SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_023432598.1 NCBI__GCF_000496075.1:WP_023432598.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

5yssB Crystal structure of aminocaproic acid cyclase in complex with NAD (+) (see paper)
57% identity, 100% coverage: 2:261/261 of query aligns to 1:255/255 of 5yssB

query
sites
5yssB

S

N

L

L

H

T

G

G

K

K

T

T

A

A

L

L

V

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

G

I

I

A

A

R

Q

R

V

L

L

A

A

Q

Q

A

A

G

G

A

A

D

T

V

L

F

I

L

L

N

N

G
|
G

V
x
F

G

G

D

D

E

V

A

D

Q

A

N

-

R

-

A

-

L

-

A

A

R

K

D

D

L

A

G

V

S

A

E

Q

F

Y

G

G

V

K

R

T

S

P

E

G

F

Y

S

H

P

G

A

A

D

D

M
x
L

S

S

R

D

P

E

D

A

E

Q

I

I

E

A

A

D

M

M

C

M

R

R

Q

Y

A

A

L

E

D

S

A

E

F

F

G

G

R

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

V

V

A

S

A

P

V

I

E

E

E

T

F

F

P

P

P

V

E

D

K

K

W

W

D

N

Q

A

I

I

L

I

A

A

I

I

N

N

L

L

S

S

S

S

S

V

F

F

H

H

T

T

I

T

R

R

H

L

L

A

L

L

P

P

G

G

M

M

K

R

A

A

A

R

G

N

W

W

G

G

R

R

I

I

V

I

N

N

T

I

A
|
A

S

S

A

V

H

H

A

G

L

L

F

V

A

A

S

S

P

K

Y

E

K

K

S

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

I

V

A

V

G

G

L

L

T

T

K

K

T

T

V

I

A

A

L

L

E

E

V

T

A

A

Q

Q

M

T

H

E

I

I

T

T

V

C

N

N

A

A

I

L

A

C

P
|
P

G
|
G

Y

W

V
|
V

W

L

T
|
T

P

P

L

L

V

V

E

Q

R

Q

Q

Q

V

I

P

-

D

D

T

K

A

R

R

I

A

A

R

E

G

G

I

-

T

A

E

E

E

P

E

E

V

A

K

A

R

R

D

D

V

A

I

L

L

L

A

A

-

E

A

K

Q

Q

P

P

T

S

K

R

E

E

F

F

V

V

T

T

V

P

E

E

Q

Q

V

L

A

G

S

N

L

L

A

A

H

L

Y

F

L

L

C

C

S

S

D

D

D

G

A

A

K

A

S

Q

I

V

T

R

G

G

T

V

V

A

I

W

S

N

M

M

D

D

G

G

G

G

W

W

S

V

A

A

Q

Q

binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (= T14), S14 (= S15), G15 (= G16), I16 (= I17), G35 (= G36), F36 (≠ V37), L60 (≠ M65), N86 (= N91), G88 (= G93), I89 (= I94), A137 (= A142), Y151 (= Y156), K155 (= K160), P181 (= P186), G182 (= G187), V184 (= V189), T186 (= T191)

2ztlA Closed conformation of d-3-hydroxybutyrate dehydrogenase complexed with NAD+ and l-3-hydroxybutyrate (see paper)
53% identity, 99% coverage: 3:261/261 of query aligns to 2:260/260 of 2ztlA

