

V

V

R

R

G

T

A

A

D

Q

L

V

V

V

A

Q

V

M

L
|
L

T
x
L

P
|
P

D
|
D

M

E

V
x
Q

Q

Q

P

A

A

H

L
x
V

Y

Y

K

K

E

A

S

E

I

V

E

E

P

E

N

N

I

L

K

R

A

E

G

G

A

Q

A

M

L

L

F

F

A

S

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

G

Q

Q

I

I

A

N

P

P

R

P

E

S

D

Y

I

V

D

D

V

V

I

A

L

M

V

V

A

A

P

P

K

K

G

S

P

P

G

G

A

H

L

L

V

V

R

R

E

V

Y

F

E

Q

I

E

G

G

R

N

G

G

V

V

P

P

S

A

I

L

W

V

A

A

I

V

H

H

Q

Q

D

D

V

A

T

T

G

G

Q

T

A

A

E

L

A

H

K

V

A

A

K

L

A

A

Y

Y

A

A

D

K

G

G

I

V

G

G

G

C

G

T

R

R

A

A

L

G

L

V

I

I

K

E

T

T

D

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

A

A

V

V

L

L

C

C

G

G

A

V

S

T

S

A

L

L

V

V

Q

K

A

A

G

G

F

F

E

E

T

T

L

L

V

T

E

E

A

G

G

G

Y

Y

Q

R

P

P

E

E

I

I

A

A

Y

Y

Y

F

E

E

V

C

L

L

H

H

E

E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

F

M

Y

Y

E

E

G

G

I

L

A

T

R

N

M

M

L

R

E

H

F

S

V

I

S

S

E

D

T

T

A

A

Q

E

Y

F

G

G

D

D

Y

Y

V

V

S

T

G

G

P

S

R

R

V

I

I

V

D

T

A

D

G

E

T

T

K

K

A

K

R

E

M

M

K

K

D

R

V

V

L

L

T

T

D

E

I

I

Q

Q

D

Q

G

G

T

E

F

F

A

A

R

K

N

K

W

W

I

I

A

L

E

E

Y

N

Q

Q

A

A

G

G

L

R

P

P

N

T

Y

Y

K

N

R

A

F

M

K

K

Q

K

A

A

D

E

L

Q

E

N

H

H

P

Q

I

L

E

E

Q

K

V

V

G

G

A

E

K

E

L

L

R

R

A

E

R

M

M

M

S

S

W

W

L

I

Q

H

A

A

binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y20), G25 (= G21), S26 (= S22), Q27 (= Q23), R47 (= R43), S51 (= S48), L78 (= L75), L79 (≠ T76), P80 (= P77), D81 (= D78), Q83 (≠ V80), V87 (≠ L84), H106 (= H103)

6jx2A Crystal structure of ketol-acid reductoisomerase from corynebacterium glutamicum (see paper)
57% identity, 91% coverage: 14:321/339 of query aligns to 18:325/325 of 6jx2A

query
sites
6jx2A

R

K

I

V

A

A

V

I

L

V

G
|
G

Y
|
Y

G
|
G

S

S

Q

Q

G

G

R

H

A

A

H

H

A

S

L

Q

N

N

L

L

R

R

D

D

S

S

G

G

L

V

D

E

V

V

V

I

G

G

L

L

R
|
R

K

E

G

G

G
x
S

P
x
K

S
|
S

W

A

E

E

R

K

A

A

S

K

A

E

E

A

G

G

F

F

T

E

V

V

A

K

E

T

P

T

G

A

E

E

A

A

V

A

R

A

G

W

A

A

D

D

L

V

V

I

A

M

V

L

L

L

T
x
A

P
|
P

D

D

M

T

V

S

Q

Q

P

A

A

E

L
x
I

Y

F

K

T

E

N

S

D

I

I

E

E

P

P

N

N

I

L

K
x
N

A

A

G

G

A
x
D

A

A

L

L

F

F

A

G

H

H

G

G

F

L

N

N

V

I

H

H

F

F

K

D

Q

L

I

I

A

K

P

P

R

A

E

D

D

D

I

I

D

I

V

V

I

G

L

M

V

V

A

A

P

P

K

K

G

G

P

P

G

G

A

H

L

L

V

V

R

R

E

Q

Y

F

E

V

I

D

G

G

R

K

G

G

V

V

P

P

S

C

I

L

W

I

A

A

I

V

H

D

Q

Q

D

D

V

P

T

T

G

G

Q

T

A

A

E

Q

A

A

K

L

A

T

K

L

A

S

Y

Y

A

A

D

A

G

A

I

I

G

G

G

A

R

R

A

A

L

G

L

V

I

I

K

P

T

T

D

T

F

F

K

E

E

A

E

E

T

T

E

V

T

T

D
|
D

L

L

F

F

G

G

E
|
E

Q

Q

A

A

V

V

L

L

C

C

G

G

A

T

S

E

L

L

V

V

Q

K

A

V

G

G

F

F

E

E

T

V

L

L

V

T

E

E

A

A

G

G

Y

Y

Q

E

P

P

E

E

I

M

A

A

Y

Y

Y

F

E

E

V

V

L

L

H

H

E

E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

F

M

Y

F

E

E

G

G

I

I

A

S

R

N

M

M

L

N

E

Y

F

S

V

V

S

S

E

D

T

T

A

A

Q

E

Y

F

G

G

D

G

Y

Y

V

L

S

S

G

G

P

P

R

R

V

V

I

I

D

D

A

A

G

D

T

T

K

K

A

S

R

R

M

M

K

K

D

D

V

I

L

L

T

T

D

D

I

I

Q

Q

D

D

G

G

T

T

F

F

A

T

R

K

N

R

W

L

I

I

A

A

E

N

Y

V

Q

E

A

N

G

G

L

N

P

T

N

E

Y

L

K

E

R

G

F

L

K

R

Q

A

A

S

D

Y

L

N

E

N

H

H

P

P

I

I

E

E

Q

E

V

T

G

G

A

A

K

K

L

L

R

R

A

D

R

L

M

M

S

S

binding magnesium ion: N98 (≠ K94), D101 (≠ A97), D190 (= D186), E194 (= E190)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G23 (= G19), Y24 (= Y20), G25 (= G21), R47 (= R43), S50 (≠ G46), K51 (≠ P47), S52 (= S48), A80 (≠ T76), P81 (= P77), I88 (≠ L84)

