SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 7026324 FitnessBrowser__ANA3:7026324 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)

5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
53% identity, 89% coverage: 34:292/292 of query aligns to 2:260/260 of 5b4tA

query
sites
5b4tA

L

L

K

K

G

G

K

K

V

K

G

A

L

V

I

V

T

T

G
|
G

S

S

T
|
T

S

S

G
|
G

I
|
I

G

G

L

L

A

A

T

M

A

A

H

T

V

E

L

L

A

A

E

K

Q

A

G

G

C

A

H

D

L

V

I

V

L

I

H

N

G

G

L
x
F

M

G

P

Q

E

P

A

E

E

D

G

I

R

E

R

R

L

E

A

R

A

S

E

T

F

L

A

E

E

S

Q

K

Y

F

H

G

I

V

H

K

T

A

Y

Y

F

Y

S

L

N

N

A

A

D
|
D

L
|
L

R

S

D

D

P

A

E

Q

S

A

I

T

H

R

A

D

F

F

M

I

D

A

A

K

G

A

V

A

K

E

A

A

L

L

G

G

S

G

I

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I

I

Q
|
Q

H

H

T

T

E

A

N

P

V

I

A

E

H

E

F

F

P

P

I

V

D

D

K

K

W

W

N

N

D

A

I

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

I

T

Q

A

A

A

V

L

P

P

A

I

M

M

A

Q

E

K

K

Q

R

G

W

W

G

G

R

R

I

I

N

N

I
|
I

A

A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

A

A

S

S

V

V

N

N

K
|
K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

L

T

T

K

K

V

V

V

T

A

A

I

L

E

E

C

N

A

A

E

G

Q

K

G

G

I

I

T

T

V

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

D

R

T
|
T

P

P

L
|
L

I
x
V

N

E

K

K

Q
|
Q

I

I

E

E

A

A

I
|
I

A

S

S

Q

N

Q

K

K

G

G

L

I

S

D

Y

I

D

E

E

A

A

A

K

A

Y

R

Q

E

L

L

V

L

T

A

A

E

K

K

Q

Q

P

P

L

S

P

L

E

Q

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

G

F

A

V

A

L

V

F

F

L

L

C

S

S

S

S

A

A

A

R

D

G

Q

I

M

T

T

G

G

A

T

S

T

L

L

A

S

M

L

D

D

G

G

A

G

W

W

T

T

A

A

Q

R

active site: G15 (= G47), N114 (= N146), S142 (= S174), Y155 (= Y187), K159 (= K191), I200 (= I232)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q126), S142 (= S174), H144 (= H176), K152 (= K184), Y155 (= Y187), W187 (= W219), Q196 (= Q228)
binding nicotinamide-adenine-dinucleotide: G11 (= G43), T13 (= T45), G15 (= G47), I16 (= I48), F36 (≠ L68), D63 (= D95), L64 (= L96), N90 (= N122), G92 (= G124), L113 (≠ I145), I140 (= I172), Y155 (= Y187), K159 (= K191), P185 (= P217), G186 (= G218), W187 (= W219), V188 (= V220), T190 (= T222), L192 (= L224), V193 (≠ I225)

3w8dA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
53% identity, 89% coverage: 34:292/292 of query aligns to 2:260/260 of 3w8dA

query
sites
3w8dA

L

L

K

K

G

G

K

K

V

K

G

A

L

V

I

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

A

T

M

A

A

H

T

V

E

L

L

A

A

E

K

Q

A

G

G

C

A

H

D

L

V

I

V

L

I

H

N

G

G

L
x
F

M

G

P

Q

E

P

A

E

E

D

G

I

R

E

R

R

L

E

A

R

A

S

E

T

F

L

A

E

E

S

Q

K

Y

F

H

G

I

V

H

K

T

A

Y

Y

F

Y

S

L

N

N

A
|
A

D
|
D

L
|
L

R

S

D

D

P

A

E

Q

S

A

I

T

H

R

A

D

F

F

M

I

D

A

A

K

G

A

V

A

K

E

A

A

L

L

G

G

S

G

I

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q
|
Q

H

H

T

T

E

A

N

P

V

I

A

E

H

E

F

F

P

P

I

V

D

D

K

K

W

W

N

N

D

A

I

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

I

T

Q

A

A

A

V

L

P

P

A

I

M

M

A

Q

E

K

K

Q

R

G

W

W

G

G

R

R

I

I

N

N

I

I

A

A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

A

A

S

S

V

V

N

N

K
|
K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

L

T

T

K

K

V

V

V

T

A

A

I

L

E

E

C

N

A

A

E

G

Q

K

G

G

I

I

T

T

V

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

D

R

T
|
T

P

P

L
|
L

I
x
V

N

E

K

K

Q
|
Q

I

I

E

E

A

A

I
|
I

A

S

S

Q

N

Q

K

K

G

G

L

I

S

D

Y

I

D

E

E

A

A

A

K

A

Y

R

Q

E

L

L

V

L

T

A

A

E

K

K

Q

Q

P

P

L

S

P

L

E

Q

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

G

F

A

V

A

L

V

F

F

L

L

C

S

S

S

S

A

A

A

R

D

G

Q

I

M

T

T

G

G

A

T

S

T

L

L

A

S

M

L

D

D

G

G

A

G

W
|
W

T

T

A

A

Q

R

active site: G15 (= G47), N114 (= N146), S142 (= S174), Y155 (= Y187), K159 (= K191), I200 (= I232)
binding methylmalonic acid: Q94 (= Q126), S142 (= S174), H144 (= H176), K152 (= K184), Y155 (= Y187), W187 (= W219), Q196 (= Q228), W257 (= W289)
binding nicotinamide-adenine-dinucleotide: G11 (= G43), T13 (= T45), S14 (= S46), G15 (= G47), I16 (= I48), F36 (≠ L68), A62 (= A94), D63 (= D95), L64 (= L96), N90 (= N122), A91 (= A123), G92 (= G124), L113 (≠ I145), S142 (= S174), Y155 (= Y187), K159 (= K191), P185 (= P217), G186 (= G218), W187 (= W219), V188 (= V220), T190 (= T222), L192 (= L224), V193 (≠ I225)

3vdrA Crystal structure of d-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate d-3-hydroxybutyrate and NAD(+) (see paper)
53% identity, 89% coverage: 34:292/292 of query aligns to 2:260/260 of 3vdrA