query
sites
2ztlA

L

L

H

K

G

G

K

K

T

V

A

A

L

V

V

V

T

T

G
|
G

S

S

T

T

S

S

G
|
G

I
|
I

G

G

L

L

A

G

I

I

A

A

R

T

R

A

L

L

A

A

Q

A

A

Q

G

G

A

A

D

D

V

I

F

V

L

L

N

N

G

G

V
x
F

G

G

D

D

E

A

A

A

Q

E

N

I

R

E

A

K

L

V

A

R

R

A

D

G

L

L

G

A

S

A

E

Q

F

H

G

G

V

V

R

K

S

V

E

L

F

Y

S

D

P

G

A

A

D

D

M
x
L

S

S

R

K

P

G

D

E

E

A

I

V

E

R

A

G

M

L

C

V

R

D

Q

N

A

A

L

V

D

R

A

Q

F

M

G

G

R

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

V

T

A

A

A

L

V

I

E

E

E

D

F

F

P

P

P

T

E

E

K

K

W

W

D

D

Q

A

I

I

L

L

A

A

I
x
L

N
|
N

L

L

S

S

S

A

S

V

F

F

H

H

T

G

I

T

R

A

H

A

L

A

L

L

P

P

G

H

M

M

K

K

A

K

A

Q

G

G

W

F

G

G

R

R

I

I

V

I

N

N

T

I

A

A

S
|
S

A

A

H
|
H

A

G

L

L

F

V

A

A

S

S

P

A

Y

N

K
|
K

S

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

I

V

A

V

G

G

L

F

T

T

K

K

T

V

V

T

A

A

L

L

E

E

V

T

A

A

Q

G

M

Q

H

G

I

I

T

T

V

A

N

N

A

A

I

I

A

C

P
|
P

G

G

Y
x
W

V
|
V

W

R

T
|
T

P

P

L

L

V
|
V

E

E

R

K

Q
|
Q

V

I

P

S

D

A

T
x
L

A

A

R

E

A

K

R

N

G

G

I

V

T

D

E

Q

E

E

E

T

V

A

K

A

R

R

D

E

V

L

I

L

L

S

A

E

A

K

Q

Q

P

P

T

S

K

L

E

Q

F

F

V

V

T

T

V

P

E

E

Q

Q

V

L

A

G

S

G

L

T

A

A

H

V

Y

F

L

L

C

A

S

S

D

D

D

A

A

A

K

A

S

Q

I

I

T

T

G

G

T

T

V

T

I

V

S

S

M

V

D

D

G

G

G

G

W

W

S

T

A

A

Q

R

active site: G15 (= G16), N114 (= N115), S142 (= S143), Y155 (= Y156), K159 (= K160), L200 (≠ T201)
binding (3s)-3-hydroxybutanoic acid: Q94 (= Q95), S142 (= S143), H144 (= H145), K152 (= K153), Y155 (= Y156), Q196 (= Q197)
binding nicotinamide-adenine-dinucleotide: G11 (= G12), G15 (= G16), I16 (= I17), F36 (≠ V37), L64 (≠ M65), N90 (= N91), A91 (= A92), G92 (= G93), L113 (≠ I114), Y155 (= Y156), K159 (= K160), P185 (= P186), W187 (≠ Y188), V188 (= V189), T190 (= T191), V193 (= V194)

1wmbA Crystal structure of NAD dependent d-3-hydroxybutylate dehydrogenase (see paper)
53% identity, 99% coverage: 3:261/261 of query aligns to 2:260/260 of 1wmbA