7rduA Crystal structure of campylobacter jejuni keto said reductoisomerase in complex with magnesium and oxidixized and reduced NADPH
51% identity, 93% coverage: 10:324/339 of query aligns to 15:329/329 of 7rduA

query
sites
7rduA

L

I

A

K

N

S

A

K

R

K

I

V

A

A

V

I

L

I

G
|
G

Y
x
F

G
|
G

S
|
S

Q
|
Q

G

G

R

H

A

A

H

H

A

A

L

M

N

N

L

L

R

R

D

D

S

N

G

G

L

V

D

N

V

V

V

T

V

I

G

G

L

L

R
|
R

K

E

G

G

G
x
S

P

V

S
|
S

W

A

E

V

R

K

A

A

S

K

A

N

E

A

G

G

F

F

T

E

V

V

A

M

E

S

P

V

G

S

E

E

A

A

V

S

R

K

G

I

A

A

D

D

L

V

V

I

A

M

V

I

L
|
L

T
x
A

P
|
P

D
|
D

M

E

V

I

Q

Q

P

A

A

D

L
x
I

Y

F

K

N

E

V

S

E

I

I

E

K

P

P

N

N

I

L

K

S

A

E

G

G

A

K

A

A

L

I

L

A

F

F

A
|
A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

Y

K

G

Q

Q

I

I

A

V

P

V

R

P

E

K

D

G

I

V

D

D

V

V

I

I

L

M

V

I

A

A

P
|
P

K
|
K

G
x
A

P

P

G

G

A

H

L

T

V

V

R

R

R

N

E

E

Y

F

E

T

I

L

G

G

R

G

G

G

V

T

P

P

S

C

I

L

W

I

A

A

I

I

H

H

Q

Q

D

D

V

E

T

S

G

K

Q

N

A

A

E

K

A

N

K

L

A

A

K

L

A

S

Y

Y

A

A

D

S

G

A

I

I

G

G

R

R

A

T

L

G

L

I

I

I

K

E

T

T

D

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

A

A

V

V

L

L

C

C

G

G

A

L

S

S

S

A

L

L

V

I

Q

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

I

M

A

A

Y

Y

Y

F

E

E

V

C

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

F

I

Y

Y

E

Q

G

G

I

I

A

A

R

D

M

M

L

R

E

Y

F

S

V

I

S

S

E

N

T

T

A

A

Q

E

Y

Y

G

G

D

D

Y

Y

V

I

S

T

G

G

P

P

R

K

V

I

I

I

D

T

A

E

G

E

T

T

K

K

A

K

R

A

M

M

K

K

D

G

V

V

L

L

T

K

D

D

I

I

Q

Q

D

N

G

G

T

V

F

F

A

A

R

K

N

D

W

F

I

I

A

L

E

E

Y

R

Q

R

A

A

G

G

L

F

P

A

N

R

Y

M

K

H

R

A

F

E

K

R

Q

K

A

N

D

M

L

N

E

D

H

S

P

L

I

I

E

E

Q

K

V

T

G

G

A

R

K

N

L

L

R

R

A

A

R

M

M

M

S

P

W

W

L

I

Q

S

binding nadp nicotinamide-adenine-dinucleotide phosphate: G24 (= G19), G26 (= G21), S27 (= S22), Q28 (= Q23), R48 (= R43), S51 (≠ G46), S53 (= S48), A81 (≠ T76), P82 (= P77), D83 (= D78), I89 (≠ L84), A107 (= A102), H108 (= H103), P130 (= P125), K131 (= K126), A132 (≠ G127)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G24 (= G19), F25 (≠ Y20), G26 (= G21), S27 (= S22), Q28 (= Q23), S51 (≠ G46), S53 (= S48), L80 (= L75), P82 (= P77), D83 (= D78), I89 (≠ L84), A107 (= A102), H108 (= H103)

7latA Campylobacter jejuni keto-acid reductoisomerase in complex with mg2+
51% identity, 93% coverage: 10:324/339 of query aligns to 15:329/329 of 7latA

