SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 351602 FitnessBrowser__Btheta:351602 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)

P78827 Probable ketol-acid reductoisomerase, mitochondrial; Acetohydroxy-acid reductoisomerase; Alpha-keto-beta-hydroxylacyl reductoisomerase; EC 1.1.1.86 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
57% identity, 97% coverage: 11:359/359 of query aligns to 53:402/404 of P78827

query
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P78827

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S261 (= S218) modified: Phosphoserine

7tocA Crystal structure of the mitochondrial ketol-acid reductoisomerase ilvc from candida auris
61% identity, 97% coverage: 11:358/359 of query aligns to 10:358/359 of 7tocA

query
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7tocA

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binding magnesium ion: K161 (= K161), D219 (= D219), D219 (= D219), E223 (= E223)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G48 (= G49), G50 (= G51), S51 (≠ V52), Q52 (= Q53), R72 (= R73), S77 (≠ T77), L108 (= L108), L109 (= L109), S110 (= S110), D111 (= D111), A113 (= A113), E116 (≠ S116), H135 (= H135), G162 (= G162), S163 (= S163), S281 (= S281), T282 (= T282), Y328 (= Y328), R329 (= R329)

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)
42% identity, 69% coverage: 40:287/359 of query aligns to 15:257/344 of C8WR67

query
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C8WR67

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YGSQ 25:28 (≠ YGVQ 50:53) binding
R48 (= R73) binding ; mutation to P: Inversion of the cofactor specificity from NADPH to NADH.
S52 (≠ T77) binding ; mutation to D: Inversion of the cofactor specificity from NADPH to NADH.
DERQ 82:85 (≠ DAAV 111:114) binding
G133 (= G164) binding
D190 (= D219) binding
E194 (= E223) binding
E226 (= E255) binding

4tskA Ketol-acid reductoisomerase from alicyclobacillus acidocaldarius (see paper)
42% identity, 69% coverage: 40:287/359 of query aligns to 14:256/333 of 4tskA

query
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4tskA

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active site: K129 (= K161), D189 (= D219), E193 (= E223)
binding magnesium ion: D189 (= D219), D189 (= D219), E193 (= E223), E193 (= E223), R246 (≠ Y277), Y247 (≠ A278), I249 (≠ C280), D251 (≠ T282), Q254 (= Q285)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y50), G25 (= G51), S26 (≠ V52), Q27 (= Q53), L46 (≠ Q72), R47 (= R73), S51 (≠ T77), L78 (= L108), L79 (= L109), P80 (≠ S110), D81 (= D111), H106 (= H135), P131 (≠ S163)

7q03A Ketol-acid reductoisomerase from methanothermococcus thermolithotrophicus in the close state with NADP and mg2+ (see paper)
41% identity, 70% coverage: 38:289/359 of query aligns to 12:259/328 of 7q03A

query
sites
7q03A

E

D

V

A

L

V

K

K

N

D

E

K

T

T

I

I

A

A

V

V

I

I

G

G

Y
|
Y

G
|
G

V
x
S

Q
|
Q

G

G

P

R

G

A

Q

Q

A

S

L

L

N

N

L

M

R

K

D

D

N

S

G

G

F

L

N

K

V

V

I

V

V

V

G

G

Q

L

R
|
R

-

P

Q

N

G

G

K

A

T
x
S

Y

W

D

N

K

K

A

A

V

K

A

E

D

D

G

G

W

-

V

-

P

-

G

-

E

H

T

E

L

V

F

L

G

S

I

I

E

E

A

A

C

A

E

E

K

K

G

A

T

D

I

I

M

H

C

I

L
|
L

L
x
I

S
x
P

D
|
D

A

E

A
x
I

V

Q

M

G

S

D

V

V

W

Y

-

N

P

K

T

Q

I

I

K

K

P

P

Y

Y

L

L

T

K

A

E

G

G

K

K

A

T

L

L

Y

S

F

F

S

S

H
|
H

G

G

F

Y

A

N

I

I

T

H

W

Y

S

G

D

Y

R

-

T

-

G

-

V

I

V

V

P

P

A

E

D

G

I

V

D

N

V

V

I

V

M

M

V

V

A

A

P

P

K

K

G

S

S
x
P

G

G

T

A

S

M

L

V

R

R

T

R

M

T

F

Y

L

E

E

E

G

G

R

F

G

G

L

V

N

P

S

G

S

L

Y

V

A

C

I

V

Y

E

Q

K

D

D

A

A

T

T

G

G

N

D

A

A

M

L

D

D

R

-

T

-

I

I

A

A

L

L

G

G

I

M

G

A

I

K

G

G

S

V

G

G

Y

L

-

T

-

R

-

A

-

G

L

V

F

I

E

Q

T

T

F

F

I

R

R

E

E

E

A

T

T

E

S

T

D
|
D

L

L

T

F

G

G

E
|
E

R

Q

G

A

S

V

L

L

M

C

G

G

A

G

I

V

Q

T

G

E

L

L

L

I

L

K

A

A

Q

G

Y

F

E

E

V

T

L

L

R

V

E

E

N

A

G

G

H

Y

T

S

P

P

S

E

E

M

A

A

F

Y

N

F

E

E

T

T

V

C

E

H

E

E

L

L

T

-

Q

K

S

L

L

I

M

I

P

D

L

L

F

I

A

Y

K

Q

N

K

G

G

M

F

D

A

W

G

M

M

Y

W

A

N

N

D

C

V

S

S

T

N

T

T

A

A

Q

E

R

Y

G

G

A

G

L

L

binding magnesium ion: D190 (= D219), E194 (= E223)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y50), G25 (= G51), S26 (≠ V52), Q27 (= Q53), R47 (= R73), S52 (≠ T77), L79 (= L108), I80 (≠ L109), P81 (≠ S110), D82 (= D111), I84 (≠ A113), H107 (= H135), P132 (≠ S163)

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)
35% identity, 89% coverage: 38:355/359 of query aligns to 13:322/335 of E0SRA9