query
sites
1wmbA

L

L

H

K

G

G

K

K

T

V

A

A

L

V

V

V

T

T

G

G

S

S

T

T

S

S

G
|
G

I

I

G

G

L

L

A

G

I

I

A

A

R

T

R

A

L

L

A

A

Q

A

A

Q

G

G

A

A

D

D

V

I

F

V

L

L

N

N

G

G

V

F

G

G

D

D

E

A

A

A

Q

E

N

I

R

E

A

K

L

V

A

R

R

A

D

G

L

L

G

A

S

A

E

Q

F

H

G

G

V

V

R

K

S

V

E

L

F

Y

S

D

P

G

A

A

D

D

M

L

S

S

R

K

P

G

D

E

E

A

I

V

E

R

A

G

M

L

C

V

R

D

Q

N

A

A

L

V

D

R

A

Q

F

M

G

G

R

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

V

T

A

A

A

L

V

I

E

E

E

D

F

F

P

P

P

T

E

E

K

K

W

W

D

D

Q

A

I

I

L

L

A

A

I

L

N
|
N

L

L

S

S

S

A

S

V

F

F

H

H

T

G

I

T

R

A

H

A

L

A

L

L

P

P

G

H

M

M

K

K

A

K

A

Q

G

G

W

F

G

G

R

R

I

I

V

I

N

N

T

I

A

A

S
|
S

A

A

H

H

A

G

L

L

F

V

A

A

S

S

P

A

Y

N

K

K

S

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

I

V

A

V

G

G

L

F

T

T

K

K

T

V

V

T

A

A

L

L

E

E

V

T

A

A

Q

G

M

Q

H

G

I

I

T

T

V

A

N

N

A

A

I

I

A

C

P

P

G

G

Y

W

V

V

W

R

T

T

P

P

L

L

V

V

E

E

R

K

Q

Q

V

I

P

S

D

A

T
x
L

A

A

R

E

A

K

R

N

G

G

I

V

T

D

E

Q

E

E

E

T

V

A

K

A

R

R

D

E

V

L

I

L

L

S

A

E

A

K

Q

Q

P

P

T

S

K

L

E

Q

F

F

V

V

T

T

V

P

E

E

Q

Q

V

L

A

G

S

G

L

T

A

A

H

V

Y

F

L

L

C

A

S

S

D

D

D

A

A

A

K

A

S

Q

I

I

T

T

G

G

T

T

V

T

I

V

S

S

M

V

D

D

G

G

G

G

W
|
W

S

T

A

A

Q

R

active site: G15 (= G16), N114 (= N115), S142 (= S143), Y155 (= Y156), K159 (= K160), L200 (≠ T201)
binding cacodylate ion: S142 (= S143), Y155 (= Y156), W257 (= W258)

5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
52% identity, 99% coverage: 3:261/261 of query aligns to 2:260/260 of 5b4tA

query
sites
5b4tA

L

L

H

K

G

G

K

K

T

K

A

A

L

V

V

V

T

T

G
|
G

S

S

T
|
T

S

S

G
|
G

I
|
I

G

G

L

L

A

A

I

M

A

A

R

T

R

E

L

L

A

A

Q

K

A

A

G

G

A

A

D

D

V

V

F

V

L

I

N

N

G

G

V
x
F

G

G

D

Q

E

P

A

E

Q

D

N

I

R

E

A

R

L

E

A

R

R

S

D

T

L

L

G

E

S

S

E

K

F

F

G

G

V

V

R

K

S

A

E

Y

F

Y

S

L

P

N

A

A

D
|
D

M
x
L

S

S

R

D

P

A

D

Q

E

A

I

T

E

R

A

D

M

F

C

I

R

A

Q

K

A

A

L

A

D

E

A

A

F

L

G

G

R

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

V

T

A

A

A

P

V

I

E

E

E

E

F

F

P

P

P

V

E

D

K

K

W

W

D

N

Q

A

I

I

L

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

S

V

F

F

H

H

T

G

I

T

R

A

H

A

L

A

L

L

P

P

G

I

M

M

K

Q

A

K

A

Q

G

G

W

W

G

G

R

R

I

I

V

I

N

N

T
x
I

A

A

S
|
S

A

A

H
|
H

A

G

L

L

F

V

A

A

S

S

P

V

Y

N

K
|
K

S

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

I

V

A

V

G

G

L

L

T

T

K

K

T

V

V

T

A

A

L

L

E

E

V

N

A

A

Q

G

M

K

H

G

I

I

T

T

V

C

N

N

A

A

I

I

A

C

P
|
P

G
|
G

Y
x
W

V
|
V

W

R

T
|
T

P

P

L
|
L

V
|
V

E

E

R

K

Q
|
Q

V

I

P

E

D

A

T
x
I

A

S

R

Q

A

Q

R

K

G

G

I

I

T

D

E

I

E

E

E

A

V

A

K

A

R

R

D

E

V

L

I

L

L

A

A

E

A

K

Q

Q

P

P

T

S

K

L

E

Q

F

F

V

V

T

T

V

P

E

E

Q

Q

V

L

A

G

S

G

L

A

A

A

H

V

Y

F

L

L

C

S

S

S

D

A

D

A

A

A

K

D

S

Q

I

M

T

T

G

G

T

T

V

T

I

L

S

S

M

L

D

D

G

G

G

G

W

W

S

T

A

A

Q

R

active site: G15 (= G16), N114 (= N115), S142 (= S143), Y155 (= Y156), K159 (= K160), I200 (≠ T201)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q95), S142 (= S143), H144 (= H145), K152 (= K153), Y155 (= Y156), W187 (≠ Y188), Q196 (= Q197)
binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (= T14), G15 (= G16), I16 (= I17), F36 (≠ V37), D63 (= D64), L64 (≠ M65), N90 (= N91), G92 (= G93), L113 (≠ I114), I140 (≠ T141), Y155 (= Y156), K159 (= K160), P185 (= P186), G186 (= G187), W187 (≠ Y188), V188 (= V189), T190 (= T191), L192 (= L193), V193 (= V194)