query
sites
3vdrA

L

L

K

K

G

G

K

K

V

K

G

A

L

V

I

V

T

T

G
|
G

S

S

T
|
T

S

S

G
|
G

I
|
I

G

G

L

L

A

A

T

M

A

A

H

T

V

E

L

L

A

A

E

K

Q

A

G

G

C

A

H

D

L

V

I

V

L

I

H

N

G

G

L
x
F

M

G

P

Q

E

P

A

E

E

D

G

I

R

E

R

R

L

E

A

R

A

S

E

T

F

L

A

E

E

S

Q

K

Y

F

H

G

I

V

H

K

T

A

Y

Y

F

Y

S

L

N

N

A

A

D
|
D

L
|
L

R

S

D

D

P

A

E

Q

S

A

I

T

H

R

A

D

F

F

M

I

D

A

A

K

G

A

V

A

K

E

A

A

L

L

G

G

S

G

I

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q
|
Q

H

H

T

T

E

A

N

P

V

I

A

E

H

E

F

F

P

P

I

V

D

D

K

K

W

W

N

N

D

A

I

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

I

T

Q

A

A

A

V

L

P

P

A

I

M

M

A

Q

E

K

K

Q

R

G

W

W

G

G

R

R

I

I

N

N

I

I

A

A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

A

A

S

S

V

V

N

N

K
|
K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

L

T

T

K

K

V

V

V

T

A

A

I

L

E

E

C

N

A

A

E

G

Q

K

G

G

I

I

T

T

V

C

N

N

A

A

I

I

C

C

P

P

G
|
G

W
|
W

V
|
V

D

R

T
|
T

P

P

L
|
L

I
x
V

N

E

K

K

Q
|
Q

I

I

E

E

A

A

I
|
I

A

S

S

Q

N

Q

K

K

G

G

L

I

S

D

Y

I

D

E

E

A

A

A

K

A

Y

R

Q

E

L

L

V

L

T

A

A

E

K

K

Q

Q

P

P

L

S

P

L

E

Q

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

G

F

A

V

A

L

V

F

F

L

L

C

S

S

S

S

A

A

A

R

D

G

Q

I

M

T

T

G

G

A

T

S

T

L

L

A

S

M

L

D

D

G

G

A

G

W
|
W

T

T

A

A

Q

R

active site: G15 (= G47), N114 (= N146), S142 (= S174), Y155 (= Y187), K159 (= K191), I200 (= I232)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q126), H144 (= H176), K152 (= K184), Y155 (= Y187), W187 (= W219), Q196 (= Q228), W257 (= W289)
binding acetoacetic acid: Q94 (= Q126), H144 (= H176), K152 (= K184), Y155 (= Y187), W187 (= W219), Q196 (= Q228), W257 (= W289)
binding nicotinamide-adenine-dinucleotide: G11 (= G43), T13 (= T45), I16 (= I48), F36 (≠ L68), D63 (= D95), L64 (= L96), N90 (= N122), A91 (= A123), G92 (= G124), L113 (≠ I145), K159 (= K191), G186 (= G218), V188 (= V220), T190 (= T222), L192 (= L224), V193 (≠ I225)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G43), T13 (= T45), I16 (= I48), F36 (≠ L68), D63 (= D95), L64 (= L96), N90 (= N122), A91 (= A123), G92 (= G124), L113 (≠ I145), S142 (= S174), Y155 (= Y187), K159 (= K191), G186 (= G218), V188 (= V220), T190 (= T222), L192 (= L224), V193 (≠ I225)

3vdqA Crystal structure of alcaligenes faecalis d-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate (see paper)
53% identity, 89% coverage: 34:292/292 of query aligns to 2:260/260 of 3vdqA

query
sites
3vdqA

L

L

K

K

G

G

K

K

V

K

G

A

L

V

I

V

T

T

G
|
G

S

S

T

T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

A

T

M

A

A

H

T

V

E

L

L

A

A

E

K

Q

A

G

G

C

A

H

D

L

V

I

V

L

I

H

N

G

G

L
x
F

M

G

P

Q

E

P

A

E

E

D

G

I

R

E

R

R

L

E

A

R

A

S

E

T

F

L

A

E

E

S

Q

K

Y

F

H

G

I

V

H

K

T

A

Y

Y

F

Y

S

L

N

N

A

A

D
|
D

L
|
L

R

S

D

D

P

A

E

Q

S

A

I

T

H

R

A

D

F

F

M

I

D

A

A

K

G

A

V

A

K

E

A

A

L

L

G

G

S

G

I

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q
|
Q

H

H

T

T

E

A

N

P

V

I

A

E

H

E

F

F

P

P

I

V

D

D

K

K

W

W

N

N

D

A

I

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

I

T

Q

A

A

A

V

L

P

P

A

I

M

M

A

Q

E

K

K

Q

R

G

W

W

G

G

R

R

I

I

N

N

I
|
I

A

A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

A

A

S

S

V

V

N

N

K
|
K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

L

T

T

K

K

V

V

V

T

A

A

I

L

E

E

C

N

A

A

E

G

Q

K

G

G

I

I

T

T

V

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

D

R

T
|
T

P

P

L
|
L

I
x
V

N

E

K

K

Q
|
Q

I

I

E

E

A

A

I
|
I

A

S

S

Q

N

Q

K

K

G

G

L

I

S

D

Y

I

D

E

E

A

A

A

K

A

Y

R

Q

E

L

L

V

L

T

A

A

E

K

K

Q

Q

P

P

L

S

P

L

E

Q

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

G

F

A

V

A

L

V

F

F

L

L

C

S

S

S

S

A

A

A

R

D

G

Q

I

M

T

T

G

G

A

T

S

T

L

L

A

S

M

L

D

D

G

G

A

G

W

W

T

T

A

A

Q

R

active site: G15 (= G47), N114 (= N146), S142 (= S174), Y155 (= Y187), K159 (= K191), I200 (= I232)
binding acetate ion: Q94 (= Q126), H144 (= H176), K152 (= K184), W187 (= W219), L192 (= L224), Q196 (= Q228)
binding nicotinamide-adenine-dinucleotide: G11 (= G43), S14 (= S46), I16 (= I48), F36 (≠ L68), D63 (= D95), L64 (= L96), N90 (= N122), A91 (= A123), G92 (= G124), L113 (≠ I145), I140 (= I172), S142 (= S174), Y155 (= Y187), K159 (= K191), P185 (= P217), G186 (= G218), W187 (= W219), V188 (= V220), T190 (= T222), L192 (= L224), V193 (≠ I225)

2ztlA Closed conformation of d-3-hydroxybutyrate dehydrogenase complexed with NAD+ and l-3-hydroxybutyrate (see paper)
51% identity, 89% coverage: 34:292/292 of query aligns to 2:260/260 of 2ztlA

query
sites
2ztlA

L

L

K

K

G

G

K

K

V

V

G

A

L

V

I

V

T

T

G
|
G

S

S

T

T

S

S

G
|
G

I
|
I

G

G

L

L

A

G

T

I

A

A

H

T

V

A

L

L

A

A

E

A

Q

Q

G

G

C

A

H

D

L

I

I

V

L

L

H

N

G

G

L
x
F

M

G

P

D

E

A

A

A

E

E

G

I

R

E

R

K

L

V

A

R

A

A

E

G

F

L

A

A

E

A

Q

Q

Y

H

H

G

I

V

H

K

T

V

Y

L

F

Y

S

D

N

G

A

A

D

D

L
|
L

R

S

D

K

P

G

E

E

S

A

I

V

H

R

A

G

F

L

M

V

D

D

A

N

G

A

V

V

K

R

A

Q

L

M

G

G

S

R

I

I

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q
|
Q

H

H

T

T

E

A

N

L

V

I

A

E

H

D

F

F

P

P

I

T

D

E

K

K

W

W

N

D

D

A

I

I

I

L

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

I

T

Q

A

A

A

V

L

P

P

A

H

M

M

A

K

E

K

K

Q

R

G

W

F

G

G

R

R

I

I

N

N

I

I

A

A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

A

A

S

S

V

A

N

N

K
|
K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

F

T

T

K

K

V

V

V

T

A

A

I

L

E

E

C

T

A

A

E

G

Q

Q

G

G

I

I

T

T

V

A

N

N

A

A

I

I

C

C

P
|
P

G

G

W
|
W

V
|
V

D

R

T
|
T

P

P

L

L

I
x
V

N

E

K

K

Q
|
Q

I

I

E

S

A

A

I
x
L

A

A

S

E

N

K

K

N

G

G

L

V

S

D

Y

Q

D

E

E

T

A

A

K

A

Y

R

Q

E

L

L

V

L

T

S

A

E

K

K

Q

Q

P

P

L

S

P

L

E

Q

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

G

F

T

V

A

L

V

F

F

L

L

C

A

S

S

S

D

A

A

R

A

G

Q

I

I

T

T

G

G

A

T

S

T

L

V

A

S

M

V

D

D

G

G

A

G

W

W

T

T

A

A

Q

R

active site: G15 (= G47), N114 (= N146), S142 (= S174), Y155 (= Y187), K159 (= K191), L200 (≠ I232)
binding (3s)-3-hydroxybutanoic acid: Q94 (= Q126), S142 (= S174), H144 (= H176), K152 (= K184), Y155 (= Y187), Q196 (= Q228)
binding nicotinamide-adenine-dinucleotide: G11 (= G43), G15 (= G47), I16 (= I48), F36 (≠ L68), L64 (= L96), N90 (= N122), A91 (= A123), G92 (= G124), L113 (≠ I145), Y155 (= Y187), K159 (= K191), P185 (= P217), W187 (= W219), V188 (= V220), T190 (= T222), V193 (≠ I225)