query
sites
7latA

L

I

A

K

N

S

A

K

R

K

I

V

A

A

V

I

L

I

G

G

Y

F

G

G

S

S

Q

Q

G

G

R

H

A

A

H

H

A

A

L

M

N

N

L

L

R

R

D

D

S

N

G

G

L

V

D

N

V

V

V

T

V

I

G

G

L

L

R

R

K

E

G

G

G

S

P

V

S

S

W

A

E

V

R

K

A

A

S

K

A

N

E

A

G

G

F

F

T

E

V

V

A

M

E

S

P

V

G

S

E

E

A

A

V

S

R

K

G

I

A

A

D

D

L

V

V

I

A

M

V

I

L

L

T

A

P

P

D

D

M

E

V

I

Q

Q

P

A

A

D

L

I

Y

F

K

N

E

V

S

E

I

I

E

K

P

P

N

N

I

L

K

S

A

E

G

G

A

K

A

A

L

I

L

A

F

F

A

A

H

H

G

G

F

F

N

N

V

I

H

H

F

Y

K

G

Q

Q

I

I

A

V

P

V

R

P

E

K

D

G

I

V

D

D

V

V

I

I

L

M

V

I

A

A

P

P

K

K

G

A

P

P

G

G

A

H

L

T

V

V

R

R

R

N

E

E

Y

F

E

T

I

L

G

G

R

G

G

G

V

T

P

P

S

C

I

L

W

I

A

A

I

I

H

H

Q

Q

D

D

V

E

T

S

G

K

Q

N

A

A

E

K

A

N

K

L

A

A

K

L

A

S

Y

Y

A

A

D

S

G

A

I

I

G

G

R

R

A

T

L

G

L

I

I

I

K

E

T

T

D

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

A

A

V

V

L

L

C

C

G

G

A

L

S

S

S

A

L

L

V

I

Q

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

I

M

A

A

Y

Y

Y

F

E

E

V

C

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

F

I

Y

Y

E

Q

G

G

I

I

A

A

R

D

M

M

L

R

E

Y

F

S

V

I

S

S

E

N

T

T

A

A

Q

E

Y

Y

G

G

D

D

Y

Y

V

I

S

T

G

G

P

P

R

K

V

I

I

I

D

T

A

E

G

E

T

T

K

K

A

K

R

A

M

M

K

K

D

G

V

V

L

L

T

K

D

D

I

I

Q

Q

D

N

G

G

T

V

F

F

A

A

R

K

N

D

W

F

I

I

A

L

E

E

Y

R

Q

R

A

A

G

G

L

F

P

A

N

R

Y

M

K

H

R

A

F

E

K

R

Q

K

A

N

D

M

L

N

E

D

H

S

P

L

I

I

E

E

Q

K

V

T

G

G

A

R

K

N

L

L

R

R

A

A

R

M

M

M

S

P

W

W

L

I

Q

S

binding magnesium ion: D191 (= D186), E195 (= E190)

6bulB Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 2
56% identity, 93% coverage: 10:324/339 of query aligns to 14:327/327 of 6bulB

query
sites
6bulB

L

L

A

Q

N

G

A

K

R

K

I

I

A

A

V

V

L

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

R

H

A

A

H

H

A

A

L

Q

N

N

L

L

R

K

D

D

S

N

G

G

L

Y

D

D

V

V

V

I

G

G

L
x
I

R
|
R

K

P

G

G

G

-

P

R

S
|
S

W

F

E

D

R

K

A

A

S

K

A

E

E

D

G

G

F

F

T

D

V

V

A

F

E

P

P

V

G

A

E

E

A

A

V

V

R

K

G

Q

A

A

D

D

L

V

V

I

A

M

V

V

L
|
L

T
x
L

P
|
P

D
|
D

M

E

V

I

Q

Q

P

G

A

D

L

V

Y

Y

K

K

E

N

S

E

I

I

E

E

P

P

N

N

I

L

K

E

A

K

G

H

A

N

A

A

L

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

G

Q

V

I

I

A

Q

P

P

R

P

E

A

D

D

I

V

D

D

V

V

I

F

L

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

A

H

L

L

V

V

R

R

E

T

Y

F

E

V

I

E

G

G

R

S

G

A

V

V

P

P

S

S

I

L

W

F

A

G

I

I

H

Q

Q

Q

D

D

V

A

T

S

G

G

Q

Q

A

A

E

R

A

N

K

I

A

A

K

L

A

S

Y

Y

A

A

D

K

G

G

I

I

G

G

G

A

G

T

R

R

A

A

L

G

L

V

I

I

K

E

T

T

D

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

A

A

V

V

L

L

C

C

G

G

A

V

S

S

S

K

L

L

V

I

Q

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

I

L

A

A

Y

Y

Y

F

E

E

V

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I
|
I

V

V

D

D

L

L

F

M

Y

Y

E

E

G

G

I

M

A

E

R

N

M

V

L

R

E

Y

F
x
S

V
x
I

S
|
S

E

N

T

T

A
|
A

Q

E

Y

F

G

G

D

D

Y

Y

V

V

S

S

G

G

P

P

R

R

V

V

I

I

D

T

A

P

G

D

T

V

K

K

A

E

R

N

M

M

K

K

D

A

V

V

L

L

T

T

D

D

I

I

Q

Q

D

N

G

G

T

N

F

F

A

S

R

N

N

R

W

F

I

I

A

E

E

D

Y

N

Q

K

A

N

G

G

L

F

P

K

N

E

Y

F

K

Y

R

K

F

L

K

R

Q

E

A

E

D

Q

L

H

E

G

H

H

P

Q

I

I

E

E

Q

K

V

V

G

G

A

R

K

E

L

L

R

R

A

E

R

M

M

M

S

P

W

F

L

I

Q

K

active site: K129 (= K126), D189 (= D186), E193 (= E190)
binding {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid: P131 (= P128), D189 (= D186), E193 (= E190), E229 (= E226), I233 (= I230), I249 (≠ V246), S250 (= S247), A253 (= A250)
binding oxo{[(1S)-1-phenylethyl]amino}acetic acid: P131 (= P128), D189 (= D186), E193 (= E190), E229 (= E226), I233 (= I230), I249 (≠ V246), S250 (= S247), A253 (= A250)
binding magnesium ion: D189 (= D186), E193 (= E190)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y20), G25 (= G21), S26 (= S22), Q27 (= Q23), I46 (≠ L42), R47 (= R43), S51 (= S48), L78 (= L75), L79 (≠ T76), P80 (= P77), D81 (= D78), H106 (= H103), P131 (= P128), S248 (≠ F245), I249 (≠ V246), S250 (= S247)