3w8dA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
52% identity, 99% coverage: 3:261/261 of query aligns to 2:260/260 of 3w8dA

query
sites
3w8dA

L

L

H

K

G

G

K

K

T

K

A

A

L

V

V

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

A

I

M

A

A

R

T

R

E

L

L

A

A

Q

K

A

A

G

G

A

A

D

D

V

V

F

V

L

I

N

N

G

G

V
x
F

G

G

D

Q

E

P

A

E

Q

D

N

I

R

E

A

R

L

E

A

R

R

S

D

T

L

L

G

E

S

S

E

K

F

F

G

G

V

V

R

K

S

A

E

Y

F

Y

S

L

P

N

A
|
A

D
|
D

M
x
L

S

S

R

D

P

A

D

Q

E

A

I

T

E

R

A

D

M

F

C

I

R

A

Q

K

A

A

L

A

D

E

A

A

F

L

G

G

R

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

V

T

A

A

A

P

V

I

E

E

E

E

F

F

P

P

P

V

E

D

K

K

W

W

D

N

Q

A

I

I

L

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

S

V

F

F

H

H

T

G

I

T

R

A

H

A

L

A

L

L

P

P

G

I

M

M

K

Q

A

K

A

Q

G

G

W

W

G

G

R

R

I

I

V

I

N

N

T

I

A

A

S
|
S

A

A

H
|
H

A

G

L

L

F

V

A

A

S

S

P

V

Y

N

K
|
K

S

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

I

V

A

V

G

G

L

L

T

T

K

K

T

V

V

T

A

A

L

L

E

E

V

N

A

A

Q

G

M

K

H

G

I

I

T

T

V

C

N

N

A

A

I

I

A

C

P
|
P

G
|
G

Y
x
W

V
|
V

W

R

T
|
T

P

P

L
|
L

V
|
V

E

E

R

K

Q
|
Q

V

I

P

E

D

A

T
x
I

A

S

R

Q

A

Q

R

K

G

G

I

I

T

D

E

I

E

E

E

A

V

A

K

A

R

R

D

E

V

L

I

L

L

A

A

E

A

K

Q

Q

P

P

T

S

K

L

E

Q

F

F

V

V

T

T

V

P

E

E

Q

Q

V

L

A

G

S

G

L

A

A

A

H

V

Y

F

L

L

C

S

S

S

D

A

D

A

A

A

K

D

S

Q

I

M

T

T

G

G

T

T

V

T

I

L

S

S

M

L

D

D

G

G

G

G

W
|
W

S

T

A

A

Q

R

active site: G15 (= G16), N114 (= N115), S142 (= S143), Y155 (= Y156), K159 (= K160), I200 (≠ T201)
binding methylmalonic acid: Q94 (= Q95), S142 (= S143), H144 (= H145), K152 (= K153), Y155 (= Y156), W187 (≠ Y188), Q196 (= Q197), W257 (= W258)
binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (= T14), S14 (= S15), G15 (= G16), I16 (= I17), F36 (≠ V37), A62 (= A63), D63 (= D64), L64 (≠ M65), N90 (= N91), A91 (= A92), G92 (= G93), L113 (≠ I114), S142 (= S143), Y155 (= Y156), K159 (= K160), P185 (= P186), G186 (= G187), W187 (≠ Y188), V188 (= V189), T190 (= T191), L192 (= L193), V193 (= V194)

3vdrA Crystal structure of d-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate d-3-hydroxybutyrate and NAD(+) (see paper)
52% identity, 99% coverage: 3:261/261 of query aligns to 2:260/260 of 3vdrA