1wmbA Crystal structure of NAD dependent d-3-hydroxybutylate dehydrogenase (see paper)
51% identity, 89% coverage: 34:292/292 of query aligns to 2:260/260 of 1wmbA

query
sites
1wmbA

L

L

K

K

G

G

K

K

V

V

G

A

L

V

I

V

T

T

G

G

S

S

T

T

S

S

G
|
G

I

I

G

G

L

L

A

G

T

I

A

A

H

T

V

A

L

L

A

A

E

A

Q

Q

G

G

C

A

H

D

L

I

I

V

L

L

H

N

G

G

L

F

M

G

P

D

E

A

A

A

E

E

G

I

R

E

R

K

L

V

A

R

A

A

E

G

F

L

A

A

E

A

Q

Q

Y

H

H

G

I

V

H

K

T

V

Y

L

F

Y

S

D

N

G

A

A

D

D

L

L

R

S

D

K

P

G

E

E

S

A

I

V

H

R

A

G

F

L

M

V

D

D

A

N

G

A

V

V

K

R

A

Q

L

M

G

G

S

R

I

I

D

D

I

I

L

L

V

V

N

N

A

A

G

G

I

I

Q

Q

H

H

T

T

E

A

N

L

V

I

A

E

H

D

F

F

P

P

I

T

D

E

K

K

W

W

N

D

D

A

I

I

I

L

A

A

I

L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

I

T

Q

A

A

A

V

L

P

P

A

H

M

M

A

K

E

K

K

Q

R

G

W

F

G

G

R

R

I

I

N

N

I

I

A

A

S
|
S

V

A

H

H

G

G

L

L

V

V

A

A

S

S

V

A

N

N

K

K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

F

T

T

K

K

V

V

V

T

A

A

I

L

E

E

C

T

A

A

E

G

Q

Q

G

G

I

I

T

T

V

A

N

N

A

A

I

I

C

C

P

P

G

G

W

W

V

V

D

R

T

T

P

P

L

L

I

V

N

E

K

K

Q

Q

I

I

E

S

A

A

I
x
L

A

A

S

E

N

K

K

N

G

G

L

V

S

D

Y

Q

D

E

E

T

A

A

K

A

Y

R

Q

E

L

L

V

L

T

S

A

E

K

K

Q

Q

P

P

L

S

P

L

E

Q

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

G

F

T

V

A

L

V

F

F

L

L

C

A

S

S

S

D

A

A

R

A

G

Q

I

I

T

T

G

G

A

T

S

T

L

V

A

S

M

V

D

D

G

G

A

G

W
|
W

T

T

A

A

Q

R

active site: G15 (= G47), N114 (= N146), S142 (= S174), Y155 (= Y187), K159 (= K191), L200 (≠ I232)
binding cacodylate ion: S142 (= S174), Y155 (= Y187), W257 (= W289)

5yssB Crystal structure of aminocaproic acid cyclase in complex with NAD (+) (see paper)
50% identity, 89% coverage: 33:292/292 of query aligns to 1:255/255 of 5yssB

query
sites
5yssB

S

N

L

L

K

T

G

G

K

K

V

T

G

A

L

L

I

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

G

T

I

A

A

H

Q

V

V

L

L

A

A

E

Q

Q

A

G

G

C

A

H

T

L

L

I

I

L

L

H

N

G
|
G

L
x
F

M

G

P

D

E

V

A

D

E

A

G

A

R

K

R

D

L

A

A

V

A

A

E

Q

F

Y

A

G

E

K

Q

T

Y

P

H

G

I

Y

H

H

T

-

Y

-

F

-

S

-

N

G

A

A

D

D

L
|
L

R

S

D

D

P

E

E

A

S

Q

I

I

H

A

A

D

F

M

M

M

D

R

A

Y

G

A

V

E

K

S

A

E

L

F

G

G

S

G

I

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A

A

G
|
G

I
|
I

Q

Q

H

H

T

V

E

S

N

P

V

I

A

E

H

T

F

F

P

P

I

V

D

D

K

K

W

W

N

N

D

A

I

I

A

A

I

I

N

N

L

L

S

S

A

V

F

F

H

H

T

T

I

T

Q

R

Q

L

A

A

V

L

P

P

A

G

M

M

A

R

E

A

K

R

R

N

W

W

G

G

R

R

I

I

N

N

I

I

A
|
A

S

S

V

V

H

H

G

G

L

L

V

V

A

A

S

S

V

K

N

E

K

K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

L

T

T

K

K

V

T

V

I

A

A

I

L

E

E

C

T

A

A

E

Q

Q

T

G

E

I

I

T

T

V

C

N

N

A

A

I

L

C

C

P
|
P

G
|
G

W

W

V
|
V

D

L

T
|
T

P

P

L

L

I

V

N

Q

K

Q

Q

Q

I

I

E

D

A

K

I

R

A

I

S

A

N

-

K

E

G

G

L

A

S

E

Y

P

D

E

E

A

A

A

K

R

Y

D

Q

A

L

L

V

L

T

A

A

E

K

K

Q

Q

P

P

L

S

P

R

E

E

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

N

F

L

V

A

L

L

F

F

L

L

C

C

S

S

S

D

A

G

A

A

R

A

G

Q

I

V

T

R

G

G

A

V

S

A

L

W

A

N

M

M

D

D

G

G

A

G

W

W

T

V

A

A

Q

Q

binding nicotinamide-adenine-dinucleotide: G11 (= G43), T13 (= T45), S14 (= S46), G15 (= G47), I16 (= I48), G35 (= G67), F36 (≠ L68), L60 (= L96), N86 (= N122), G88 (= G124), I89 (= I125), A137 (= A173), Y151 (= Y187), K155 (= K191), P181 (= P217), G182 (= G218), V184 (= V220), T186 (= T222)

2q2qD Structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas putida (see paper)
50% identity, 89% coverage: 33:292/292 of query aligns to 1:255/255 of 2q2qD

query
sites
2q2qD

S

T

L

L

K

K

G

G

K

K

V

T

G

A

L

L

I

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

G

T

I

A

A

H

Q

V

V

L

L

A

A

E

R

Q

A

G

G

C

A

H

N

L

I

I

V

L

L

H

N

G

G

L
x
F

M

G

P

D

E

P

A

A

E

P

G

A

R

L

R

-

L

-

A

-

A

A

E

E

F

I

A

A

E

-

Q

R

Y

H

H

G

I

V

H

K

T

A

Y

V

F

H

S

H

N

P

A

A

D
|
D

L
|
L

R

S

D

D

P

V

E

A

S

Q

I

I

H

E

A

A

F

L

M

F

D

A

A

L

G

A

V

E

K

R

A

E

L

F

G

G

S

G

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I

I

Q

Q

H

H

T

V

E

A

N

P

V

V

A

E

H

Q

F

F

P

P

I

L

D

E

K

S

W

W

N

D

D

K

I

I

A

A

I
x
L

N

N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

I

T

Q

R

Q

L

A

A

V

L

P

P

A

G

M

M

A

R

E

A

K

R

R

N

W

W

G

G

R

R

I

I

N

N

I
|
I

A

A

S
|
S

V

V

H

H

G

G

L

L

V

V

A

G

S

S

V

T

N

G

K

K

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

L

T

T

K

K

V

V

A

G

I

L

E

E

C

T

A

A

E

T

Q

S

G

N

I

V

T

T

V

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

D

L

T
|
T

P

P

L
|
L

I
x
V

N

Q

K

K

Q

Q

I

I

E

D

A

D

I
x
R

A

A

S

A

N

N

K

G

G

G

L

D

S

P

Y

L

D

-

E

Q

A

A

K

Q

Y

H

Q

D

L

L

V

L

T

A

A

E

K

K

Q

Q

P

P

L

S

P

L

E

A

M

F

L

V

D

T

P

P

R

E

Q

H

I

L

G

G

E

E

F

L

V

V

L

L

F

F

L

L

C

C

S

S

S

E

A

A

A

G

R

S

G

Q

I

V

T

R

G

G

A

A

S

A

L

W

A

N

M

V

D

D

G

G

A

G

W

W

T

L

A

A

Q

Q

active site: G15 (= G47), S138 (= S174), Y151 (= Y187), K155 (= K191), R196 (≠ I232)
binding nicotinamide-adenine-dinucleotide: G11 (= G43), T13 (= T45), S14 (= S46), G15 (= G47), I16 (= I48), F36 (≠ L68), D59 (= D95), L60 (= L96), N86 (= N122), G88 (= G124), L109 (≠ I145), I136 (= I172), S138 (= S174), Y151 (= Y187), K155 (= K191), P181 (= P217), G182 (= G218), W183 (= W219), V184 (= V220), T186 (= T222), L188 (= L224), V189 (≠ I225)