query
sites
E0SRA9

E

E

V

P

L

I

K

K

N

N

E

K

T

T

I

I

A

A

V

I

I

L

G

G

Y
|
Y

G
|
G

V
x
S

Q
|
Q

G

G

P

R

G

A

Q

W

A

A

L

L

N

N

L

L

R

R

D

D

N

S

G

G

F

L

N

N

V

V

I

V

V

V

G

G

-

L

Q

E

R
|
R

Q

Q

G

G

K

D

T
x
S

Y

W

D

R

K

R

A

A

V

I

A

D

D

D

G

G

W

F

V

K

P

P

G

M

E

Y

T

T

L

-

F

-

G

-

I

-

E

K

E

D

A

A

C

V

E

A

K

I

G

A

T

D

I

I

M

V

C

F

L

L

L

V

S

P

D
|
D

A
x
M

A
x
V

V
x
Q

M

K

S

S

V

L

W

W

-

L

P

N

T

S

I

V

K

K

P

D

Y

F

L

M

T

K

A

K

G

G

K

A

A

D

L

L

Y

V

F

F

S

A

H

H

G

G

F

F

A

N

I

I

T

H

W

F

S

K

D

I

R

-

T

-

G

-

V

I

V

E

P

P

A

K

D

D

I

S

D

D

V

V

I

Y

M

M

V

I

A

A

P

P

K

K

G

S

S

P

G
|
G

T

P

S

I

L

V

R

R

T

R

M

S

F

Y

L

E

E

M

G

G

R

G

G

G

L

V

N

P

S

A

S

L

Y

V

A

A

I

V

Y

Y

Q

Q

D

N

A

V

T

S

G

G

N

E

A

A

M

L

D

Q

R

K

T

A

I

L

A

A

L

I

G

A

I

K

G

G

I

I

G

G

S

C

G

A

Y

R

-

A

-

G

L

V

F

I

E

E

T

S

T

T

F

F

I

K

R

E

E

E

A

T

T

E

S

T

D
|
D

L

L

T

F

G

G

E
|
E

R

Q

G

V

S

I

L

L

M

V

G

G

A

G

I

I

Q

M

G

E

L

L

L

I

L

K

A

A

Q

S

Y

F

E

E

V

T

L

L

R

V

E

E

N

E

G

G

H

Y

T

Q

P

P

S

E

E

V

A

A

F

Y

N

F

E

E

T

T

V

V

E

N

E

E

L

L

T

-

Q

K

S

L

L

I

M

V

P

D

L

L

F

I

A

Y

K

E

N

K

G

G

M

L

D

T

W

G

M

M

Y

L

A

R

N

A

C

V

S

S

T

D

T

T

A

A

Q

K

R

Y

G

G

A

G

L

I

D

T

W

-

M

V

G

G

P

K

F

F

-

I

-

D

-

K

-

S

-

V

H

R

D

D

A

K

I

M

K

K

P

I

V

V

V

L

E

E

K

R

L

-

Y

-

H

-

S

-

V

I

K

R

T

S

G

G

N

E

E

F

A

A

Q

R

I

E

S

W

I

I

D

-

S

-

N

-

S

-

K

-

P

K

D

E

Y

Y

R

E

E

R

K

G

L

M

E

P

E

T

E

V

L

F

K

K

A

E

L

L

R

S

E

E

S

L

E

E

M

G

W

S

Q

T

T

I

A

E

V

T

T

V

V

G

R

R

K

K

L

L

R

R

YGSQ 25:28 (≠ YGVQ 50:53) binding
R49 (= R73) binding
S53 (≠ T77) binding
DMVQ 83:86 (≠ DAAV 111:114) binding
G134 (= G164) binding
D191 (= D219) binding
E195 (= E223) binding

5e4rA Crystal structure of domain-duplicated synthetic class ii ketol-acid reductoisomerase 2ia_kari-dd (see paper)
35% identity, 89% coverage: 38:355/359 of query aligns to 12:321/466 of 5e4rA

query
sites
5e4rA

E

E

V

P

L

I

K

K

N

N

E

K

T

T

I

I

A

A

V

I

I

L

G

G

Y

Y

G
|
G

V
x
S

Q
|
Q

G

G

P

R

G

A

Q

W

A

A

L

L

N

N

L

L

R

R

D

D

N

S

G

G

F

L

N

N

V

V

I

V

V

V

G

G

-

L

Q

E

R

R

Q

Q

G

G

K

D

T
x
S

Y

W

D

R

K

R

A

A

V

I

A

D

D

D

G

G

W

F

V

K

P

P

G

M

E

Y

T

T

L

-

F

-

G

-

I

-

E

K

E

D

A

A

C

V

E

A

K

I

G

A

T

D

I

I

M

V

C

F

L
|
L

L
x
V

S
x
P

D
|
D

A

M

A
x
V

V

Q

M

K

S

S

V

L

W

W

-

L

P

N

T

S

I

V

K

K

P

D

Y

F

L

M

T

K

A

K

G

G

K

A

A

D

L

L

Y

V

F

F

S
x
A

H
|
H

G

G

F

F

A

N

I

I

T

H

W

F

S

K

D

I

R

-

T

-

G

-

V

I

V

E

P

P

A

K

D

D

I

S

D

D

V

V

I

Y

M

M

V

I

A

A

P

P

K
|
K

G

S

S
x
P

G

G

T

P

S

I

L

V

R

R

T

R

M

S

F

Y

L

E

E

M

G

G

R

G

G

G

L

V

N

P

S

A

S

L

Y

V

A

A

I

V

Y

Y

Q

Q

D

N

A

V

T

S

G

G

N

E

A

A

M

L

D

Q

R

K

T

A

I

L

A

A

L

I

G

A

I

K

G

G

I

I

G

G

S

C

G

A

Y

R

-

A

-

G

L

V

F

I

E

E

T

S

T

T

F

F

I

K

R

E

E

E

A

T

T

E

S

T

D
|
D

L

L

T

F

G

G

E
|
E

R

Q

G

V

S

I

L

L

M

V

G

G

A

G

I

I

Q

M

G

E

L

L

L

I

L

K

A

A

Q

S

Y

F

E

E

V

T

L

L

R

V

E

E

N

E

G

G

H

Y

T

Q

P

P

S

E

E

V

A

A

F

Y

N

F

E

E

T

T

V

V

E

N

E

E

L

L

T

-

Q

K

S

L

L

I

M

V

P

D

L

L

F

I

A

Y

K

E

N

K

G

G

M

L

D

T

W

G

M

M

Y

L

A

R

N

A

C

V

S

S

T

D

T

T

A

A

Q

K

R

Y

G

G

A

G

L

I

D

T

W

-

M

V

G

G

P

K

F

F

-

I

-

D

-

K

-

S

-

V

H

R

D

D

A

K

I

M

K

K

P

I

V

V

V

L

E

E

K

R

L

-

Y

-

H

-

S

-

V

I

K

R

T

S

G

G

N

E

E

F

A

A

Q

R

I

E

S

W

I

I

D

-

S

-

N

-

S

-

K

-

P

K

D

E

Y

Y

R

E

E

R

K

G

L

M

E

P

E

T

E

V

L

F

K

K

A

E

L

L

R

S

E

E

S

L

E

E

M

G

W

S

Q

T

T

I

A

E

V

T

T

V

V

G

R

R

K

K

L

L

R

R

active site: K130 (= K161), D190 (= D219), E194 (= E223)
binding oxo(propan-2-ylamino)acetic acid: P132 (≠ S163), D190 (= D219), E194 (= E223)
binding magnesium ion: D190 (= D219), E194 (= E223)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G25 (= G51), S26 (≠ V52), Q27 (= Q53), S52 (≠ T77), L79 (= L108), V80 (≠ L109), P81 (≠ S110), D82 (= D111), V84 (≠ A113), A106 (≠ S134), H107 (= H135), P132 (≠ S163)

Sites not aligning to the query:

4xdzA Holo structure of ketol-acid reductoisomerase from ignisphaera aggregans (see paper)
35% identity, 89% coverage: 38:355/359 of query aligns to 12:321/328 of 4xdzA

query
sites
4xdzA

E

E

V

P

L

I

K

K

N

N

E

K

T

T

I

I

A

A

V

I

I

L

G
|
G

Y

Y

G
|
G

V
x
S

Q
|
Q

G

G

P

R

G

A

Q

W

A

A

L

L

N

N

L

L

R

R

D

D

N

S

G

G

F

L

N

N

V

V

I

V

V

V

G

G

-

L

Q
x
E

R
|
R

Q

Q

G

G

K

D

T
x
S

Y

W

D

R

K

R

A

A

V

I

A

D

D

D

G

G

W

F

V

K

P

P

G

M

E

Y

T

T

L

-

F

-

G

-

I

-

E

K

E

D

A

A

C

V

E

A

K

I

G

A

T

D

I

I

M

V

C

F

L
|
L

L
x
V

S
x
P

D
|
D

A

M

A
x
V

V

Q

M

K

S

S

V

L

W

W

-

L

P

N

T

S

I

V

K

K

P

D

Y

F

L

M

T

K

A

K

G

G

K

A

A

D

L

L

Y

V

F

F

S
x
A

H
|
H

G

G

F

F

A

N

I

I

T

H

W

F

S

K

D

I

R

-

T

-

G

-

V

I

V

E

P

P

A

K

D

D

I

S

D

D

V

V

I

Y

M

M

V

I

A

A

P

P

K
|
K

G

S

S
x
P

G

G

T

P

S

I

L

V

R

R

T

R

M

S

F

Y

L

E

E

M

G

G

R

G

G

G

L

V

N

P

S

A

S

L

Y

V

A

A

I

V

Y

Y

Q

Q

D

N

A

V

T

S

G

G

N

E

A

A

M

L

D

Q

R

K

T

A

I

L

A

A

L

I

G

A

I

K

G

G

I

I

G

G

S

C

G

A

Y

R

-

A

-

G

L

V

F

I

E

E

T

S

T

T

F

F

I

K

R

E

E

E

A

T

T

E

S

T

D
|
D

L

L

T

F

G

G

E
|
E

R

Q

G

V

S

I

L
|
L

M

V

G

G

A

G

I

I

Q

M

G

E

L

L

L

I

L

K

A

A

Q

S

Y

F

E

E

V

T

L

L

R

V

E

E

N

E

G

G

H

Y

T

Q

P

P

S

E

E

V

A

A

F

Y

N

F

E

E

T

T

V

V

E

N

E
|
E

L

L

T

-

Q

K

S

L

L

I

M

V

P

D

L

L

F

I

A

Y

K

E

N

K

G

G

M

L

D

T

W

G

M

M

Y

L

A

R

N

A

C
x
V

S
|
S

T

D

T

T

A
|
A

Q

K

R

Y

G

G

A

G

L

I

D

T

W

-

M

V

G

G

P

K

F

F

-

I

-

D

-

K

-

S

-

V

H

R

D

D

A

K

I

M

K

K

P

I

V

V

V

L

E

E

K

R

L

-

Y

-

H

-

S

-

V

I

K

R

T

S

G

G

N

E

E

F

A

A

Q

R

I

E

S

W

I

I

D

K

S

-

N

-

S

-

K

-

P

-

D

E

Y

Y

R

E

E

R

K

G

L

M

E

P

E

T

E

V

L

F

K

K

A

E

L

L

R

S

E

E

S

L

E

E

M

G

W

S

Q

T

T

I

A

E

V

T

T

V

V

G

R

R

K

K

L

L

R

R

active site: K130 (= K161), D190 (= D219), E194 (= E223)
binding oxo(propan-2-ylamino)acetic acid: P132 (≠ S163), D190 (= D219), E194 (= E223), L198 (= L227), E230 (= E259), V250 (≠ C280), S251 (= S281), A254 (= A284)
binding magnesium ion: D190 (= D219), E194 (= E223)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G23 (= G49), G25 (= G51), S26 (≠ V52), Q27 (= Q53), E47 (≠ Q72), R48 (= R73), S52 (≠ T77), L79 (= L108), V80 (≠ L109), P81 (≠ S110), D82 (= D111), V84 (≠ A113), A106 (≠ S134), H107 (= H135), P132 (≠ S163)

6bulB Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 2
36% identity, 89% coverage: 38:355/359 of query aligns to 12:320/327 of 6bulB

query
sites
6bulB

E

D

V

A

L

L

K

Q

N

G

E

K

T

K

I

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

V
x
S

Q
|
Q

G

G

P

H

G

A

Q

H

A

A

L

Q

N

N

L

L

R

K

D

D

N

N

G

G

F

Y

N

D

V

V

I

V

V

I

G

G

Q
x
I

R
|
R

Q

P

G

G

K

R

T
x
S

Y

F

D

D

K

K

A

A

V

K

A

E

D

D

G

G

W

F

V

-

P

-

G

-

E

-

T

D

L

V

F

F

G

P

I

V

E

A

E

E

A

A

C

V

E

K

K

Q

G

A

T

D

I

V

I

I

M

M

C

V

L
|
L

S
x
P

D
|
D

A

E

A

I

V

Q

M

G

S

D

V

V

W

Y

P

K

T

N

-

E

I

I

K

E

P

P

Y

N

L

L

T

E

A

K

G

H

K

N

A

A

L

L

Y

A

F

F

S

A

H
|
H

G

G

F

F

A

N

I

I

T

H

W

F

S

-

D

-

R

-

T

-

G

G

V

V

V

I

-

Q

P

P

A

A

D

D

I

V

D

D

V

V

I

F

M

L

V

V

A

A

P

P

K
|
K

G

G

S
x
P

G

G

T

H

S

L

L

V

R

R

T

R

M

T

F

F

L

V

E

E

G

G

R

S

G

A

L

V

N

P

S

S

S

L

Y

F

A

G

I

I

Y

Q

Q

Q

D

D

A

A

T

S

G

G

N

Q

A

A

M

-

D

-

R

R

T

N

I

I

A

A

L

L

-

S

-

Y

-

A

-

K

G

G

I

I

G

G

I

A

G

T

S

R

G

A

Y

G

L

V

F

I

E

E

T

T

F

F

I

K

R

E

E

E

A

T

T

E

S

T

D
|
D

L

L

T

F

G

G

E
|
E

R

Q

G

A

S

V

L

L

M

C

G

G

A

G

I

V

Q

S

G

K

L

L

L

I

L

Q

A

S

Q

G

Y

F

E

E

V

T

L

L

R

V

E

E

N

A

G

G

H

Y

T

Q

P

P

S

E

E

L

A

A

F

Y

N

F

E

E

T

V

V

L

E

H

E
|
E

L

M

T

-

Q

K

S

L

L
x
I

M

V

P

D

L

L

F

M

A

Y

K

E

N

G

G

G

M

M

D

E

W

N

M

V

Y

R

A

Y

N
x
S

C
x
I

S
|
S

T

N

T

T

A
|
A

Q

E

R

F

G

G

A

-

L

-

D

D

W

Y

M

V

-

S

G

G

P

P

-

R

-

V

F

I

H

T

D

P

A

D

I

V

K

K

P

E

V

N

V

M

E

K

K

A

L

V

Y

L

H

T

S

D

V

I

K

Q

T

N

G

G

N

N

E

F

A

S

Q

N

I

R

S

F

I

I

D

E

S

D

N

N

S

-

K

-

P

-

D

-

Y

-

R

K

E

N

K

G

L

F

E

K

E

E

E

F

L

Y

K

K

A

L

L

R

R

E

E

E

S

Q

E

H

M

G

W

H

Q

Q

T

I

A

E

V

K

T

V

V

G

R

R

K

E

L

L

R

R

active site: K129 (= K161), D189 (= D219), E193 (= E223)
binding {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid: P131 (≠ S163), D189 (= D219), E193 (= E223), E229 (= E259), I233 (≠ L264), I249 (≠ C280), S250 (= S281), A253 (= A284)
binding oxo{[(1S)-1-phenylethyl]amino}acetic acid: P131 (≠ S163), D189 (= D219), E193 (= E223), E229 (= E259), I233 (≠ L264), I249 (≠ C280), S250 (= S281), A253 (= A284)
binding magnesium ion: D189 (= D219), E193 (= E223)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y50), G25 (= G51), S26 (≠ V52), Q27 (= Q53), I46 (≠ Q72), R47 (= R73), S51 (≠ T77), L78 (= L108), L79 (= L109), P80 (≠ S110), D81 (= D111), H106 (= H135), P131 (≠ S163), S248 (≠ N279), I249 (≠ C280), S250 (= S281)