query
sites
3vdrA

L

L

H

K

G

G

K

K

T

K

A

A

L

V

V

V

T

T

G
|
G

S

S

T
|
T

S

S

G
|
G

I
|
I

G

G

L

L

A

A

I

M

A

A

R

T

R

E

L

L

A

A

Q

K

A

A

G

G

A

A

D

D

V

V

F

V

L

I

N

N

G

G

V
x
F

G

G

D

Q

E

P

A

E

Q

D

N

I

R

E

A

R

L

E

A

R

R

S

D

T

L

L

G

E

S

S

E

K

F

F

G

G

V

V

R

K

S

A

E

Y

F

Y

S

L

P

N

A

A

D
|
D

M
x
L

S

S

R

D

P

A

D

Q

E

A

I

T

E

R

A

D

M

F

C

I

R

A

Q

K

A

A

L

A

D

E

A

A

F

L

G

G

R

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

V

T

A

A

A

P

V

I

E

E

E

E

F

F

P

P

P

V

E

D

K

K

W

W

D

N

Q

A

I

I

L

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

S

V

F

F

H

H

T

G

I

T

R

A

H

A

L

A

L

L

P

P

G

I

M

M

K

Q

A

K

A

Q

G

G

W

W

G

G

R

R

I

I

V

I

N

N

T

I

A

A

S
|
S

A

A

H
|
H

A

G

L

L

F

V

A

A

S

S

P

V

Y

N

K
|
K

S

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

I

V

A

V

G

G

L

L

T

T

K

K

T

V

V

T

A

A

L

L

E

E

V

N

A

A

Q

G

M

K

H

G

I

I

T

T

V

C

N

N

A

A

I

I

A

C

P

P

G
|
G

Y
x
W

V
|
V

W

R

T
|
T

P

P

L
|
L

V
|
V

E

E

R

K

Q
|
Q

V

I

P

E

D

A

T
x
I

A

S

R

Q

A

Q

R

K

G

G

I

I

T

D

E

I

E

E

E

A

V

A

K

A

R

R

D

E

V

L

I

L

L

A

A

E

A

K

Q

Q

P

P

T

S

K

L

E

Q

F

F

V

V

T

T

V

P

E

E

Q

Q

V

L

A

G

S

G

L

A

A

A

H

V

Y

F

L

L

C

S

S

S

D

A

D

A

A

A

K

D

S

Q

I

M

T

T

G

G

T

T

V

T

I

L

S

S

M

L

D

D

G

G

G

G

W
|
W

S

T

A

A

Q

R

active site: G15 (= G16), N114 (= N115), S142 (= S143), Y155 (= Y156), K159 (= K160), I200 (≠ T201)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q95), H144 (= H145), K152 (= K153), Y155 (= Y156), W187 (≠ Y188), Q196 (= Q197), W257 (= W258)
binding acetoacetic acid: Q94 (= Q95), H144 (= H145), K152 (= K153), Y155 (= Y156), W187 (≠ Y188), Q196 (= Q197), W257 (= W258)
binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (= T14), I16 (= I17), F36 (≠ V37), D63 (= D64), L64 (≠ M65), N90 (= N91), A91 (= A92), G92 (= G93), L113 (≠ I114), K159 (= K160), G186 (= G187), V188 (= V189), T190 (= T191), L192 (= L193), V193 (= V194)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G12), T13 (= T14), I16 (= I17), F36 (≠ V37), D63 (= D64), L64 (≠ M65), N90 (= N91), A91 (= A92), G92 (= G93), L113 (≠ I114), S142 (= S143), Y155 (= Y156), K159 (= K160), G186 (= G187), V188 (= V189), T190 (= T191), L192 (= L193), V193 (= V194)

3vdqA Crystal structure of alcaligenes faecalis d-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate (see paper)
52% identity, 99% coverage: 3:261/261 of query aligns to 2:260/260 of 3vdqA