1x1tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas fragi complexed with NAD+ (see paper)
48% identity, 89% coverage: 34:292/292 of query aligns to 2:236/236 of 1x1tA

query
sites
1x1tA

L

L

K

K

G

G

K

K

V

V

G

A

L

V

I

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

G

T

I

A

A

H

T

V

A

L

L

A

A

E

A

Q

Q

G

G

C

A

H

D

L

I

I

V

L

L

H

N

G
|
G

L
x
F

M

G

P

D

E

A

A

A

E

E

G

I

R

E

R

K

L

V

A

R

A

A

E

G

F

L

A

A

E

A

Q

Q

Y

H

H

G

I

V

H

K

T

V

Y

L

F

Y

S

D

N

G

A

A

D
|
D

L
|
L

R

S

D

K

P

G

E

E

S

A

I

V

H

R

A

G

F

L

M

V

D

D

A

N

G

A

V

V

K

R

A

Q

L

M

G

G

S

R

I

I

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I

I

Q

Q

H

H

T

T

E

A

N

L

V

I

A

E

H

D

F

F

P

P

I

T

D

E

K

K

W

W

N

D

D

A

I

I

I

L

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

I

T

Q

A

A

A

V

L

P

P

A

H

M

M

A

K

E

K

K

Q

R

G

W

F

G

G

R

R

I

I

N

N

I

I

A

A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

A

A

S

S

V

A

N

N

K

K

A

S

A

A

Y
|
Y

C

V

A

A

K
|
K

H

H

G

G

I

V

V

V

G

G

L

F

T

T

K

K

V

V

V

T

A

A

I

L

E

E

C

T

A

A

E

G

Q

Q

G

G

I

I

T

T

V

A

N

N

A

A

I

I

C

C

P
|
P

G

G

W
|
W

V
|
V

D

R

T
|
T

P

-

L

-

I

-

N

-

K

-

Q

-

I

-

E

-

A

-

I

-

A

-

S

-

N

-

K

-

G

-

L

-

S

-

Y

-

D

-

E

-

A

-

K

-

Y

-

Q

-

L

L

V

L

T

S

A

E

K

K

Q

Q

P

P

L

S

P

L

E

Q

M

F

L

V

D

T

P

P

R

E

Q

Q

I

L

G

G

E

G

F

T

V

A

L

V

F

F

L

L

C

A

S

S

S

D

A

A

R

A

G

Q

I

I

T

T

G

G

A

T

S

T

L

V

A

S

M

V

D

D

G

G

A

G

W
|
W

T

T

A

A

Q

R

active site: G15 (= G47), N114 (= N146), S142 (= S174), Y155 (= Y187), K159 (= K191)
binding cacodylate ion: S142 (= S174), H144 (= H176), Y155 (= Y187), W187 (= W219), W233 (= W289)
binding nicotinamide-adenine-dinucleotide: G11 (= G43), T13 (= T45), S14 (= S46), G15 (= G47), I16 (= I48), G35 (= G67), F36 (≠ L68), D63 (= D95), L64 (= L96), N90 (= N122), G92 (= G124), L113 (≠ I145), S142 (= S174), Y155 (= Y187), K159 (= K191), P185 (= P217), W187 (= W219), V188 (= V220), T190 (= T222)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
40% identity, 89% coverage: 34:292/292 of query aligns to 5:261/261 of 6zzsD

query
sites
6zzsD

L

L

K

D

G

G

K

K

V

V

G

A

L

F

I

I

T

T

G
|
G

S

S

T

A

S
|
S

G
|
G

I
|
I

G

G

L

L

A

E

T

I

A

A

H

K

V

K

L

F

A

A

E

Q

Q

E

G

G

C

A

H

K

L

V

I

V

L

I

H

S

G
x
D

L
x
M

M

-

P

-

E

N

A

A

E

E

G

K

R

C

R

Q

L

E

A

T

A

A

E

N

F

S

A

L

E

K

Q

E

Y

Q

H

G

I

F

H

D

T

A

Y

L

F

S

S

A

N

P

A

C

D
|
D

L
x
V

R

T

D

D

P

E

E

D

S

A

I

Y

H

K

A

Q

F

A

M

I

D

E

A

L

G

T

V

Q

K

K

A

T

L

F

G

G

S

T

I

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I

F

Q
|
Q

H

H

T

V

E

A

N

P

V

I

A

E

H

E

F

F

P

P

I

T

D

A

K

V

W

F

N

Q

D

K

I

L

I

V

A

Q

I

V

N

M

L

L

S

T

S

G

A

A

F

F

H

I

T

G

I

I

Q

K

Q

H

A

V

V

L

P

P

A

I

M

M

A

K

E

A

K

Q

R

K

W

Y

G

G

R

R

I

I

N

N

I
x
M

A
|
A

S
|
S

V

I

H
x
N

G

G

L

L

V

I

A

G

S

F

V

A

N

G

K
|
K

A

A

A

G

Y
|
Y

C

N

A

S

A

A

K
|
K

H

H

G

G

I

V

V

I

G

G

L

L

T

T

K

K

V

V

V

A

A

A

I

L

E

E

C

C

A

A

E

R

Q

D

G

G

I

I

T

T

V

V

N

N

A

A

I

L

C

C

P
|
P

G
|
G

W

Y

V
|
V

D

D

T
|
T

P

P

L
|
L

I

V

N

R

K

G

Q
|
Q

I

I

E

A

A

D

I

L

A

A

S

K

N

T

K

R

G

N

L

V

S

S

Y

L

D

D

E

S

A

A

K

L

Y

E

Q

D

L

V

V

I

T

L

A

A

K

M

Q

V

P

P

L

Q

P

K

E

R

M

L

L

L

D

S

P

V

R

E

Q

E

I

I

G

A

E

D

F

Y

V

A

L

I

F

F

L

L

C

A

S

S

A

K

A

A

R

G

G

G

I

V

T

T

G

G

A

Q

S

A

L

V

A

V

M

M

D

D

G

G

A

G

W

Y

T

T

A

A

Q

Q

active site: G18 (= G47), S143 (= S174), Y156 (= Y187)
binding nicotinamide-adenine-dinucleotide: G14 (= G43), S17 (= S46), I19 (= I48), D38 (≠ G67), M39 (≠ L68), D64 (= D95), V65 (≠ L96), N91 (= N122), A92 (= A123), G93 (= G124), M141 (≠ I172), A142 (= A173), S143 (= S174), Y156 (= Y187), K160 (= K191), P186 (= P217), G187 (= G218), V189 (= V220), T191 (= T222), L193 (= L224)
binding 3-oxidanylidenepentanoic acid: Q95 (= Q126), S143 (= S174), N145 (≠ H176), K153 (= K184), Y156 (= Y187), Q197 (= Q228)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
40% identity, 89% coverage: 34:292/292 of query aligns to 4:260/260 of 6zzqA