6vo2A Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex with mg, NADPH and inhibitor. (see paper)
56% identity, 93% coverage: 10:323/339 of query aligns to 14:326/326 of 6vo2A

query
sites
6vo2A

L

L

A

Q

N

G

A

K

R

K

I

I

A

A

V

V

L

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

R

H

A

A

H

H

A

A

L

Q

N

N

L

L

R

K

D

D

S

N

G

G

L

Y

D

D

V

V

V

I

G

G

L
x
I

R
|
R

K

P

G

G

G

-

P

R

S
|
S

W

F

E

D

R

K

A

A

S

K

A

E

E

D

G

G

F

F

T

D

V

V

A

F

E

P

P

V

G

A

E

E

A

A

V

V

R

K

G

Q

A

A

D

D

L

V

V

I

A

M

V

V

L
|
L

T
x
L

P
|
P

D
|
D

M

E

V

I

Q

Q

P

G

A

D

L

V

Y

Y

K

K

E

N

S

E

I

I

E

E

P

P

N

N

I

L

K

E

A

K

G

H

A

N

A

A

L

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

G

Q

V

I

I

A

Q

P

P

R

P

E

A

D

D

I

V

D

D

V

V

I

F

L

L

V

V

A

A

P

P

K

K

G
|
G

P
|
P

G

G

A

H

L

L

V

V

R

R

E

T

Y

F

E

V

I

E

G

G

R

S

G

A

V

V

P

P

S

S

I

L

W

F

A

G

I

I

H

Q

Q

Q

D

D

V

A

T

S

G

G

Q

Q

A

A

E

R

A

N

K

I

A

A

K

L

A

S

Y

Y

A

A

D

K

G

G

I

I

G

G

G

A

G

T

R

R

A

A

L

G

L

V

I

I

K

E

T

T

D

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

A

A

V

V

L

L

C

C

G

G

A

V

S

S

S

K

L

L

V

I

Q

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

I

L

A

A

Y

Y

Y

F

E

E

V

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

F

M

Y

Y

E

E

G

G

I

M

A

E

R

N

M

V

L

R

E

Y

F

S

V
x
I

S
|
S

E

N

T

T

A
|
A

Q

E

Y

F

G

G

D

D

Y

Y

V

V

S

S

G

G

P

P

R

R

V

V

I

I

D

T

A

P

G

D

T

V

K

K

A

E

R

N

M

M

K

K

D

A

V

V

L

L

T

T

D

D

I

I

Q

Q

D

N

G

G

T

N

F

F

A

S

R

N

N

R

W

F

I

I

A

E

E

D

Y

N

Q

K

A

N

G

G

L

F

P

K

N

E

Y

F

K

Y

R

K

F

L

K

R

Q

E

A

E

D

Q

L

H

E

G

H

H

P

Q

I

I

E

E

Q

K

V

V

G

G

A

R

K

E

L

L

R

R

A

E

R

M

M

M

S

P

W

F

L

I

binding magnesium ion: D189 (= D186), E193 (= E190)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y20), G25 (= G21), S26 (= S22), Q27 (= Q23), I46 (≠ L42), R47 (= R43), S51 (= S48), L78 (= L75), L79 (≠ T76), P80 (= P77), D81 (= D78), H106 (= H103), P131 (= P128), I249 (≠ V246), S250 (= S247)
binding 3-(methylsulfonyl)-2-oxopropanoic acid: G130 (= G127), P131 (= P128), D189 (= D186), E193 (= E190), E229 (= E226), I249 (≠ V246), S250 (= S247), A253 (= A250)

6c5nA Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1
56% identity, 93% coverage: 10:323/339 of query aligns to 14:326/326 of 6c5nA

query
sites
6c5nA

L

L

A

Q

N

G

A

K

R

K

I

I

A

A

V

V

L

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

R

H

A

A

H

H

A

A

L

Q

N

N

L

L

R

K

D

D

S

N

G

G

L

Y

D

D

V

V

V

I

G

G

L
x
I

R
|
R

K

P

G

G

G

-

P

R

S
|
S

W

F

E

D

R

K

A

A

S

K

A

E

E

D

G

G

F

F

T

D

V

V

A

F

E

P

P

V

G

A

E

E

A

A

V

V

R

K

G

Q

A

A

D

D

L

V

V

I

A

M

V

V

L
|
L

T
x
L

P
|
P

D
|
D

M

E

V

I

Q

Q

P

G

A

D

L

V

Y

Y

K

K

E

N

S

E

I

I

E

E

P

P

N

N

I

L

K

E

A

K

G

H

A

N

A

A

L

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

G

Q

V

I

I

A

Q

P

P

R

P

E

A

D

D

I

V

D

D

V

V

I

F

L

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

A

H

L

L

V

V

R

R

E

T

Y

F

E

V

I

E

G

G

R

S

G

A

V

V

P

P

S

S

I

L

W

F

A

G

I

I

H

Q

Q

Q

D

D

V

A

T

S

G

G

Q

Q

A

A

E

R

A

N

K

I

A

A

K

L

A

S

Y

Y

A

A

D

K

G

G

I

I

G

G

G

A

G

T

R

R

A

A

L

G

L

V

I

I

K

E

T

T

D

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

A

A

V

V

L

L

C
|
C

G

G

A

V

S

S

S

K

L

L

V

I

Q

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

I

L

A

A

Y

Y

Y

F

E

E

V

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I
|
I

V

V

D

D

L

L

F

M

Y

Y

E

E

G

G

I

M

A

E

R

N

M

V

L

R

E

Y

F
x
S

V
x
I

S
|
S

E

N

T

T

A
|
A

Q

E

Y

F

G

G

D

D

Y

Y

V

V

S

S

G

G

P

P

R

R

V

V

I

I

D

T

A

P

G

D

T

V

K

K

A

E

R

N

M

M

K

K

D

A

V

V

L

L

T

T

D

D

I

I

Q

Q

D

N

G

G

T

N

F

F

A

S

R

N

N

R

W

F

I

I

A

E

E

D

Y

N

Q

K

A

N

G

G

L

F

P

K

N

E

Y

F

K

Y

R

K

F

L

K

R

Q

E

A

E

D

Q

L

H

E

G

H

H

P

Q

I

I

E

E

Q

K

V

V

G

G

A

R

K

E

L

L

R

R

A

E

R

M

M

M

S

P

W

F

L

I

active site: K129 (= K126), D189 (= D186), E193 (= E190)
binding (cyclopentylamino)(oxo)acetic acid: P131 (= P128), D189 (= D186), E193 (= E190), C198 (= C195), E229 (= E226), I233 (= I230), I249 (≠ V246), S250 (= S247), A253 (= A250)
binding [cyclopentyl(hydroxy)amino](oxo)acetic acid: P131 (= P128), D189 (= D186), E193 (= E190), C198 (= C195), E229 (= E226), I249 (≠ V246), S250 (= S247), A253 (= A250)
binding magnesium ion: D189 (= D186), E193 (= E190)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y20), G25 (= G21), S26 (= S22), Q27 (= Q23), I46 (≠ L42), R47 (= R43), S51 (= S48), L78 (= L75), L79 (≠ T76), P80 (= P77), D81 (= D78), H106 (= H103), P131 (= P128), S248 (≠ F245), I249 (≠ V246), S250 (= S247)