6vo2A Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex with mg, NADPH and inhibitor. (see paper)
36% identity, 89% coverage: 38:355/359 of query aligns to 12:320/326 of 6vo2A

query
sites
6vo2A

E

D

V

A

L

L

K

Q

N

G

E

K

T

K

I

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

V
x
S

Q
|
Q

G

G

P

H

G

A

Q

H

A

A

L

Q

N

N

L

L

R

K

D

D

N

N

G

G

F

Y

N

D

V

V

I

V

V

I

G

G

Q
x
I

R
|
R

Q

P

G

G

K

R

T
x
S

Y

F

D

D

K

K

A

A

V

K

A

E

D

D

G

G

W

F

V

-

P

-

G

-

E

-

T

D

L

V

F

F

G

P

I

V

E

A

E

E

A

A

C

V

E

K

K

Q

G

A

T

D

I

V

I

I

M

M

C

V

L
|
L

S
x
P

D
|
D

A

E

A

I

V

Q

M

G

S

D

V

V

W

Y

P

K

T

N

-

E

I

I

K

E

P

P

Y

N

L

L

T

E

A

K

G

H

K

N

A

A

L

L

Y

A

F

F

S

A

H
|
H

G

G

F

F

A

N

I

I

T

H

W

F

S

-

D

-

R

-

T

-

G

G

V

V

V

I

-

Q

P

P

A

A

D

D

I

V

D

D

V

V

I

F

M

L

V

V

A

A

P

P

K

K

G
|
G

S
x
P

G

G

T

H

S

L

L

V

R

R

T

R

M

T

F

F

L

V

E

E

G

G

R

S

G

A

L

V

N

P

S

S

S

L

Y

F

A

G

I

I

Y

Q

Q

Q

D

D

A

A

T

S

G

G

N

Q

A

A

M

-

D

-

R

R

T

N

I

I

A

A

L

L

-

S

-

Y

-

A

-

K

G

G

I

I

G

G

I

A

G

T

S

R

G

A

Y

G

L

V

F

I

E

E

T

T

F

F

I

K

R

E

E

E

A

T

T

E

S

T

D
|
D

L

L

T

F

G

G

E
|
E

R

Q

G

A

S

V

L

L

M

C

G

G

A

G

I

V

Q

S

G

K

L

L

L

I

L

Q

A

S

Q

G

Y

F

E

E

V

T

L

L

R

V

E

E

N

A

G

G

H

Y

T

Q

P

P

S

E

E

L

A

A

F

Y

N

F

E

E

T

V

V

L

E

H

E
|
E

L

M

T

-

Q

K

S

L

L

I

M

V

P

D

L

L

F

M

A

Y

K

E

N

G

G

G

M

M

D

E

W

N

M

V

Y

R

A

Y

N

S

C
x
I

S
|
S

T

N

T

T

A
|
A

Q

E

R

F

G

G

A

-

L

-

D

D

W

Y

M

V

-

S

G

G

P

P

-

R

-

V

F

I

H

T

D

P

A

D

I

V

K

K

P

E

V

N

V

M

E

K

K

A

L

V

Y

L

H

T

S

D

V

I

K

Q

T

N

G

G

N

N

E

F

A

S

Q

N

I

R

S

F

I

I

D

E

S

D

N

N

S

-

K

-

P

-

D

-

Y

-

R

K

E

N

K

G

L

F

E

K

E

E

E

F

L

Y

K

K

A

L

L

R

R

E

E

E

S

Q

E

H

M

G

W

H

Q

Q

T

I

A

E

V

K

T

V

V

G

R

R

K

E

L

L

R

R

binding magnesium ion: D189 (= D219), E193 (= E223)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y50), G25 (= G51), S26 (≠ V52), Q27 (= Q53), I46 (≠ Q72), R47 (= R73), S51 (≠ T77), L78 (= L108), L79 (= L109), P80 (≠ S110), D81 (= D111), H106 (= H135), P131 (≠ S163), I249 (≠ C280), S250 (= S281)
binding 3-(methylsulfonyl)-2-oxopropanoic acid: G130 (= G162), P131 (≠ S163), D189 (= D219), E193 (= E223), E229 (= E259), I249 (≠ C280), S250 (= S281), A253 (= A284)

6c5nA Crystal structure of staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1
36% identity, 89% coverage: 38:355/359 of query aligns to 12:320/326 of 6c5nA