query
sites
3vdqA

L

L

H

K

G

G

K

K

T

K

A

A

L

V

V

V

T

T

G
|
G

S

S

T

T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

A

I

M

A

A

R

T

R

E

L

L

A

A

Q

K

A

A

G

G

A

A

D

D

V

V

F

V

L

I

N

N

G

G

V
x
F

G

G

D

Q

E

P

A

E

Q

D

N

I

R

E

A

R

L

E

A

R

R

S

D

T

L

L

G

E

S

S

E

K

F

F

G

G

V

V

R

K

S

A

E

Y

F

Y

S

L

P

N

A

A

D
|
D

M
x
L

S

S

R

D

P

A

D

Q

E

A

I

T

E

R

A

D

M

F

C

I

R

A

Q

K

A

A

L

A

D

E

A

A

F

L

G

G

R

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

V

T

A

A

A

P

V

I

E

E

E

E

F

F

P

P

P

V

E

D

K

K

W

W

D

N

Q

A

I

I

L

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

S

V

F

F

H

H

T

G

I

T

R

A

H

A

L

A

L

L

P

P

G

I

M

M

K

Q

A

K

A

Q

G

G

W

W

G

G

R

R

I

I

V

I

N

N

T
x
I

A

A

S
|
S

A

A

H
|
H

A

G

L

L

F

V

A

A

S

S

P

V

Y

N

K
|
K

S

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

I

V

A

V

G

G

L

L

T

T

K

K

T

V

V

T

A

A

L

L

E

E

V

N

A

A

Q

G

M

K

H

G

I

I

T

T

V

C

N

N

A

A

I

I

A

C

P
|
P

G
|
G

Y
x
W

V
|
V

W

R

T
|
T

P

P

L
|
L

V
|
V

E

E

R

K

Q
|
Q

V

I

P

E

D

A

T
x
I

A

S

R

Q

A

Q

R

K

G

G

I

I

T

D

E

I

E

E

E

A

V

A

K

A

R

R

D

E

V

L

I

L

L

A

A

E

A

K

Q

Q

P

P

T

S

K

L

E

Q

F

F

V

V

T

T

V

P

E

E

Q

Q

V

L

A

G

S

G

L

A

A

A

H

V

Y

F

L

L

C

S

S

S

D

A

D

A

A

A

K

D

S

Q

I

M

T

T

G

G

T

T

V

T

I

L

S

S

M

L

D

D

G

G

G

G

W

W

S

T

A

A

Q

R

active site: G15 (= G16), N114 (= N115), S142 (= S143), Y155 (= Y156), K159 (= K160), I200 (≠ T201)
binding acetate ion: Q94 (= Q95), H144 (= H145), K152 (= K153), W187 (≠ Y188), L192 (= L193), Q196 (= Q197)
binding nicotinamide-adenine-dinucleotide: G11 (= G12), S14 (= S15), I16 (= I17), F36 (≠ V37), D63 (= D64), L64 (≠ M65), N90 (= N91), A91 (= A92), G92 (= G93), L113 (≠ I114), I140 (≠ T141), S142 (= S143), Y155 (= Y156), K159 (= K160), P185 (= P186), G186 (= G187), W187 (≠ Y188), V188 (= V189), T190 (= T191), L192 (= L193), V193 (= V194)

2q2qD Structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas putida (see paper)
53% identity, 100% coverage: 2:261/261 of query aligns to 1:255/255 of 2q2qD

query
sites
2q2qD

S

T

L

L

H

K

G

G

K

K

T

T

A

A

L

L

V

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

G

I

I

A

A

R

Q

R

V

L

L

A

A

Q

R

A

A

G

G

A

A

D

N

V

I

F

V

L

L

N

N

G

G

V
x
F

G

G

D

D

E

P

A

A

Q

P

N

-

R

-

A

A

L

L

A

A

R

E

D

I

L

-

G

-

S

A

E

R

F

H

G

G

V

V

R

K

S

A

E

V

F

H

S

H

P

P

A

A

D
|
D

M
x
L

S

S

R

D

P

V

D

A

E

Q

I

I

E

E

A

A

M

L

C

F

R

A

Q

L

A

A

L

E

D

R

A

E

F

F

G

G

R

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

V

V

A

A

A

P

V

V

E

E

E

Q

F

F

P

P

P

L

E

E

K

S

W

W

D

D

Q

K

I

I

L

I

A

A

I
x
L

N

N

L

L

S

S

S

A

S

V

F

F

H

H

T

G

I

T

R

R

H

L

L

A

L

L

P

P

G

G

M

M

K

R

A

A

A

R

G

N

W

W

G

G

R

R

I

I

V

I

N

N

T
x
I

A

A

S
|
S

A

V

H

H

A

G

L

L

F

V

A

G

S

S

P

T

Y

G

K

K

S

A

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

I

V

A

V

G

G

L

L

T

T

K

K

T

V

V

V

A

G

L

L

E

E

V

T

A

A

Q

T

M

S

H

N

I

V

T

T

V

C

N

N

A

A

I

I

A

C

P
|
P

G
|
G

Y
x
W

V
|
V

W

L

T
|
T

P

P

L
|
L

V
|
V

E

Q

R

K

Q

Q

V

I

P

D

D

D

T
x
R

A

A

R

-

A

A

R

N

G

G

I

G

T

D

E

P

E

L

E

Q

V

A

K

Q

R

H

D

D

V

L

I

L

L

A

A

E

A

K

Q

Q

P

P

T

S

K

L

E

A

F

F

V

V

T

T

V

P

E

E

Q

H

V

L

A

G

S

E

L

L

A

V

H

L

Y

F

L

L

C

C

S

S

D

E

D

A

A

G

K

S

S

Q

I

V

T

R

G

G

T

A

V

A

I

W

S

N

M

V

D

D

G

G

G

G

W

W

S

L

A

A

Q

Q

active site: G15 (= G16), S138 (= S143), Y151 (= Y156), K155 (= K160), R196 (≠ T201)
binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (= T14), S14 (= S15), G15 (= G16), I16 (= I17), F36 (≠ V37), D59 (= D64), L60 (≠ M65), N86 (= N91), G88 (= G93), L109 (≠ I114), I136 (≠ T141), S138 (= S143), Y151 (= Y156), K155 (= K160), P181 (= P186), G182 (= G187), W183 (≠ Y188), V184 (= V189), T186 (= T191), L188 (= L193), V189 (= V194)