6c55A Crystal structure of staphylococcus aureus ketol-acid reductosimerrase with hydroxyoxamate inhibitor 3
56% identity, 93% coverage: 10:323/339 of query aligns to 14:326/326 of 6c55A

query
sites
6c55A

L

L

A

Q

N

G

A

K

R

K

I

I

A

A

V

V

L

V

G

G

Y

Y

G
|
G

S
|
S

Q
|
Q

G

G

R

H

A

A

H

H

A

A

L

Q

N

N

L

L

R

K

D

D

S

N

G

G

L

Y

D

D

V

V

V

I

G

G

L
x
I

R
|
R

K

P

G

G

G

-

P

R

S
|
S

W

F

E

D

R

K

A

A

S

K

A

E

E

D

G

G

F

F

T

D

V

V

A

F

E

P

P

V

G

A

E

E

A

A

V

V

R

K

G

Q

A

A

D

D

L

V

V

I

A

M

V

V

L

L

T
x
L

P
|
P

D
|
D

M

E

V
x
I

Q

Q

P

G

A

D

L

V

Y

Y

K

K

E

N

S

E

I

I

E

E

P

P

N

N

I

L

K

E

A

K

G

H

A

N

A

A

L

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

G

Q

V

I

I

A

Q

P

P

R

P

E

A

D

D

I

V

D

D

V

V

I

F

L

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

A

H

L

L

V

V

R

R

E

T

Y

F

E

V

I

E

G

G

R

S

G

A

V

V

P

P

S

S

I

L

W

F

A

G

I

I

H

Q

Q

Q

D

D

V

A

T

S

G

G

Q

Q

A

A

E

R

A

N

K

I

A

A

K

L

A

S

Y

Y

A

A

D

K

G

G

I

I

G

G

G

A

G

T

R

R

A

A

L

G

L

V

I

I

K

E

T

T

D

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

A

A

V

V

L

L

C
|
C

G

G

A

V

S

S

S

K

L

L

V

I

Q

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

I

L

A

A

Y

Y

Y

F

E

E

V

V

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

F

M

Y

Y

E

E

G

G

I

M

A

E

R

N

M

V

L

R

E

Y

F
x
S

V
x
I

S
|
S

E

N

T

T

A
|
A

Q

E

Y

F

G

G

D

D

Y

Y

V

V

S

S

G

G

P

P

R

R

V

V

I

I

D

T

A

P

G

D

T

V

K

K

A

E

R

N

M

M

K

K

D

A

V

V

L

L

T

T

D

D

I

I

Q

Q

D

N

G

G

T

N

F

F

A

S

R

N

N

R

W

F

I

I

A

E

E

D

Y

N

Q

K

A

N

G

G

L

F

P

K

N

E

Y

F

K

Y

R

K

F

L

K

R

Q

E

A

E

D

Q

L

H

E

G

H

H

P

Q

I

I

E

E

Q

K

V

V

G

G

A

R

K

E

L

L

R

R

A

E

R

M

M

M

S

P

W

F

L

I

active site: K129 (= K126), D189 (= D186), E193 (= E190)
binding [cyclohexyl(hydroxy)amino](oxo)acetic acid: P131 (= P128), D189 (= D186), E193 (= E190), C198 (= C195)
binding (cyclohexylamino)(oxo)acetic acid: P131 (= P128), D189 (= D186), E193 (= E190), C198 (= C195), I249 (≠ V246), S250 (= S247), A253 (= A250)
binding magnesium ion: D189 (= D186), E193 (= E190)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G25 (= G21), S26 (= S22), Q27 (= Q23), I46 (≠ L42), R47 (= R43), S51 (= S48), L79 (≠ T76), P80 (= P77), D81 (= D78), I83 (≠ V80), H106 (= H103), S248 (≠ F245), S250 (= S247)

6aqjA Crystal structures of staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity. (see paper)
56% identity, 93% coverage: 10:323/339 of query aligns to 14:326/326 of 6aqjA