query
sites
6c5nA

E

D

V

A

L

L

K

Q

N

G

E

K

T

K

I

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

V
x
S

Q
|
Q

G

G

P

H

G

A

Q

H

A

A

L

Q

N

N

L

L

R

K

D

D

N

N

G

G

F

Y

N

D

V

V

I

V

V

I

G

G

Q
x
I

R
|
R

Q

P

G

G

K

R

T
x
S

Y

F

D

D

K

K

A

A

V

K

A

E

D

D

G

G

W

F

V

-

P

-

G

-

E

-

T

D

L

V

F

F

G

P

I

V

E

A

E

E

A

A

C

V

E

K

K

Q

G

A

T

D

I

V

I

I

M

M

C

V

L
|
L

S
x
P

D
|
D

A

E

A

I

V

Q

M

G

S

D

V

V

W

Y

P

K

T

N

-

E

I

I

K

E

P

P

Y

N

L

L

T

E

A

K

G

H

K

N

A

A

L

L

Y

A

F

F

S

A

H
|
H

G

G

F

F

A

N

I

I

T

H

W

F

S

-

D

-

R

-

T

-

G

G

V

V

V

I

-

Q

P

P

A

A

D

D

I

V

D

D

V

V

I

F

M

L

V

V

A

A

P

P

K
|
K

G

G

S
x
P

G

G

T

H

S

L

L

V

R

R

T

R

M

T

F

F

L

V

E

E

G

G

R

S

G

A

L

V

N

P

S

S

S

L

Y

F

A

G

I

I

Y

Q

Q

Q

D

D

A

A

T

S

G

G

N

Q

A

A

M

-

D

-

R

R

T

N

I

I

A

A

L

L

-

S

-

Y

-

A

-

K

G

G

I

I

G

G

I

A

G

T

S

R

G

A

Y

G

L

V

F

I

E

E

T

T

F

F

I

K

R

E

E

E

A

T

T

E

S

T

D
|
D

L

L

T

F

G

G

E
|
E

R

Q

G

A

S

V

L

L

M
x
C

G

G

A

G

I

V

Q

S

G

K

L

L

L

I

L

Q

A

S

Q

G

Y

F

E

E

V

T

L

L

R

V

E

E

N

A

G

G

H

Y

T

Q

P

P

S

E

E

L

A

A

F

Y

N

F

E

E

T

V

V

L

E

H

E
|
E

L

M

T

-

Q

K

S

L

L
x
I

M

V

P

D

L

L

F

M

A

Y

K

E

N

G

G

G

M

M

D

E

W

N

M

V

Y

R

A

Y

N
x
S

C
x
I

S
|
S

T

N

T

T

A
|
A

Q

E

R

F

G

G

A

-

L

-

D

D

W

Y

M

V

-

S

G

G

P

P

-

R

-

V

F

I

H

T

D

P

A

D

I

V

K

K

P

E

V

N

V

M

E

K

K

A

L

V

Y

L

H

T

S

D

V

I

K

Q

T

N

G

G

N

N

E

F

A

S

Q

N

I

R

S

F

I

I

D

E

S

D

N

N

S

-

K

-

P

-

D

-

Y

-

R

K

E

N

K

G

L

F

E

K

E

E

E

F

L

Y

K

K

A

L

L

R

R

E

E

E

S

Q

E

H

M

G

W

H

Q

Q

T

I

A

E

V

K

T

V

V

G

R

R

K

E

L

L

R

R

active site: K129 (= K161), D189 (= D219), E193 (= E223)
binding (cyclopentylamino)(oxo)acetic acid: P131 (≠ S163), D189 (= D219), E193 (= E223), C198 (≠ M228), E229 (= E259), I233 (≠ L264), I249 (≠ C280), S250 (= S281), A253 (= A284)
binding [cyclopentyl(hydroxy)amino](oxo)acetic acid: P131 (≠ S163), D189 (= D219), E193 (= E223), C198 (≠ M228), E229 (= E259), I249 (≠ C280), S250 (= S281), A253 (= A284)
binding magnesium ion: D189 (= D219), E193 (= E223)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y50), G25 (= G51), S26 (≠ V52), Q27 (= Q53), I46 (≠ Q72), R47 (= R73), S51 (≠ T77), L78 (= L108), L79 (= L109), P80 (≠ S110), D81 (= D111), H106 (= H135), P131 (≠ S163), S248 (≠ N279), I249 (≠ C280), S250 (= S281)

6c55A Crystal structure of staphylococcus aureus ketol-acid reductosimerrase with hydroxyoxamate inhibitor 3
36% identity, 89% coverage: 38:355/359 of query aligns to 12:320/326 of 6c55A

query
sites
6c55A

E

D

V

A

L

L

K

Q

N

G

E

K

T

K

I

I

A

A

V

V

I

V

G

G

Y

Y

G
|
G

V
x
S

Q
|
Q

G

G

P

H

G

A

Q

H

A

A

L

Q

N

N

L

L

R

K

D

D

N

N

G

G

F

Y

N

D

V

V

I

V

V

I

G

G

Q
x
I

R
|
R

Q

P

G

G

K

R

T
x
S

Y

F

D

D

K

K

A

A

V

K

A

E

D

D

G

G

W

F

V

-

P

-

G

-

E

-

T

D

L

V

F

F

G

P

I

V

E

A

E

E

A

A

C

V

E

K

K

Q

G

A

T

D

I

V

I

I

M

M

C

V

L

L

L
|
L

S
x
P

D
|
D

A

E

A
x
I

V

Q

M

G

S

D

V

V

W

Y

P

K

T

N

-

E

I

I

K

E

P

P

Y

N

L

L

T

E

A

K

G

H

K

N

A

A

L

L

Y

A

F

F

S

A

H
|
H

G

G

F

F

A

N

I

I

T

H

W

F

S

-

D

-

R

-

T

-

G

G

V

V

V

I

-

Q

P

P

A

A

D

D

I

V

D

D

V

V

I

F

M

L

V

V

A

A

P

P

K
|
K

G

G

S
x
P

G

G

T

H

S

L

L

V

R

R

T

R

M

T

F

F

L

V

E

E

G

G

R

S

G

A

L

V

N

P

S

S

S

L

Y

F

A

G

I

I

Y

Q

Q

Q

D

D

A

A

T

S

G

G

N

Q

A

A

M

-

D

-

R

R

T

N

I

I

A

A

L

L

-

S

-

Y

-

A

-

K

G

G

I

I

G

G

I

A

G

T

S

R

G

A

Y

G

L

V

F

I

E

E

T

T

F

F

I

K

R

E

E

E

A

T

T

E

S

T

D
|
D

L

L

T

F

G

G

E
|
E

R

Q

G

A

S

V

L

L

M
x
C

G

G

A

G

I

V

Q

S

G

K

L

L

L

I

L

Q

A

S

Q

G

Y

F

E

E

V

T

L

L

R

V

E

E

N

A

G

G

H

Y

T

Q

P

P

S

E

E

L

A

A

F

Y

N

F

E

E

T

V

V

L

E

H

E

E

L

M

T

-

Q

K

S

L

L

I

M

V

P

D

L

L

F

M

A

Y

K

E

N

G

G

G

M

M

D

E

W

N

M

V

Y

R

A

Y

N
x
S

C
x
I

S
|
S

T

N

T

T

A
|
A

Q

E

R

F

G

G

A

-

L

-

D

D

W

Y

M

V

-

S

G

G

P

P

-

R

-

V

F

I

H

T

D

P

A

D

I

V

K

K

P

E

V

N

V

M

E

K

K

A

L

V

Y

L

H

T

S

D

V

I

K

Q

T

N

G

G

N

N

E

F

A

S

Q

N

I

R

S

F

I

I

D

E

S

D

N

N

S

-

K

-

P

-

D

-

Y

-

R

K

E

N

K

G

L

F

E

K

E

E

E

F

L

Y

K

K

A

L

L

R

R

E

E

E

S

Q

E

H

M

G

W

H

Q

Q

T

I

A

E

V

K

T

V

V

G

R

R

K

E

L

L

R

R

active site: K129 (= K161), D189 (= D219), E193 (= E223)
binding [cyclohexyl(hydroxy)amino](oxo)acetic acid: P131 (≠ S163), D189 (= D219), E193 (= E223), C198 (≠ M228)
binding (cyclohexylamino)(oxo)acetic acid: P131 (≠ S163), D189 (= D219), E193 (= E223), C198 (≠ M228), I249 (≠ C280), S250 (= S281), A253 (= A284)
binding magnesium ion: D189 (= D219), E193 (= E223)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G25 (= G51), S26 (≠ V52), Q27 (= Q53), I46 (≠ Q72), R47 (= R73), S51 (≠ T77), L79 (= L109), P80 (≠ S110), D81 (= D111), I83 (≠ A113), H106 (= H135), S248 (≠ N279), S250 (= S281)

6aqjA Crystal structures of staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity. (see paper)
36% identity, 89% coverage: 38:355/359 of query aligns to 12:320/326 of 6aqjA