query
sites
6zzqA

L

L

K

D

G

G

K

K

V

V

G

A

L

F

I

I

T

T

G
|
G

S

S

T

A

S
|
S

G
|
G

I
|
I

G

G

L

L

A

E

T

I

A

A

H

K

V

K

L

F

A

A

E

Q

Q

E

G

G

C

A

H

K

L

V

I

V

L

I

H

S

G
x
D

L
x
M

M

-

P

-

E

N

A

A

E

E

G

K

R

C

R

Q

L

E

A

T

A

A

E

N

F

S

A

L

E

K

Q

E

Y

Q

H

G

I

F

H

D

T

A

Y

L

F

S

S

A

N

P

A

C

D
|
D

L
x
V

R

T

D

D

P

E

E

D

S

A

I

Y

H

K

A

Q

F

A

M

I

D

E

A

L

G

T

V

Q

K

K

A

T

L

F

G

G

S

T

I

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I

F

Q
|
Q

H

H

T

V

E

A

N

P

V

I

A

E

H

E

F

F

P

P

I

T

D

A

K

V

W

F

N

Q

D

K

I

L

I

V

A

Q

I

V

N

M

L

L

S

T

S

G

A

A

F

F

H

I

T

G

I

I

Q

K

Q

H

A

V

V

L

P

P

A

I

M

M

A

K

E

A

K

Q

R

K

W

Y

G

G

R

R

I

I

N

N

I
x
M

A
|
A

S
|
S

V

I

H

N

G

G

L

L

V

I

A

G

S

F

V

A

N

G

K
|
K

A

A

A

G

Y
|
Y

C

N

A

S

A

A

K
|
K

H

H

G

G

I

V

V

I

G

G

L

L

T

T

K

K

V

V

V

A

A

A

I

L

E

E

C

C

A

A

E

R

Q

D

G

G

I

I

T

T

V

V

N

N

A

A

I

L

C

C

P

P

G

G

W
x
Y

V
|
V

D

D

T
|
T

P

P

L

L

I

V

N

R

K

G

Q
|
Q

I

I

E

A

A

D

I

L

A

A

S

K

N

T

K

R

G

N

L

V

S

S

Y

L

D

D

E

S

A

A

K

L

Y

E

Q

D

L

V

V

I

T

L

A

A

K

M

Q

V

P

P

L

Q

P

K

E

R

M

L

L

L

D

S

P

V

R

E

Q

E

I

I

G

A

E

D

F

Y

V

A

L

I

F

F

L

L

C

A

S

S

A

K

A

A

R

G

G

G

I

V

T

T

G

G

A

Q

S

A

L

V

A

V

M

M

D

D

G

G

A

G

W

Y

T

T

A

A

Q

Q

active site: G17 (= G47), S142 (= S174), Y155 (= Y187)
binding acetoacetic acid: Q94 (= Q126), S142 (= S174), K152 (= K184), Y155 (= Y187), Q196 (= Q228)
binding nicotinamide-adenine-dinucleotide: G13 (= G43), S16 (= S46), G17 (= G47), I18 (= I48), D37 (≠ G67), M38 (≠ L68), D63 (= D95), V64 (≠ L96), N90 (= N122), A91 (= A123), G92 (= G124), M140 (≠ I172), A141 (= A173), S142 (= S174), Y155 (= Y187), K159 (= K191), Y187 (≠ W219), V188 (= V220), T190 (= T222)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
36% identity, 87% coverage: 33:287/292 of query aligns to 2:243/247 of 4jroC

query
sites
4jroC

S

T

L

L

K

Q

G

G

K

K

V

V

G

A

L

V

I

V

T

T

G
|
G

S

G

T
x
S

S
x
R

G
|
G

I
|
I

G

G

L

R

A

D

T

I

A

A

H

I

V

N

L

L

A

A

E

K

Q

E

G

G

C

A

H

N

L

I

I

F

L

F

-
x
N

H
x
Y

G
x
N

L
x
G

M
x
S

P

P

E

E

A

A

-

A

-

E

E

E

G

T

R

A

R

K

L

L

A

V

A

A

E

E

F

-

A

-

E

-

Q

-

Y

H

H

G

I

V

H

E

T

V

Y

E

F

A

S

M

N

K

A

A

D
x
N

L
x
V

R

A

D

I

P

A

E

E

S

D

I

V

H

D

A

A

F

F

M

F

D

K

A

Q

G

A

V

I

K

E

A

R

L

F

G

G

S

R

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I
|
I

Q

T

H

R

T

D

E

N

N

L

V

L

A

M

H

R

F

M

P

K

I

E

D

D

K

E

W

W

N

D

D

D

I

V

I

I

A

N

I
|
I

N

N

L

L

S

K

S

G

A

T

F

F

H

L

T

C

I

T

Q

K

Q

A

A

V

V

S

P

R

A

T

M

M

A

M

E

K

K

Q

R

R

W

A

G

G

R

K

I

I

N

N

I

M

A

A

S
|
S

V

V

H

V

G

G

L

L

V

I

A

G

S

N

V

A

N

G

K
x
Q

A

A

A

N

Y
|
Y

C

V

A

A

A

S

K
|
K

H

A

G

G

I

V

V

I

G

G

L

L

T

T

K

K

V

T

A

A

I

R

E

E

C

L

A

A

E

P

Q

R

G

G

I

I

T

N

V

V

N

N

A

A

I

V

C

A

P
|
P

G

G

W

F

V
x
I

D

T

T
|
T

P

D

L

M

I

T

N

D

K

K

Q

-

I

-

E

-

A

-

I

-

A

-

S

-

N

-

K

-

G

-

L

-

S

-

Y

L

D

D

E

E

A

K

K

T

Y

K

Q

E

L

A

V

M

T

L

A

A

K

Q

Q

I

P

P

L

L

P

G

E

A

M

Y

L

G

D

T

P

T

R

E

Q

D

I

I

G

A

E

N

F

A

V

V

L

L

F

F

L

L

C

A

S

S

S

D

A

A

A

S

R

K

G

Y

I

I

T

T

G

G

A

Q

S

T

L

L

A

S

M

V

D

D

G

G

active site: G16 (= G47), S142 (= S174), Q152 (≠ K184), Y155 (= Y187), K159 (= K191)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G43), S14 (≠ T45), R15 (≠ S46), G16 (= G47), I17 (= I48), N35 (vs. gap), Y36 (≠ H66), N37 (≠ G67), G38 (≠ L68), S39 (≠ M69), N63 (≠ D95), V64 (≠ L96), N90 (= N122), A91 (= A123), I93 (= I125), I113 (= I145), S142 (= S174), Y155 (= Y187), K159 (= K191), P185 (= P217), I188 (≠ V220), T190 (= T222)

3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
36% identity, 87% coverage: 33:287/292 of query aligns to 5:242/247 of 3op4A

query
sites
3op4A

S

N

L

L

K

E

G

G

K

K

V

V

G

A

L

L

I

V

T

T

G
|
G

S

A

T
x
S

S
x
R

G

G

I
|
I

G

G

L

K

A

A

T

I

A

A

H

E

V

L

L

L

A

A

E

E

Q

R

G

G

C

A

H

K

L

V

I

I

L

-

H

-

G

G

L

T

M

A

P
x
T

E

S

A

E

E

S

G

G

R

A

R

Q

L

A

A

I

A

S

E

D

F

Y

A

L

E

G

Q

D

Y

N

H

G

I

K

H

G

T

M

Y

A

F

L

S

-

N

-

A

-

D
x
N

L
x
V

R

T

D

N

P

P

E

E

S

S

I

I

H

E

A

A

F

V

M

L

D

K

A

A

G

I

V

T

K

D

A

E

L

F

G

G

S

G

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I
|
I

Q

T

H

R

T

D

E

N

N

L

V

L

A

M

H

R

F

M

P

K

I

E

D

E

K

E

W

W

N

S

D

D

I

I

I

M

A

E

I

T

N

N

L

L

S

T

S

S

A

I

F

F

H

R

T

L

I

S

Q

K

Q

A

A

V

V

L

P

R

A

G

M

M

A

M

E

K

K

K

R

R

W

Q

G

G

R

R

I

I

N

N

I
x
V

A

G

S
|
S

V

V

H

V

G

G

L

T

V

M

A

G

S

N

V

A

N

G

K

Q

A

A

A

N

Y
|
Y

C

A

A

A

K
|
K

H

A

G

G

I

V

V

I

G

G

L

F

T

T

K

K

V

S

V

M

A

A

I

R

E

E

C

V

A

A

E

S

Q

R

G

G

I

V

T

T

V

V

N

N

A

T

I

V

C

A

P
|
P

G
|
G

W

F

V
x
I

D

E

T
|
T

P

D

L
x
M

I

-

N

-

K

-

Q

-

I

-

E

-

A

-

I

-

A

-

S

-

N

T

K

K

G

A

L

L

S

N

Y

D

D

E

E

Q

A

R

K

T

Y

A

Q

T

L

L

V

-

T

-

A

A

K

Q

Q

V

P

P

L

A

P

G

E

R

M

L

L

G

D

D

P

P

R

R

Q

E

I

I

G

A

E

S

F

A

V

V

L

A

F

F

L

L

C

A

S

S

S

P

A

E

A

A

R

A

G

Y

I

I

T

T

G

G

A

E

S

T

L

L

A

H

M

V

D

N

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G43), S17 (≠ T45), R18 (≠ S46), I20 (= I48), T40 (≠ P70), N62 (≠ D95), V63 (≠ L96), N89 (= N122), A90 (= A123), I92 (= I125), V139 (≠ I172), S141 (= S174), Y154 (= Y187), K158 (= K191), P184 (= P217), G185 (= G218), I187 (≠ V220), T189 (= T222), M191 (≠ L224)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
35% identity, 87% coverage: 33:287/292 of query aligns to 5:238/243 of 4i08A