query
sites
6aqjA

L

L

A

Q

N

G

A

K

R

K

I

I

A

A

V

V

L

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

R

H

A

A

H

H

A

A

L

Q

N

N

L

L

R

K

D

D

S

N

G

G

L

Y

D

D

V

V

V

I

G

G

L
x
I

R
|
R

K

P

G

G

G

-

P

R

S
|
S

W

F

E

D

R

K

A

A

S

K

A

E

E

D

G

G

F

F

T

D

V

V

A

F

E

P

P

V

G

A

E

E

A

A

V

V

R

K

G

Q

A

A

D

D

L

V

V

I

A

M

V

V

L
|
L

T
x
L

P
|
P

D
|
D

M

E

V

I

Q

Q

P

G

A

D

L

V

Y

Y

K

K

E

N

S

E

I

I

E

E

P

P

N

N

I

L

K

E

A

K

G

H

A

N

A

A

L

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

G

Q

V

I

I

A

Q

P

P

R

P

E

A

D

D

I

V

D

D

V

V

I

F

L

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G

G

A

H

L

L

V

V

R

R

E

T

Y

F

E

V

I

E

G

G

R

S

G

A

V

V

P

P

S

S

I

L

W

F

A

G

I

I

H

Q

Q

Q

D

D

V

A

T

S

G

G

Q

Q

A

A

E

R

A

N

K

I

A

A

K

L

A

S

Y

Y

A

A

D

K

G

G

I

I

G

G

G

A

G

T

R

R

A

A

L

G

L

V

I

I

K

E

T

T

D

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

A

A

V

V

L

L

C

C

G

G

A

V

S

S

S

K

L

L

V

I

Q

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

I

L

A

A

Y

Y

Y

F

E

E

V

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I
|
I

V

V

D

D

L

L

F

M

Y

Y

E

E

G

G

I

M

A

E

R

N

M

V

L

R

E

Y

F

S

V
x
I

S
|
S

E

N

T

T

A
|
A

Q

E

Y

F

G

G

D

D

Y

Y

V

V

S

S

G

G

P

P

R

R

V

V

I

I

D

T

A

P

G

D

T

V

K

K

A

E

R

N

M

M

K

K

D

A

V

V

L

L

T

T

D

D

I

I

Q

Q

D

N

G

G

T

N

F

F

A

S

R

N

N

R

W

F

I

I

A

E

E

D

Y

N

Q

K

A

N

G

G

L

F

P

K

N

E

Y

F

K

Y

R

K

F

L

K

R

Q

E

A

E

D

Q

L

H

E

G

H

H

P

Q

I

I

E

E

Q

K

V

V

G

G

A

R

K

E

L

L

R

R

A

E

R

M

M

M

S

P

W

F

L

I

active site: K129 (= K126), D189 (= D186), E193 (= E190)
binding oxo(propan-2-ylamino)acetic acid: P131 (= P128), D189 (= D186), E193 (= E190), E229 (= E226), I233 (= I230), I249 (≠ V246), S250 (= S247), A253 (= A250)
binding n-hydroxy-n-isopropyloxamic acid: P131 (= P128), D189 (= D186), E193 (= E190), E229 (= E226), I249 (≠ V246), S250 (= S247), A253 (= A250)
binding magnesium ion: D189 (= D186), E193 (= E190)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y20), G25 (= G21), S26 (= S22), Q27 (= Q23), I46 (≠ L42), R47 (= R43), S51 (= S48), L78 (= L75), L79 (≠ T76), P80 (= P77), D81 (= D78), H106 (= H103), P131 (= P128), I249 (≠ V246), S250 (= S247)

5w3kA Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, mg2+ and cpd (see paper)
56% identity, 93% coverage: 10:323/339 of query aligns to 14:326/326 of 5w3kA

query
sites
5w3kA

L

L

A

Q

N

G

A

K

R

K

I

I

A

A

V

V

L

V

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

R

H

A

A

H

H

A

A

L

Q

N

N

L

L

R

K

D

D

S

N

G

G

L

Y

D

D

V

V

V

I

G

G

L
x
I

R
|
R

K

P

G

G

G

-

P

R

S
|
S

W

F

E

D

R

K

A

A

S

K

A

E

E

D

G

G

F

F

T

D

V

V

A

F

E

P

P

V

G

A

E

E

A

A

V
|
V

R
x
K

G

Q

A
|
A

D

D

L

V

V

I

A

M

V

V

L
|
L

T
x
L

P
|
P

D
|
D

M

E

V

I

Q

Q

P

G

A

D

L

V

Y

Y

K

K

E

N

S

E

I

I

E

E

P

P

N

N

I

L

K

E

A

K

G

H

A
x
N

A

A

L

L

L

A

F

F

A

A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

G

Q

V

I

I

A

Q

P

P

R

P

E

A

D

D

I

V

D

D

V

V

I

F

L

L

V

V

A

A

P

P

K
|
K

G

G

P
|
P

G
|
G

A

H

L

L

V

V

R

R

E

T

Y

F

E

V

I

E

G

G

R

S

G

A

V

V

P

P

S

S

I

L

W

F

A

G

I

I

H

Q

Q

Q

D

D

V

A

T

S

G

G

Q

Q

A

A

E

R

A

N

K

I

A

A

K

L

A

S

Y

Y

A

A

D

K

G

G

I

I

G

G

G

A

G

T

R

R

A

A

L

G

L

V

I

I

K

E

T

T

D

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

A

A

V

V

L

L

C

C

G

G

A

V

S

S

S

K

L

L

V

I

Q

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

I

L

A

A

Y

Y

Y

F

E

E

V

V

L

L

H

H

E
|
E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

F

M

Y

Y

E

E

G

G

I

M

A

E

R

N

M

V

L

R

E

Y

F

S

V
x
I

S
|
S

E

N

T

T

A
|
A

Q

E

Y

F

G

G

D

D

Y

Y

V

V

S

S

G

G

P

P

R

R

V

V

I

I

D

T

A

P

G

D

T

V

K

K

A

E

R

N

M

M

K

K

D

A

V

V

L

L

T

T

D

D

I

I

Q

Q

D

N

G

G

T

N

F

F

A

S

R

N

N

R

W

F

I

I

A

E

E

D

Y

N

Q

K

A

N

G

G

L

F

P

K

N

E

Y

F

K

Y

R

K

F

L

K

R

Q

E

A

E

D

Q

L

H

E

G

H

H

P

Q

I

I

E

E

Q

K

V

V

G

G

A

R

K

E

L

L

R

R

A

E

R

M

M

M

S

P

W

F

L

I

active site: K129 (= K126), D189 (= D186), E193 (= E190)
binding cyclopropane-1,1-dicarboxylic acid: D189 (= D186), E193 (= E190), E229 (= E226), I249 (≠ V246), S250 (= S247), A253 (= A250)
binding magnesium ion: V69 (= V66), K70 (≠ R67), A72 (= A69), N100 (≠ A97), D189 (= D186), E193 (= E190)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y20), G25 (= G21), S26 (= S22), Q27 (= Q23), I46 (≠ L42), R47 (= R43), S51 (= S48), L78 (= L75), L79 (≠ T76), P80 (= P77), D81 (= D78), H106 (= H103), P131 (= P128), G132 (= G129), I249 (≠ V246), S250 (= S247)