query
sites
6aqjA

E

D

V

A

L

L

K

Q

N

G

E

K

T

K

I

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

V
x
S

Q
|
Q

G

G

P

H

G

A

Q

H

A

A

L

Q

N

N

L

L

R

K

D

D

N

N

G

G

F

Y

N

D

V

V

I

V

V

I

G

G

Q
x
I

R
|
R

Q

P

G

G

K

R

T
x
S

Y

F

D

D

K

K

A

A

V

K

A

E

D

D

G

G

W

F

V

-

P

-

G

-

E

-

T

D

L

V

F

F

G

P

I

V

E

A

E

E

A

A

C

V

E

K

K

Q

G

A

T

D

I

V

I

I

M

M

C

V

L
|
L

S
x
P

D
|
D

A

E

A

I

V

Q

M

G

S

D

V

V

W

Y

P

K

T

N

-

E

I

I

K

E

P

P

Y

N

L

L

T

E

A

K

G

H

K

N

A

A

L

L

Y

A

F

F

S

A

H
|
H

G

G

F

F

A

N

I

I

T

H

W

F

S

-

D

-

R

-

T

-

G

G

V

V

V

I

-

Q

P

P

A

A

D

D

I

V

D

D

V

V

I

F

M

L

V

V

A

A

P

P

K
|
K

G

G

S
x
P

G

G

T

H

S

L

L

V

R

R

T

R

M

T

F

F

L

V

E

E

G

G

R

S

G

A

L

V

N

P

S

S

S

L

Y

F

A

G

I

I

Y

Q

Q

Q

D

D

A

A

T

S

G

G

N

Q

A

A

M

-

D

-

R

R

T

N

I

I

A

A

L

L

-

S

-

Y

-

A

-

K

G

G

I

I

G

G

I

A

G

T

S

R

G

A

Y

G

L

V

F

I

E

E

T

T

F

F

I

K

R

E

E

E

A

T

T

E

S

T

D
|
D

L

L

T

F

G

G

E
|
E

R

Q

G

A

S

V

L

L

M

C

G

G

A

G

I

V

Q

S

G

K

L

L

L

I

L

Q

A

S

Q

G

Y

F

E

E

V

T

L

L

R

V

E

E

N

A

G

G

H

Y

T

Q

P

P

S

E

E

L

A

A

F

Y

N

F

E

E

T

V

V

L

E

H

E
|
E

L

M

T

-

Q

K

S

L

L
x
I

M

V

P

D

L

L

F

M

A

Y

K

E

N

G

G

G

M

M

D

E

W

N

M

V

Y

R

A

Y

N

S

C
x
I

S
|
S

T

N

T

T

A
|
A

Q

E

R

F

G

G

A

-

L

-

D

D

W

Y

M

V

-

S

G

G

P

P

-

R

-

V

F

I

H

T

D

P

A

D

I

V

K

K

P

E

V

N

V

M

E

K

K

A

L

V

Y

L

H

T

S

D

V

I

K

Q

T

N

G

G

N

N

E

F

A

S

Q

N

I

R

S

F

I

I

D

E

S

D

N

N

S

-

K

-

P

-

D

-

Y

-

R

K

E

N

K

G

L

F

E

K

E

E

E

F

L

Y

K

K

A

L

L

R

R

E

E

E

S

Q

E

H

M

G

W

H

Q

Q

T

I

A

E

V

K

T

V

V

G

R

R

K

E

L

L

R

R

active site: K129 (= K161), D189 (= D219), E193 (= E223)
binding oxo(propan-2-ylamino)acetic acid: P131 (≠ S163), D189 (= D219), E193 (= E223), E229 (= E259), I233 (≠ L264), I249 (≠ C280), S250 (= S281), A253 (= A284)
binding n-hydroxy-n-isopropyloxamic acid: P131 (≠ S163), D189 (= D219), E193 (= E223), E229 (= E259), I249 (≠ C280), S250 (= S281), A253 (= A284)
binding magnesium ion: D189 (= D219), E193 (= E223)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y50), G25 (= G51), S26 (≠ V52), Q27 (= Q53), I46 (≠ Q72), R47 (= R73), S51 (≠ T77), L78 (= L108), L79 (= L109), P80 (≠ S110), D81 (= D111), H106 (= H135), P131 (≠ S163), I249 (≠ C280), S250 (= S281)

5w3kA Crystal structure of staphylococcus aureus ketol-acid reductoisomerase in complex NADPH, mg2+ and cpd (see paper)
36% identity, 89% coverage: 38:355/359 of query aligns to 12:320/326 of 5w3kA

query
sites
5w3kA

E

D

V

A

L

L

K

Q

N

G

E

K

T

K

I

I

A

A

V

V

I

V

G

G

Y
|
Y

G
|
G

V
x
S

Q
|
Q

G

G

P

H

G

A

Q

H

A

A

L

Q

N

N

L

L

R

K

D

D

N

N

G

G

F

Y

N

D

V

V

I

V

V

I

G

G

Q
x
I

R
|
R

Q

P

G

G

K

R

T
x
S

Y

F

D

D

K

K

A

A

V

K

A

E

D

D

G

G

W

F

V

-

P

-

G

-

E

-

T

D

L

V

F

F

G

P

I

V

E

A

E

E

A

A

C
x
V

E
x
K

K

Q

G
x
A

T

D

I

V

I

I

M

M

C

V

L
|
L

S
x
P

D
|
D

A

E

A

I

V

Q

M

G

S

D

V

V

W

Y

P

K

T

N

-

E

I

I

K

E

P

P

Y

N

L

L

T

E

A

K

G

H

K
x
N

A

A

L

L

Y

A

F

F

S

A

H
|
H

G

G

F

F

A

N

I

I

T

H

W

F

S

-

D

-

R

-

T

-

G

G

V

V

V

I

-

Q

P

P

A

A

D

D

I

V

D

D

V

V

I

F

M

L

V

V

A

A

P

P

K
|
K

G

G

S
x
P

G
|
G

T

H

S

L

L

V

R

R

T

R

M

T

F

F

L

V

E

E

G

G

R

S

G

A

L

V

N

P

S

S

S

L

Y

F

A

G

I

I

Y

Q

Q

Q

D

D

A

A

T

S

G

G

N

Q

A

A

M

-

D

-

R

R

T

N

I

I

A

A

L

L

-

S

-

Y

-

A

-

K

G

G

I

I

G

G

I

A

G

T

S

R

G

A

Y

G

L

V

F

I

E

E

T

T

F

F

I

K

R

E

E

E

A

T

T

E

S

T

D
|
D

L

L

T

F

G

G

E
|
E

R

Q

G

A

S

V

L

L

M

C

G

G

A

G

I

V

Q

S

G

K

L

L

L

I

L

Q

A

S

Q

G

Y

F

E

E

V

T

L

L

R

V

E

E

N

A

G

G

H

Y

T

Q

P

P

S

E

E

L

A

A

F

Y

N

F

E

E

T

V

V

L

E

H

E
|
E

L

M

T

-

Q

K

S

L

L

I

M

V

P

D

L

L

F

M

A

Y

K

E

N

G

G

G

M

M

D

E

W

N

M

V

Y

R

A

Y

N

S

C
x
I

S
|
S

T

N

T

T

A
|
A

Q

E

R

F

G

G

A

-

L

-

D

D

W

Y

M

V

-

S

G

G

P

P

-

R

-

V

F

I

H

T

D

P

A

D

I

V

K

K

P

E

V

N

V

M

E

K

K

A

L

V

Y

L

H

T

S

D

V

I

K

Q

T

N

G

G

N

N

E

F

A

S

Q

N

I

R

S

F

I

I

D

E

S

D

N

N

S

-

K

-

P

-

D

-

Y

-

R

K

E

N

K

G

L

F

E

K

E

E

E

F

L

Y

K

K

A

L

L

R

R

E

E

E

S

Q

E

H

M

G

W

H

Q

Q

T

I

A

E

V

K

T

V

V

G

R

R

K

E

L

L

R

R

active site: K129 (= K161), D189 (= D219), E193 (= E223)
binding cyclopropane-1,1-dicarboxylic acid: D189 (= D219), E193 (= E223), E229 (= E259), I249 (≠ C280), S250 (= S281), A253 (= A284)
binding magnesium ion: V69 (≠ C99), K70 (≠ E100), A72 (≠ G102), N100 (≠ K129), D189 (= D219), E193 (= E223)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: Y24 (= Y50), G25 (= G51), S26 (≠ V52), Q27 (= Q53), I46 (≠ Q72), R47 (= R73), S51 (≠ T77), L78 (= L108), L79 (= L109), P80 (≠ S110), D81 (= D111), H106 (= H135), P131 (≠ S163), G132 (= G164), I249 (≠ C280), S250 (= S281)