query
sites
4i08A

S

N

L

L

K

E

G

G

K

K

V

V

G

A

L

L

I

V

T

T

G
|
G

S

A

T
x
S

S
x
R

G
|
G

I
|
I

G

G

L

K

A

A

T

I

A

A

H

E

V

L

L

L

A

A

E

E

Q

R

G

G

C

A

H

K

L

V

I

I

L

-

H

-

G

G

L

T

M

A

P
x
T

E

S

A

E

E

S

G

G

R

A

R

Q

L

A

A

I

A

S

E

D

F

Y

A

L

E

G

Q

D

Y

N

H

G

I

K

H

G

T

M

Y

A

F

L

S

-

N

-

A

-

D
x
N

L
x
V

R

T

D

N

P

P

E

E

S

S

I

I

H

E

A

A

F

V

M

L

D

K

A

A

G

I

V

T

K

D

A

E

L

F

G

G

S

G

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

Q

T

H

R

T

D

E

N

N

L

V

L

A

M

H

R

F

M

P

K

I

E

D

E

K

E

W

W

N

S

D

D

I

I

I

M

A

E

I

T

N
|
N

L

L

S

T

S

S

A

I

F

F

H

R

T

L

I

S

Q

K

Q

A

A

V

V

L

P

R

A

G

M

M

A

M

E

K

K

K

R

R

W

Q

G

G

R

R

I

I

N

N

I

V

A
x
G

S
|
S

V

V

H

V

G

G

L

T

V

M

A

G

S

N

V

A

N

G

K
x
Q

A

A

A

N

Y
|
Y

C

A

A

A

K
|
K

H

A

G

G

I

V

V

I

G

G

L

F

T

T

K

K

V

S

V

M

A

A

I

R

E

E

C

V

A

A

E

S

Q

R

G

G

I

V

T

T

V

V

N

N

A

T

I

V

C

A

P
|
P

G
|
G

W

F

V

I

D

E

T
|
T

P

D

L

M

I

N

N

D

K

E

Q

Q

I

R

E

T

A

A

I

-

A

-

S

-

N

-

K

-

G

-

L

-

S

-

Y

-

D

-

E

-

A

-

K

-

Y

-

Q

-

L

-

V

T

T

L

A

A

K

Q

Q

V

P

P

L

A

P

G

E

R

M

L

L

G

D

D

P

P

R

R

Q

E

I

I

G

A

E

S

F

A

V

V

L

A

F

F

L

L

C

A

S

S

S

P

A

E

A

A

R

A

G

Y

I

I

T

T

G

G

A

E

S

T

L

L

A

H

M

V

D

N

G

G

active site: G19 (= G47), N113 (= N146), S141 (= S174), Q151 (≠ K184), Y154 (= Y187), K158 (= K191)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G43), S17 (≠ T45), R18 (≠ S46), I20 (= I48), T40 (≠ P70), N62 (≠ D95), V63 (≠ L96), N89 (= N122), A90 (= A123), G140 (≠ A173), S141 (= S174), Y154 (= Y187), K158 (= K191), P184 (= P217), G185 (= G218), T189 (= T222)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
34% identity, 88% coverage: 34:291/292 of query aligns to 3:247/248 of 6ixmC

query
sites
6ixmC

L

L

K

D

G

N

K

K

V

V

G

A

L

L

I

V

T

T

G
|
G

S

A

T

G

S
|
S

G
|
G

I
|
I

G

G

L

L

A

A

T

V

A

A

H

H

V

S

L

Y

A

A

E

K

Q

E

G

G

C

A

H

K

L

V

I

I

L

V

H

S

G
x
D

L
x
I

M

-

P

N

E

E

A

D

E

H

G

G

R

N

R

K

L

A

A

V

A

E

E

D

F

I

A

K

E

A

Q

Q

Y

G

H

G

I

-

H

E

T

A

Y

S

F

F

S

V

N

K

A
|
A

D
|
D

L
x
T

R

S

D

N

P

P

E

E

S

E

I

V

H

E

A

A

F

L

M

V

D

K

A

R

G

T

V

V

K

E

A

I

L

Y

G

G

S

R

I

L

D

D

I

I

L

A

V

C

N

N

N
|
N

A
|
A

G

G

I

I

Q

G

H

G

T

E

E

Q

N

A

V

L

A

A

-

G

H

D

F

Y

P

G

I

L

D

D

K

S

W

W

N

R

D

K

I

V

I

L

A

S

I

I

N

N

L

L

S

D

S

G

A

V

F

F

H

Y

T

G

I

C

Q

K

Q

Y

A

E

V

L

P

E

A

Q

M

M

A

E

E

K

K

N

R

G

W

G

G

G

R

V

I

I

I

V

N

N

I
x
M

A

A

S
|
S

V

I

H

H

G

G

L

I

V

V

A

A

S

A

V

P

N

L

K

S

A

S

A

A

Y
|
Y

C

T

A

S

A

A

K
|
K

H

H

G

A

I

V

V

V

G

G

L

L

T

T

K

K

V

N

V

I

A

G

I

A

E

E

C

Y

A

G

E

Q

Q

K

G

N

I

I

T

R

V

C

N

N

A

A

I

V

C

G

P
|
P

G
x
A

W
x
Y

V
x
I

D

E

T

T

P

P

L
|
L

I

L

N

E

K

S

Q

L

I

T

E

K

A

-

I

-

A

-

S

-

N

-

K

-

G

-

L

-

S

-

Y

-

D

-

E

E

A

M

K

K

Y

E

Q

A

L

L

V

I

T

S

A

-

K

K

Q

H

P

P

L

M

P

G

E

R

M

L

L

G

D

K

P

P

R

E

Q

E

I

V

G

A

E

E

F

L

V

V

L

L

F

F

L

L

C

S

S

S

S

E

A

K

A

S

R

S

G

F

I

M

T

T

G

G

A

G

S

Y

L

Y

A

L

M

V

D

D

G

G

A

G

W

Y

T

T

A

A

active site: G16 (= G47), S142 (= S174), Y155 (= Y187), K159 (= K191)
binding nicotinamide-adenine-dinucleotide: G12 (= G43), S15 (= S46), G16 (= G47), I17 (= I48), D36 (≠ G67), I37 (≠ L68), A61 (= A94), D62 (= D95), T63 (≠ L96), N89 (= N122), A90 (= A123), M140 (≠ I172), S142 (= S174), Y155 (= Y187), K159 (= K191), P185 (= P217), A186 (≠ G218), Y187 (≠ W219), I188 (≠ V220), L192 (= L224)

2rh4B Actinorhodin ketoreductase, actkr, with NADPH and inhibitor emodin (see paper)
35% identity, 89% coverage: 25:283/292 of query aligns to 6:259/268 of 2rh4B