1x1tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas fragi complexed with NAD+ (see paper)
50% identity, 99% coverage: 3:261/261 of query aligns to 2:236/236 of 1x1tA

query
sites
1x1tA

L

L

H

K

G

G

K

K

T

V

A

A

L

V

V

V

T

T

G
|
G

S

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

G

I

I

A

A

R

T

R

A

L

L

A

A

Q

A

A

Q

G

G

A

A

D

D

V

I

F

V

L

L

N

N

G
|
G

V
x
F

G

G

D

D

E

A

A

A

Q

E

N

I

R

E

A

K

L

V

A

R

R

A

D

G

L

L

G

A

S

A

E

Q

F

H

G

G

V

V

R

K

S

V

E

L

F

Y

S

D

P

G

A

A

D
|
D

M
x
L

S

S

R

K

P

G

D

E

E

A

I

V

E

R

A

G

M

L

C

V

R

D

Q

N

A

A

L

V

D

R

A

Q

F

M

G

G

R

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

V

T

A

A

A

L

V

I

E

E

E

D

F

F

P

P

P

T

E

E

K

K

W

W

D

D

Q

A

I

I

L

L

A

A

I
x
L

N
|
N

L

L

S

S

S

A

S

V

F

F

H

H

T

G

I

T

R

A

H

A

L

A

L

L

P

P

G

H

M

M

K

K

A

K

A

Q

G

G

W

F

G

G

R

R

I

I

V

I

N

N

T

I

A

A

S
|
S

A

A

H
|
H

A

G

L

L

F

V

A

A

S

S

P

A

Y

N

K

K

S

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

I

V

A

V

G

G

L

F

T

T

K

K

T

V

V

T

A

A

L

L

E

E

V

T

A

A

Q

G

M

Q

H

G

I

I

T

T

V

A

N

N

A

A

I

I

A

C

P
|
P

G

G

Y
x
W

V
|
V

W

R

T
|
T

P

L

L

L

V

S

E

E

R

K

Q

-

V

-

P

-

D

-

T

-

A

-

R

-

A

-

R

-

G

-

I

-

T

-

E

-

E

-

E

-

V

-

K

-

R

-

D

-

V

-

I

-

L

-

A

-

A

-

Q

Q

P

P

T

S

K

L

E

Q

F

F

V

V

T

T

V

P

E

E

Q

Q

V

L

A

G

S

G

L

T

A

A

H

V

Y

F

L

L

C

A

S

S

D

D

D

A

A

A

K

A

S

Q

I

I

T

T

G

G

T

T

V

T

I

V

S

S

M

V

D

D

G

G

G

G

W
|
W

S

T

A

A

Q

R

active site: G15 (= G16), N114 (= N115), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding cacodylate ion: S142 (= S143), H144 (= H145), Y155 (= Y156), W187 (≠ Y188), W233 (= W258)
binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (= T14), S14 (= S15), G15 (= G16), I16 (= I17), G35 (= G36), F36 (≠ V37), D63 (= D64), L64 (≠ M65), N90 (= N91), G92 (= G93), L113 (≠ I114), S142 (= S143), Y155 (= Y156), K159 (= K160), P185 (= P186), W187 (≠ Y188), V188 (= V189), T190 (= T191)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
44% identity, 99% coverage: 3:261/261 of query aligns to 4:260/260 of 6zzqA