3fr8B Rice ketolacid reductoisomerase in complex with mg2+-NADPH (see paper)
32% identity, 92% coverage: 28:359/359 of query aligns to 36:380/517 of 3fr8B

query
sites
3fr8B

R

R

D

N

E

L

F

F

P

P

L

L

E

-

K

-

A

L

R

P

E

E

V

A

L

F

K

K

N

G

-

I

E

K

T

Q

I

I

A

G

V

V

I

I

G

G

Y
x
W

G

G

V
x
S

Q
|
Q

G

G

P

P

G

A

Q

Q

A

A

L

Q

N

N

L

L

R

R

D

D

N

S

-

L

-

A

-

E

-

A

-

K

-

S

G

D

F

I

N

V

V

V

I

K

V

I

G

G

Q

L

R
|
R

Q

K

G

G

-
x
S

K

K

T

S

Y

F

D

D

K

E

A

A

V

R

A

A

D

A

G

G

W

F

V

T

P

E

G

E

E

S

-

G

T

T

L

L

F

G

G

D

I

I

E

W

E

E

A

T

C

V

E

S

K

G

G

S

T

D

I

L

I

V

M

L

C

L

L
|
L

L
x
I

S
|
S

D
|
D

A

A

A
|
A

V

Q

M

A

S

D

V

N

W

Y

P

E

T

K

I

I

K

F

P

S

Y

H

L

M

T

K

A

P

G

N

K

S

A

I

L

L

Y

G

F

L

S
|
S

H
|
H

G

G

F

F

A

L

I

L

T

G

W

H

S

L

D

Q

R

S

T

A

G

G

V

L

V

D

P

F

P

P

A

K

D

N

I

I

D

S

V

V

I

I

M

A

V

V

A

C

P

P

K
|
K

G

G

S
x
M

G
|
G

T

P

S

S

L

V

R

R

T

R

M

L

F

Y

L

V

E

Q

G

G

R

K

-

E

-

I

-

N

-

G

-

A

G

G

L

I

N

N

S

S

Y

F

A

A

I

V

Y

H

Q

Q

D

D

A

V

T

D

G

G

N

R

A

A

M

T

D

D

R

V

T

A

I

L

A

G

L

W

G

S

I

V

G

A

I

L

G

G

S

S

G

P

Y

F

L

T

F

F

E

A

T

T

F

L

I

E

R

Q

E

E

A

Y

T

K

S

S

D
|
D

L

I

T

F

G

G

E
|
E

R

R

G

G

S

I

L

L

M

L

G

G

A

A

I

V

Q

H

G

G

L

I

L

V

L

E

A

A

Q

L

Y

F

E

R

V

R

L

Y

R

T

E

E

N

Q

G

G

H

M

T

D

P

E

S

E

E

M

A

A

F

Y

N

K

E

N

T

T

V

V

E

E

E

G

L

I

T

T

Q

G

S

I

L

I

M

S

P

K

L

T

F

I

A

S

K

K

N

K

G

G

M

M

D

L

W

E

M

V

Y

Y

A

-

N

-

C

-

S

N

T

S

T

L

A

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Q

E

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E

G

G

A

K

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K

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E

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F

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N

G

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A

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H

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D

A

A

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I

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K

Y

P

P

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C

V

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L

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Y

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E

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C

-

Y

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E

-

D

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E

A

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Q

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S

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R

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F

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Y

E

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L

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E

A

-

F

E

P

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G

A

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E

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E

R

M

M

W

W

Q

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V

A

G

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E

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K

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V

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R

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L

T

R

R

P

P

E

E

N

N

N

D

active site: K176 (= K161), D239 (= D219), E243 (= E223)
binding magnesium ion: H150 (= H135), D239 (= D219), E243 (= E223)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: W57 (≠ Y50), S59 (≠ V52), Q60 (= Q53), R86 (= R73), S89 (vs. gap), L123 (= L108), I124 (≠ L109), S125 (= S110), D126 (= D111), A128 (= A113), S149 (= S134), H150 (= H135), M178 (≠ S163), G179 (= G164)

Sites not aligning to the query:

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 442, 513

Q65XK0 Ketol-acid reductoisomerase, chloroplastic; Acetohydroxy-acid reductoisomerase; Alpha-keto-beta-hydroxylacyl reductoisomerase; Protein KARI; EC 1.1.1.86 from Oryza sativa subsp. japonica (Rice) (see paper)
32% identity, 92% coverage: 28:359/359 of query aligns to 94:438/578 of Q65XK0

query
sites
Q65XK0

R

R

D

N

E

L

F

F

P

P

L

L

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-

K

-

A

L

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P

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V

A

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F

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-

I

E

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A
x
G

V
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V

I
|
I

G
|
G

Y
x
W

G
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G

V
x
S

Q
|
Q

G

G

P

P

G

A

Q

Q

A

A

L

Q

N

N

L

L

R

R

D

D

N

S

-

L

-

A

-

E

-

A

-

K

-

S

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D

F

I

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V

V

V

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K

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I

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L

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R

Q
x
K

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G

-
x
S

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K

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x
S

Y

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D

D

K

E

A

A

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R

A

A

D

A

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G

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-

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L

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-

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-

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-

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A

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G

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A

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G

A

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L

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A

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A

A

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P

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C

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D

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L

Y

Y

H

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C

-

Y

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E

-

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K

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G

G

N

S

E

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A

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R

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V

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L

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A

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G

S

R

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F

D

Y

Y

E

R

K

E

E

K

G

L

L

E

P

E

A

-

F

E

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L

M

K

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A

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L

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Q

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R

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M

W

W

Q

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A

G

V

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L

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R

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P

P

E

E

N

N

N

D

111:118 (vs. 46:53, 63% identical) binding
RKGSKS 144:149 (≠ RQG-KT 73:77) binding
SDAAQ 183:187 (≠ SDAAV 110:114) binding

Q64BR7 Ketol-acid reductoisomerase (NAD(+)); KARI; Acetohydroxy-acid isomeroreductase; AHIR; Alpha-keto-beta-hydroxylacyl reductoisomerase; Ketol-acid reductoisomerase type 1; Ketol-acid reductoisomerase type I; EC 1.1.1.382 from Uncultured archaeon GZfos26G2 (see paper)
37% identity, 76% coverage: 39:311/359 of query aligns to 13:284/332 of Q64BR7

query
sites
Q64BR7

V

I

L

L

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A

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Y

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G

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x
A

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Q

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A

A

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N

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D

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-

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A

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-

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K

YGAQ 24:27 (≠ YGVQ 50:53) binding
E46 (≠ Q72) binding
N55 (≠ G75) binding
S57 (≠ T77) binding
DEVQ 87:90 (≠ DAAV 111:114) binding
G138 (= G164) binding
D195 (= D219) binding
E199 (= E223) binding

4xdyA Structure of nadh-preferring ketol-acid reductoisomerase from an uncultured archean (see paper)
37% identity, 76% coverage: 39:311/359 of query aligns to 13:284/331 of 4xdyA

query
sites
4xdyA

V

I

L

L

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A

A

V

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G
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G

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x
A

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Q

G

G

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A

Q

Q

A

A

L

N

N

C

L

L

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D

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N

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V

I

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x
E

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T

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I

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x
L

-

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x
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A

A

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K

A

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H

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x
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M