query
sites
2rh4B

S

S

N

H

M

M

A

A

V

T

E

Q

H

D

S

S

S

-

L

-

K

-

G

-

K

E

V

V

G

A

L

L

I

V

T

T

G
|
G

S

A

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

E

T

I

A

A

H

R

V

R

L

L

A

G

E

K

Q

E

G

G

C

L

H

R

L

V

I

F

L

V

H

-

G

-

L

C

M
x
A

P
x
R

E
x
G

A

E

E

E

G

G

R

L

R

R

L

T

A

T

A

L

E

K

F

E

A

L

E

R

Q

E

Y

A

H

G

I

V

H

E

T

A

Y

D

F

G

S

R

N

T

A
x
C

D
|
D

L
x
V

R

R

D

S

P

V

E

P

S

E

I

I

H

E

A

A

F

L

M

V

D

A

A

A

G

V

V

V

K

E

A

R

L

Y

G

G

S

P

I

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

I

R

Q

P

H

G

T

G

E

G

N

A

V

T

A

A

H

E

F

L

P

A

I

D

D

E

K

L

W

W

N

L

D

D

I

V

A

E

I

T

N
|
N

L

L

S

T

S

G

A

V

F

F

H

R

T

V

I

T

Q

K

Q

Q

A

V

V

L

P

K

A

A

-

G

M

M

A

L

E

E

K

R

R

G

W

T

G

G

R

R

I

I

I

V

N

N

I

I

A

A

S
|
S

V

T

H

G

G

G

L

K

V

Q

A

G

S

V

V

V

N

H

K

A

A

A

A

P

Y
|
Y

C

S

A

A

A

S

K
|
K

H

H

G

G

I

V

V

V

G

G

L

F

T

T

K

K

V

A

V

L

A

G

I

L

E

E

C

L

A

A

E

R

Q

T

G

G

I

I

T

T

V

V

N

N

A

A

I

V

C

C

P

P

G
|
G

W

F

V
|
V

D

E

T
|
T

P

P

L
x
M

I

A

N

A

K

S

Q

V

I

R

E

E

A

H

I
x
Y

A

S

S

D

N

I

K

W

G

E

L

V

S

S

Y

T

D

E

E

E

A

A

K

-

Y

F

Q

D

L

R

V

I

T

T

A

A

K

R

Q

V

P

P

L

I

P

G

E

R

M

Y

L

V

D

Q

P

P

R

S

Q

E

I

V

G

A

E

E

F

M

V

V

L

A

F

Y

L

L

C

I

S

G

S

P

A

G

A

A

R

A

G

A

I

V

T

T

G

A

A

Q

S

A

L

L

active site: G24 (= G47), N121 (= N146), S151 (= S174), Y164 (= Y187), K168 (= K191), Y209 (≠ I232)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G20 (= G43), T22 (= T45), S23 (= S46), I25 (= I48), A44 (≠ M69), R45 (≠ P70), G46 (≠ E71), C69 (≠ A94), D70 (= D95), V71 (≠ L96), N97 (= N122), S151 (= S174), Y164 (= Y187), K168 (= K191), G195 (= G218), V197 (= V220), T199 (= T222), M201 (≠ L224)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
33% identity, 88% coverage: 32:287/292 of query aligns to 3:240/244 of 4nbuB

query
sites
4nbuB

S

S

S

R

L

L

K

Q

G

D

K

K

V

V

G

A

L

I

I

I

T

T

G
|
G

S

A

T

A

S
x
N

G
|
G

I
|
I

G

G

L

L

A

E

T

A

A

A

H

R

V

V

L

F

A

M

E

K

Q

E

G

G

C

A

H

K

L

V

I

V

L

I

H

-

G

-

L

-

M

-

P

-

E

-

A

A

E
x
D

G
x
F

R

N

R

E

L

A

A

A

A

G

E

K

F

E

A

A

E

V

Q

E

Y

A

H

N

I

P

H

G

T

V

Y

V

F

F

S

I

N

R

A
x
V

D
|
D

L
x
V

R

S

D

D

P

R

E

E

S

S

I

V

H

H

A

R

F

L

M

V

D

E

A

N

G

V

V

A

K

E

A

R

L

F

G

G

S

K

I

I

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I
|
I

Q

T

H

R

T
x
D

E

S

N

M

V

L

A

S

H
x
K

F

M

P

T

I

V

D

D

K

Q

W

F

N

Q

D

Q

I

V

I

I

A

N

I

V

N
|
N

L

L

S

T

S

G

A

V

F

F

H

H

T

C

I

T

Q

Q

Q

A

A

V

V

L

P

P

A

Y

M

M

A

A

E

E

K

Q

R

G

W

K

G

G

R

K

I

I

N

N

I
x
T

A

S

S
|
S

V

V

H

T

G

G

L

T

V

Y

A

G

S
x
N

V
|
V

N

G

K
x
Q

A

T

A

N

Y
|
Y

C

A

A

A

K
|
K

H

A

G

G

I

V

V

I

G

G

L

M

T

T

K

K

V

T

V

W

A

A

I

K

E

E

C

L

A

A

E

R

Q

K

G

G

I

I

T

N

V

V

N

N

A

A

I

V

C

A

P
|
P

G

G

W
x
F

V
x
T

D

E

T
|
T

P

A

L
x
M

I

V

N

A

K

E

Q

V

I

P

E

E

A

K

I

V

A

-

S

-

N

-

K

-

G

-

L

-

S

-

Y

-

D

-

E

-

A

-

K

-

Y

I

Q

E

L
x
K

V

M

T

K

A

A

K

Q

Q

V

P

P

L

M

P

G

E

R

M

L

L

G

D

K

P

P

R

E

Q

D

I

I

G

A

E

N

F

A

V

Y

L

L

F

F

L

L

C

A

S

S

S

H

A

E

A

S

R

D

G

Y

I

V

T

N

G

G

A

H

S

V

L

L

A

H

M

V

D

D

G

G

active site: G18 (= G47), N111 (= N146), S139 (= S174), Q149 (≠ K184), Y152 (= Y187), K156 (= K191)
binding acetoacetyl-coenzyme a: D93 (≠ T128), K98 (≠ H133), S139 (= S174), N146 (≠ S181), V147 (= V182), Q149 (≠ K184), Y152 (= Y187), F184 (≠ W219), M189 (≠ L224), K200 (≠ L247)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G43), N17 (≠ S46), G18 (= G47), I19 (= I48), D38 (≠ E73), F39 (≠ G74), V59 (≠ A94), D60 (= D95), V61 (≠ L96), N87 (= N122), A88 (= A123), G89 (= G124), I90 (= I125), T137 (≠ I172), S139 (= S174), Y152 (= Y187), K156 (= K191), P182 (= P217), F184 (≠ W219), T185 (≠ V220), T187 (= T222), M189 (≠ L224)

1w4zA Structure of actinorhodin polyketide (actiii) reductase (see paper)
35% identity, 85% coverage: 37:283/292 of query aligns to 5:250/259 of 1w4zA

query
sites
1w4zA

K

E

V

V

G

A

L

L

I

V

T

T

G
|
G

S

A

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

E

T

I

A

A

H

R

V

R

L

L

A

G

E

K

Q

E

G

G

C

L

H

R

L

V

I

F

L

V

H

-

G

-

L

C

M

A

P
x
R

E
x
G

A

E

E

E

G

G

R

L

R

R

L

T

A

T

A

L

E

K

F

E

A

L

E

R

Q

E

Y

A

H

G

I

V

H

E

T

A

Y

D

F

G

S

R

N

T

A

C

D
|
D

L
x
V

R

R

D

S

P

V

E

P

S

E

I

I

H

E

A

A

F

L

M

V

D

A

A

A

G

V

V

V

K

E

A

R

L

Y

G

G

S

P

I

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I

R

Q

P

H

G

T

G

E

G

N

A

V

T

A

A

H

E

F

L

P

A

I

D

D

E

K

L

W

W

N

L

D

D

I

V

A

E

I

T

N
|
N

L

L

S

T

S

G

A

V

F

F

H

R

T

V

I

T

Q

K

Q

Q

A

V

V

L

P

K

A

A

-

G

M

M

A

L

E

E

K

R

R

G

W

T

G

G

R

R

I

I

I

V

N

N

I

I

A

A

S
|
S

V

T

H

G

G

G

L

K

V

Q

A

G

S

V

V

V

N

H

K

A

A

A

A

P

Y
|
Y

C

S

A

A

A

S

K
|
K

H

H

G

G

I

V

V

V

G

G

L

F

T

T

K

K

V

A

V

L

A

G

I

L

E

E

C

L

A

A

E

R

Q

T

G

G

I

I

T

T

V

V

N

N

A

A

I

V

C

C

P
|
P

G
|
G

W

F

V
|
V

D

E

T
|
T

P

P

L

M

I

A

N

A

K

S

Q

V

I

R

E

E

A

H

I
x
Y

A

S

S

D

N

I

K

W

G

E

L

V

S

S

Y

T

D

E

E

E

A

A

K

-

Y

F

Q

D

L

R

V

I

T

T

A

A

K

R

Q

V

P

P

L

I

P

G

E

R

M

Y

L

V

D

Q

P

P

R

S

Q

E

I

V

G

A

E

E

F

M

V

V

L

A

F

Y

L

L

C

I

S

G

S

P

A

G

A

A

R

A

G

A

I

V

T

T

G

A

A

Q

S

A

L

L

active site: G15 (= G47), N112 (= N146), S142 (= S174), Y155 (= Y187), K159 (= K191), Y200 (≠ I232)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G43), T13 (= T45), S14 (= S46), G15 (= G47), I16 (= I48), R36 (≠ P70), G37 (≠ E71), D61 (= D95), V62 (≠ L96), N88 (= N122), G90 (= G124), S142 (= S174), Y155 (= Y187), K159 (= K191), P185 (= P217), G186 (= G218), V188 (= V220), T190 (= T222)