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)
55% identity, 94% coverage: 10:326/339 of query aligns to 16:331/340 of Q02138

query
sites
Q02138

L

L

A

A

N

G

A

K

R

Q

I

I

A

A

V

V

L

I

G

G

Y

Y

G

G

S

S

Q

Q

G

G

R

H

A

A

H

H

A

A

L

Q

N

N

L

L

R

R

D

D

S

S

G

G

L

H

D

N

V

V

V

I

G

G

L
x
V

R
|
R

K

H

G

G

G

-

P
x
K

S
|
S

W

F

E

D

R

K

A

A

S

K

A

E

E

D

G

G

F

F

T

E

V

T

A

F

E

E

P

V

G

G

E

E

A

A

V

V

R

A

G

K

A

A

D

D

L

V

V

I

A

M

V

V

L

L

T

A

P

P

D

D

M

E

V

L

Q

Q

P

Q

A

S

L

I

Y

Y

K

E

E

E

S

D

I

I

E

K

P

P

N

N

I

L

K

K

A

A

G

G

A

S

A

A

L

L

L

G

F

F

A

A

H

H

G

G

F

F

N

N

V

I

H

H

F

F

K

G

Q

Y

I

I

A

K

P

V

R

P

E

E

D

D

I

V

D

D

V

V

I

F

L

M

V

V

A

A

P

P

K

K

G

A

P

P

G

G

A

H

L

L

V

V

R

R

E

T

Y

Y

E

T

I

E

G

G

R

F

G

G

V

T

P

P

S

A

I

L

W

F

A

V

I

S

H

H

Q

Q

D

N

V

A

T

S

G

G

Q

H

A

A

E

R

A

E

K

I

A

A

K

M

A

D

Y

W

A

A

D

K

G

G

I

I

G

G

G

C

G

A

R

R

A

V

L

G

L

I

I

I

K

E

T

T

D

T

F

F

K

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

A

L

S

T

S

A

L

L

V

V

Q

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

I

L

A

A

Y

Y

Y

F

E

E

V

V

L

L

H

H

E

E

L

M

K

K

L

L

I

I

V

V

D

D

L

L

F

M

Y

Y

E

E

G

G

I

F

A

T

R

K

M

M

L

R

E

Q

F

S

V

I

S

S

E

N

T

T

A

A

Q

E

Y

F

G

G

D

D

Y

Y

V

V

S

T

G

G

P

P

R

R

V

I

I

I

D

T

A

D

G

A

T

V

K

K

A

K

R

N

M

M

K

K

D

L

V

V

L

L

T

A

D

D

I

I

Q

Q

D

S

G

G

T

K

F

F

A

A

R

Q

N

D

W

F

I

V

A

D

E

D

Y

F

Q

K

A

A

G

G

L

R

P

P

N

K

Y

L

K

T

R

A

F

Y

K

R

Q

E

A

A

D

A

L

K

E

N

H

L

P

E

I

I

E

E

Q

K

V

I

G

G

A

A

K

E

L

L

R

R

A

K

R

A

M

M

S

P

W

F

L

T

Q

Q

A

S

G

G

V48 (≠ L42) 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 (= R43) 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 (≠ P47) 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 (= S48) 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.

5e4rA Crystal structure of domain-duplicated synthetic class ii ketol-acid reductoisomerase 2ia_kari-dd (see paper)
55% identity, 92% coverage: 10:320/339 of query aligns to 14:324/466 of 5e4rA