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x
I

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L

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x
I

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|
A

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G

A

M

L

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D

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W

W

M

-

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A

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-

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K

active site: K135 (= K161), D195 (= D219), E199 (= E223)
binding n-hydroxy-n-isopropyloxamic acid: P137 (≠ S163), D195 (= D219), E199 (= E223), E235 (= E259), I239 (≠ L264), I255 (≠ C280), S256 (= S281), A259 (= A284)
binding magnesium ion: D195 (= D219), E199 (= E223)
binding 1,4-dihydronicotinamide adenine dinucleotide: G25 (= G51), A26 (≠ V52), Q27 (= Q53), E46 (≠ Q72), L50 (vs. gap), N55 (≠ G75), S57 (≠ T77), L84 (= L108), L85 (= L109), P86 (≠ S110), D87 (= D111), I93 (≠ V117), H112 (= H135), P137 (≠ S163)

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)
37% identity, 88% coverage: 40:356/359 of query aligns to 16:326/340 of Q02138

query
sites
Q02138

L

L

K

A

N

G

E

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T

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I

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A

A

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Y

Y

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G

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Q

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G

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H

G

A

Q

H

A

A

L

Q

N

N

L

L

R

R

D

D

N

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G

G

F

H

N

N

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x
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R

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Y

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D

D

K

K

A

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A

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D

D

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W

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D

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I

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L

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W

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A

L

M

-

D

-

W

-

A

-

K

G

G

I

I

G

G

I

C

G

A

S

R

G

V

Y

G

L

I

F

I

E

E

T

T

F

F

I

K

R

E

E

E

A

T

T

E

S

E

D

D

L

L

T

F

G

G

E

E

R

Q

G

A

S

V

L

L

M

C

G

G

A

G

I

L

Q

T

G

A

L

L

L

V

L

E

A

A

Q

G

Y

F

E

E

V

T

L

L

R

T

E

E

N

A

G

G

H

Y

T

A

P

G

S

E

E

L

A

A

F

Y

N

F

E

E

T

V

V

L

E

H

E

E

L

M

T

-

Q

K

S

L

L

I

M

V

P

D

L

L

F

M

A

Y

K

E

N

G

G

G

M

F

D

T

W

K

M

M

Y

R

A

Q

N

S

C

I

S

S

T

N

T

T

A

A

Q

E

R

F

G

G

A

-

L

-

D

D

W

Y

M

V

-

T

G

G

P

P

-

R

-

I

F

I

H

T

D

D

A

A

I

V

K

K

P

K

V

N

V

M

E

K

K

L

L

V

Y

L

H

A

S

D

V

I

K

Q

T

S

G

G

N

K

E

F

A

A

Q

Q

I

D

S

F

I

V

D

D

S

D

N

F

S

K

K

A

P

G

D

-

Y

-

R

R

E

P

K

K

L

L

E

T

E

A

E

Y

L

R

K

E

A

A

L

A

R

K

E

N

S

L

E

E

M

I

W

E

Q

K

T

I

A

G

V

A

T

E

V

L

R

R

K

K

L

A

R

M

P

P

V48 (≠ Q72) 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 (= R73) 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 (= K76) 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 (≠ T77) 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.

6l2iA Ilvc, a ketol-acid reductoisomerase, from streptococcus pneumoniae_wt
36% identity, 88% coverage: 40:356/359 of query aligns to 14:324/324 of 6l2iA

query
sites
6l2iA

L

L

K

D

N

G

E

K

T

K

I

I

A

A

V

V

I

I

G

G

Y

Y

G

G

V

S

Q

Q

G

G

P

H

G

A

Q

H

A

A

L

Q

N

N

L

L

R

R

D

D

N

S

G

G

F

R

N

D

V

V

I

I

V

I

G

G

Q

V

R

R

Q

P

G

G

K

K

T

S

Y

F

D

D

K

K

A

A

V

K

A

E

D

D

G

G

W

F

V

-

P

-

G

-

E

-

T

D

L

T

F

Y

G

T

I

V

E

A

E

E

A

A

C

T

E

K

K

L

G

A

T

D

I

V

I

I

M

M

C

I

L

L

L

A

S

P

D

D

A

E

A

I

V

Q

M

Q

S

E

V

L

W

Y

P

E

T

A

-

E

I

I

K

A

P

P

Y

N

L

L

T

E

A

A

G

G

K

N

A

A

L

V

Y

G

F

F

S

A

H

H

G

G

F

F

A

N

I

I

T

H

W

F

S

E

D

-

R

-

T

-

G

F

V

I

V

K

P

V

P

P

A

A

D

D

I

V

D

D

V

V

I

F

M

M

V

C

A

A

P

P

K

K

G

G

S

P

G

G

T

H

S

L

L

V

R

R

T

R

M

T

F

Y

L

E

E

E

G

G

R

F

G

G

L

V

N

P

S

A

S

L

Y

Y

A

A

I

V

Y

Y

Q

Q

D

D

A

A

T

T

G

G

N

N

A

A

M

-

D

-

R

K

T

N

I

I

A

A

L

M

-

D

-

W

-

C

-

K

G

G

I

V

G

G

I

A

G

A

S

R

G

V

Y

G

L

L

F

L

E

E

T

T

F

Y

I

K

R

E

E

E

A

T

T

E

S

E

D

D

L

L

T

F

G

G

E

E

R

Q

G

A

S

V

L

L

M

C

G

G

A

G

I

L

Q

T

G

A

L

L

L

I

L

E

A

A

Q

G

Y

F

E

E

V

V

L

L

R

T

E

E

N

A

G

G

H

Y

T

A

P

P

S

E

E

L

A

A

F

Y

N

F

E

E

T

V

V

L

E

H

E

E

L

M

T

-

Q

K

S

L

L

I

M

V

P

D

L

L

F

I

A

Y

K

E

N

G

G

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W

K

M

M

Y

R

A

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N
x
S

C

I

S
|
S

T

N

T

T

A

A

Q

E

R

Y

G

G

A

-

L

-

D

D

W

Y

M

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G

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P

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R

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V

F

I

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N

V

M

E

K

K

A

L

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Y

L

H

A

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V

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N

G

G

N

K

E

F

A

A

Q

N

I

D

S

F

I

V

D

N

S

-

N

-

S

-

K

-

P

-

D

D

Y

Y

R

K

E

A

K

G

L

-

E

R

E

P

E

K

L

L

K

T

A

A

L

Y

R

R

E

E

S

Q

-

A

-

N

-

L

E

E

M

I

W

E

Q

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V

A

G

V

A

T

E

V

L

R

R

K

K

L

A

R

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P

P

binding nadp nicotinamide-adenine-dinucleotide phosphate: S248 (≠ N279), S250 (= S281)

Query Sequence

>351602 FitnessBrowser__Btheta:351602
MAQVIKTKKQKKMAQLNFGGTVENVVIRDEFPLEKAREVLKNETIAVIGYGVQGPGQALN
LRDNGFNVIVGQRQGKTYDKAVADGWVPGETLFGIEEACEKGTIIMCLLSDAAVMSVWPT
IKPYLTAGKALYFSHGFAITWSDRTGVVPPADIDVIMVAPKGSGTSLRTMFLEGRGLNSS
YAIYQDATGNAMDRTIALGIGIGSGYLFETTFIREATSDLTGERGSLMGAIQGLLLAQYE
VLRENGHTPSEAFNETVEELTQSLMPLFAKNGMDWMYANCSTTAQRGALDWMGPFHDAIK
PVVEKLYHSVKTGNEAQISIDSNSKPDYREKLEEELKALRESEMWQTAVTVRKLRPENN

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