2rh4A Actinorhodin ketoreductase, actkr, with NADPH and inhibitor emodin (see paper)
35% identity, 85% coverage: 37:283/292 of query aligns to 3:248/257 of 2rh4A

query
sites
2rh4A

K

E

V

V

G

A

L

L

I

V

T

T

G
|
G

S

A

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

E

T

I

A

A

H

R

V

R

L

L

A

G

E

K

Q

E

G

G

C

L

H

R

L

V

I

F

L

V

H

-

G

-

L

C

M
x
A

P
x
R

E
x
G

A

E

E

E

G

G

R

L

R

R

L

T

A

T

A

L

E

K

F

E

A

L

E

R

Q

E

Y

A

H

G

I

V

H

E

T

A

Y

D

F

G

S

R

N

T

A
x
C

D
|
D

L
x
V

R

R

D

S

P

V

E

P

S

E

I

I

H

E

A

A

F

L

M

V

D

A

A

A

G

V

V

V

K

E

A

R

L

Y

G

G

S

P

I

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I

R

Q

P

H

G

T

G

E

G

N

A

V

T

A

A

H

E

F

L

P

A

I

D

D

E

K

L

W

W

N

L

D

D

I

V

A

E

I

T

N
|
N

L

L

S

T

S

G

A

V

F

F

H

R

T

V

I

T

Q

K

Q

Q

A

V

V

L

P

K

A

A

-

G

M

M

A

L

E

E

K

R

R

G

W

T

G

G

R

R

I

I

I

V

N

N

I

I

A

A

S
|
S

V
x
T

H

G

G

G

L

K

V
x
Q

A

G

S
x
V

V

V

N

H

K

A

A

A

A

P

Y
|
Y

C

S

A

A

A

S

K
|
K

H

H

G

G

I

V

V

V

G

G

L

F

T

T

K

K

V

A

V

L

A

G

I

L

E

E

C

L

A

A

E

R

Q

T

G

G

I

I

T

T

V

V

N

N

A

A

I

V

C

C

P
|
P

G
|
G

W
x
F

V
|
V

D

E

T
|
T

P

P

L
x
M

I

A

N

A

K

S

Q

V

I

R

E

E

A

H

I
x
Y

A

S

S

D

N

I

K

W

G

E

L

V

S

S

Y

T

D

E

E

E

A

A

K

-

Y

F

Q

D

L

R

V

I

T

T

A

A

K

R

Q

V

P

P

L

I

P

G

E

R

M

Y

L

V

D

Q

P

P

R

S

Q

E

I

V

G

A

E

E

F

M

V

V

L

A

F

Y

L

L

C

I

S

G

S

P

A

G

A

A

R

A

G

A

I

V

T

T

G

A

A

Q

S

A

L

L

active site: G13 (= G47), N110 (= N146), S140 (= S174), Y153 (= Y187), K157 (= K191), Y198 (≠ I232)
binding 3-methyl-1,6,8-trihydroxyanthraquinone: T141 (≠ V175), Q145 (≠ V179), V147 (≠ S181), Y153 (= Y187), F185 (≠ W219)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G9 (= G43), T11 (= T45), S12 (= S46), G13 (= G47), I14 (= I48), A33 (≠ M69), R34 (≠ P70), G35 (≠ E71), C58 (≠ A94), D59 (= D95), V60 (≠ L96), N86 (= N122), G88 (= G124), S140 (= S174), Y153 (= Y187), K157 (= K191), P183 (= P217), G184 (= G218), V186 (= V220), T188 (= T222), M190 (≠ L224)

Sites not aligning to the query:

binding 3-methyl-1,6,8-trihydroxyanthraquinone: 254

1xr3A Actinorhodin polyketide ketoreductase with NADP and the inhibitor isoniazid bound (see paper)
35% identity, 85% coverage: 37:283/292 of query aligns to 2:247/256 of 1xr3A

query
sites
1xr3A

K

E

V

V

G

A

L

L

I

V

T

T

G
|
G

S

A

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

E

T

I

A

A

H

R

V

R

L

L

A

G

E

K

Q

E

G

G

C

L

H

R

L

V

I

F

L

V

H

-

G

-

L

C

M
x
A

P
x
R

E
x
G

A

E

E

E

G

G

R

L

R

R

L

T

A

T

A

L

E

K

F

E

A

L

E

R

Q

E

Y

A

H

G

I

V

H

E

T

A

Y

D

F

G

S

R

N

T

A
x
C

D
|
D

L
x
V

R

R

D

S

P

V

E

P

S

E

I

I

H

E

A

A

F

L

M

V

D

A

A

A

G

V

V

V

K

E

A

R

L

Y

G

G

S

P

I

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

R

Q

P

H

G

T

G

E

G

N

A

V

T

A

A

H

E

F

L

P

A

I

D

D

E

K

L

W

W

N

L

D

D

I

V

A

E

I

T

N
|
N

L

L

S

T

S

G

A

V

F

F

H

R

T

V

I

T

Q

K

Q

Q

A

V

V

L

P

K

A

A

-

G

M

M

A

L

E

E

K

R

R

G

W

T

G

G

R

R

I

I

I

V

N

N

I

I

A

A

S
|
S

V
x
T

H
x
G

G

G

L

K

V

Q

A

G

S
x
V

V

V

N

H

K

A

A

A

A

P

Y
|
Y

C

S

A

A

A

S

K
|
K

H

H

G

G

I

V

V

V

G

G

L

F

T

T

K

K

V

A

V

L

A

G

I

L

E

E

C

L

A

A

E

R

Q

T

G

G

I

I

T

T

V

V

N

N

A

A

I

V

C

C

P

P

G
|
G

W

F

V
|
V

D

E

T
|
T

P
|
P

L

M

I

A

N

A

K

S

Q

V

I

R

E

E

A

H

I
x
Y

A

S

S

D

N

I

K

W

G

E

L

V

S

S

Y

T

D

E

E

E

A

A

K

-

Y

F

Q

D

L

R

V

I

T

T

A

A

K

R

Q

V

P

P

L

I

P

G

E

R

M

Y

L

V

D

Q

P

P

R

S

Q

E

I

V

G

A

E

E

F

M

V

V

L

A

F

Y

L

L

C

I

S

G

S

P

A

G

A

A

R

A

G

A

I

V

T

T

G

A

A

Q

S

A

L

L

active site: G12 (= G47), N109 (= N146), S139 (= S174), Y152 (= Y187), K156 (= K191), Y197 (≠ I232)
binding 4-(diazenylcarbonyl)pyridine: T140 (≠ V175), G141 (≠ H176), V146 (≠ S181)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G43), T10 (= T45), S11 (= S46), G12 (= G47), I13 (= I48), A32 (≠ M69), R33 (≠ P70), G34 (≠ E71), C57 (≠ A94), D58 (= D95), V59 (≠ L96), N85 (= N122), A86 (= A123), G87 (= G124), S139 (= S174), Y152 (= Y187), K156 (= K191), G183 (= G218), V185 (= V220), T187 (= T222), P188 (= P223)

Query Sequence

>7026324 FitnessBrowser__ANA3:7026324
MCAPLCCVQGMGKDCDWILKHRETSNMAVEHSSLKGKVGLITGSTSGIGLATAHVLAEQG
CHLILHGLMPEAEGRRLAAEFAEQYHIHTYFSNADLRDPESIHAFMDAGVKALGSIDILV
NNAGIQHTENVAHFPIDKWNDIIAINLSSAFHTIQQAVPAMAEKRWGRIINIASVHGLVA
SVNKAAYCAAKHGIVGLTKVVAIECAEQGITVNAICPGWVDTPLINKQIEAIASNKGLSY
DEAKYQLVTAKQPLPEMLDPRQIGEFVLFLCSSAARGITGASLAMDGAWTAQ

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