query
sites
5e4rA

L

I

A

K

N

N

A

K

R

T

I

I

A

A

V

I

L

L

G

G

Y

Y

G
|
G

S
|
S

Q
|
Q

G

G

R

R

A

A

H

W

A

A

L

L

N

N

L

L

R

R

D

D

S

S

G

G

L

L

D

N

V

V

G

G

L

L

R

E

K

R

G

Q

G

G

P

D

S
|
S

W

W

E

R

R

R

A

A

S

I

A

D

E

D

G

G

F

F

T

K

V

P

A

M

E

Y

P

T

G

K

E

D

A

A

V

V

R

A

G

I

A

A

D

D

L

I

V

I

A

V

V

F

L
|
L

T
x
V

P
|
P

D
|
D

M

M

V
|
V

Q

Q

P

K

A

S

L

L

Y

W

K

L

E

N

S

S

I

V

E

K

P

D

N

F

I

M

K

K

A

K

G

G

A

A

A

D

L

L

L

V

F

F

A
|
A

H
|
H

G

G

F

F

N

N

V

I

H

H

F

F

K

K

Q

I

I

I

A

E

P

P

R

P

E

K

D

D

I

S

D

D

V

V

I

Y

L

M

V

I

A

A

P

P

K
|
K

G

S

P
|
P

G

G

A

P

L

I

V

V

R

R

E

S

Y

Y

E

E

I

M

G

G

R

G

G

G

V

V

P

P

S

A

I

L

W

V

A

A

I

V

H

Y

Q

Q

D

N

V

V

T

S

G

G

Q

E

A

A

E

L

A

Q

K

K

A

A

K

L

A

A

Y

I

A

A

D

K

G

G

I

I

G

G

G

C

G

A

R

R

A

A

L

G

L

V

I

I

K

E

T

S

D

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

A

V

V

I

L

L

C

V

G

G

A

I

S

M

S

E

L

L

V

I

Q

K

A

A

G

S

F

F

E

E

T

T

L

L

V

V

E

E

A

E

G

G

Y

Y

Q

Q

P

P

E

E

I

V

A

A

Y

Y

Y

F

E

E

V

T

L

V

H

N

E

E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

F

I

Y

Y

E

E

G

K

G

G

I

L

A

T

R

G

M

M

L

L

E

R

F

A

V

V

S

S

E

D

T

T

A

A

Q

K

Y

Y

G

G

D

G

Y

I

V

T

S

V

G

G

P

K

R

F

V

I

I

I

D

D

A

K

G

S

T

V

K

R

A

D

R

K

M

M

K

K

D

I

V

V

L

L

T

E

D

R

I

I

Q

R

D

S

G

G

T

E

F

F

A

A

R

R

N

E

W

W

I

I

A

K

E

E

Y

Y

Q

E

A

R

G

G

L

M

P

P

N

T

Y

V

K

-

R

-

F

F

K

K

Q

E

-

L

A

S

D

E

L

L

E

E

-

G

H

S

P

T

I

I

E

E

Q

T

V

V

G

G

A

R

K

K

L

L

R

R

A

E

R

M

M

M

active site: K130 (= K126), D190 (= D186), E194 (= E190)
binding oxo(propan-2-ylamino)acetic acid: P132 (= P128), D190 (= D186), E194 (= E190)
binding magnesium ion: D190 (= D186), E194 (= E190)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G25 (= G21), S26 (= S22), Q27 (= Q23), S52 (= S48), L79 (= L75), V80 (≠ T76), P81 (= P77), D82 (= D78), V84 (= V80), A106 (= A102), H107 (= H103), P132 (= P128)

Sites not aligning to the query:

E0SRA9 Ketol-acid reductoisomerase (NAD(P)(+)); KARI; Acetohydroxy-acid isomeroreductase; AHIR; Alpha-keto-beta-hydroxylacyl reductoisomerase; Ketol-acid reductoisomerase type 1; Ketol-acid reductoisomerase type I; EC 1.1.1.383 from Ignisphaera aggregans (strain DSM 17230 / JCM 13409 / AQ1.S1) (see paper)
55% identity, 92% coverage: 10:320/339 of query aligns to 15:325/335 of E0SRA9

query
sites
E0SRA9

L

I

A

K

N

N

A

K

R

T

I

I

A

A

V

I

L

L

G

G

Y
|
Y

G
|
G

S
|
S

Q
|
Q

G

G

R

R

A

A

H

W

A

A

L

L

N

N

L

L

R

R

D

D

S

S

G

G

L

L

D

N

V

V

G

G

L

L

R

E

K
x
R

G

Q

G

G

P

D

S
|
S

W

W

E

R

R

R

A

A

S

I

A

D

E

D

G

G

F

F

T

K

V

P

A

M

E

Y

P

T

G

K

E

D

A

A

V

V

R

A

G

I

A

A

D

D

L

I

V

I

A

V

V

F

L

L

T

V

P

P

D
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D

M
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M

V
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V

Q
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Q

P

K

A

S

L

L

Y

W

K

L

E

N

S

S

I

V

E

K

P

D

N

F

I

M

K

K

A

K

G

G

A

A

A

D

L

L

L

V

F

F

A

A

H

H

G

G

F

F

N

N

V

I

H

H

F

F

K

K

Q

I

I

I

A

E

P

P

R

P

E

K

D

D

I

S

D

D

V

V

I

Y

L

M

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I

A

A

P

P

K

K

G

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G
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G

A

P

L

I

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V

R

R

E

S

Y

Y

E

E

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M

G

G

R

G

G

G

V

V

P

P

S

A

I

L

W

V

A

A

I

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H

Y

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D

N

V

V

T

S

G

G

Q

E

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A

E

L

A

Q

K

K

A

A

K

L

A

A

Y

I

A

A

D

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G

G

I

I

G

G

G

C

G

A

R

R

A

A

L

G

L

V

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T

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F

K

K

E

E

T

T

E

E

T

T

D
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D

L

L

F

F

G

G

E
|
E

Q

Q

A

V

V

I

L

L

C

V

G

G

A

I

S

M

S

E

L

L

V

I

Q

K

A

A

G

S

F

F

E

E

T

T

L

L

V

V

E

E

A

E

G

G

Y

Y

Q

Q

P

P

E

E

I

V

A

A

Y

Y

Y

F

E

E

V

T

L

V

H

N

E

E

L

L

K

K

L

L

I

I

V

V

D

D

L

L

F

I

Y

Y

E

E

G

K

G

G

I

L

A

T

R

G

M

M

L

L

E

R

F

A

V

V

S

S

E

D

T

T

A

A

Q

K

Y

Y

G

G

D

G

Y

I

V

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S

V

G

G

P

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R

F

V

I

I

I

D

D

A

K

G

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D

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M

K

K

D

I

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V

L

L

T

E

D

R

I

I

Q

R

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G

G

T

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F

F

A

A

R

R

N

E

W

W

I

I

A

K

E

E

Y

Y

Q

E

A

R

G

G

L

M

P

P

N

T

Y

V

K

-

R

-

F

F

K

K

Q

E

-

L

A

S

D

E

L

L

E

E

-

G

H

S

P

T

I

I

E

E

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T

V

V

G

G

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K

L

L

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M

M

YGSQ 25:28 (= YGSQ 20:23) binding
R49 (≠ K44) binding
S53 (= S48) binding
DMVQ 83:86 (= DMVQ 78:81) binding
G134 (= G129) binding
D191 (= D186) binding
E195 (= E190) binding

Query Sequence

>N515DRAFT_0568 FitnessBrowser__Dyella79:N515DRAFT_0568
MSSTTSNPTLANARIAVLGYGSQGRAHALNLRDSGLDVVVGLRKGGPSWERASAEGFTVA
EPGEAVRGADLVAVLTPDMVQPALYKESIEPNIKAGAALLFAHGFNVHFKQIAPREDIDV
ILVAPKGPGALVRREYEIGRGVPSIWAIHQDVTGQAEAKAKAYADGIGGGRALLIKTDFK
EETETDLFGEQAVLCGGASSLVQAGFETLVEAGYQPEIAYYEVLHELKLIVDLFYEGGIA
RMLEFVSETAQYGDYVSGPRVIDAGTKARMKDVLTDIQDGTFARNWIAEYQAGLPNYKRF
KQADLEHPIEQVGAKLRARMSWLQAGAAKAAGEPLKKVG

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