query
sites
6zzqA

L

L

H

D

G

G

K

K

T

V

A

A

L

F

V

I

T

T

G
|
G

S

S

T

A

S
|
S

G
|
G

I
|
I

G

G

L

L

A

E

I

I

A

A

R

K

R

K

L

F

A

A

Q

Q

A

E

G

G

A

A

D

K

V

V

F

V

L

I

N

S

G
x
D

V
x
M

G

N

D

A

E

E

A

-

Q

K

N

C

R

Q

A

E

L

T

A

A

R

N

D

S

L

L

G

-

S

K

E

E

F

Q

G

G

V

F

R

D

S

A

E

L

F

S

S

A

P

P

A

C

D
|
D

M
x
V

S

T

R

D

P

E

D

D

E

A

I

Y

E

K

A

Q

M

A

C

I

R

E

Q

L

A

T

L

Q

D

K

A

T

F

F

G

G

R

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

V

V

A

A

A

P

V

I

E

E

E

E

F

F

P

P

P

T

E

A

K

V

W

F

D

Q

Q

K

I

L

L

V

A

Q

I

V

N

M

L

L

S

T

S

G

S

A

F

F

H

I

T

G

I

I

R

K

H

H

L

V

L

L

P

P

G

I

M

M

K

K

A

A

A

Q

G

K

W

Y

G

G

R

R

I

I

V

I

N

N

T
x
M

A
|
A

S
|
S

A

I

H

N

A

G

L

L

F

I

A

G

S

F

P

A

Y

G

K
|
K

S

A

A

G

Y
|
Y

V

N

A

S

A

A

K
|
K

H

H

G

G

I

V

A

I

G

G

L

L

T

T

K

K

T

V

V

A

A

A

L

L

E

E

V

C

A

A

Q

R

M

D

H

G

I

I

T

T

V

V

N

N

A

A

I

L

A

C

P

P

G

G

Y
|
Y

V
|
V

W

D

T
|
T

P

P

L

L

V

V

E

R

R

G

Q
|
Q

V

I

P

A

D

D

T

L

A

A

R

K

A

T

R

R

G

N

I

V

T

S

E

L

E

D

E

S

V

A

K

L

R

E

D

D

V

V

I

I

L

L

A

A

A

M

Q

V

P

P

T

Q

K

K

E

R

F

L

V

L

T

S

V

V

E

E

Q

E

V

I

A

A

S

D

L

Y

A

A

H

I

Y

F

L

L

C

A

S

S

D

S

D

K

A

A

K

G

S

G

I

V

T

T

G

G

T

Q

V

A

I

V

S

V

M

M

D

D

G

G

G

G

W

Y

S

T

A

A

Q

Q

active site: G17 (= G16), S142 (= S143), Y155 (= Y156)
binding acetoacetic acid: Q94 (= Q95), S142 (= S143), K152 (= K153), Y155 (= Y156), Q196 (= Q197)
binding nicotinamide-adenine-dinucleotide: G13 (= G12), S16 (= S15), G17 (= G16), I18 (= I17), D37 (≠ G36), M38 (≠ V37), D63 (= D64), V64 (≠ M65), N90 (= N91), A91 (= A92), G92 (= G93), M140 (≠ T141), A141 (= A142), S142 (= S143), Y155 (= Y156), K159 (= K160), Y187 (= Y188), V188 (= V189), T190 (= T191)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
44% identity, 99% coverage: 3:261/261 of query aligns to 5:261/261 of 6zzsD

query
sites
6zzsD

L

L

H

D

G

G

K

K

T

V

A

A

L

F

V

I

T

T

G
|
G

S

S

T

A

S
|
S

G
|
G

I
|
I

G

G

L

L

A

E

I

I

A

A

R

K

R

K

L

F

A

A

Q

Q

A

E

G

G

A

A

D

K

V

V

F

V

L

I

N

S

G
x
D

V
x
M

G

N

D

A

E

E

A

-

Q

K

N

C

R

Q

A

E

L

T

A

A

R

N

D

S

L

L

G

-

S

K

E

E

F

Q

G

G

V

F

R

D

S

A

E

L

F

S

S

A

P

P

A

C

D
|
D

M
x
V

S

T

R

D

P

E

D

D

E

A

I

Y

E

K

A

Q

M

A

C

I

R

E

Q

L

A

T

L

Q

D

K

A

T

F

F

G

G

R

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

V

V

A

A

A

P

V

I

E

E

E

E

F

F

P

P

P

T

E

A

K

V

W

F

D

Q

Q

K

I

L

L

V

A

Q

I

V

N

M

L

L

S

T

S

G

S

A

F

F

H

I

T

G

I

I

R

K

H

H

L

V

L

L

P

P

G

I

M

M

K

K

A

A

A

Q

G

K

W

Y

G

G

R

R

I

I

V

I

N

N

T
x
M

A
|
A

S
|
S

A

I

H
x
N

A

G

L

L

F

I

A

G

S

F

P

A

Y

G

K
|
K

S

A

A

G

Y
|
Y

V

N

A

S

A

A

K
|
K

H

H

G

G

I

V

A

I

G

G

L

L

T

T

K

K

T

V

V

A

A

A

L

L

E

E

V

C

A

A

Q

R

M

D

H

G

I

I

T

T

V

V

N

N

A

A

I

L

A

C

P
|
P

G
|
G

Y

Y

V
|
V

W

D

T
|
T

P

P

L
|
L

V

V

E

R

R

G

Q
|
Q

V

I

P

A

D

D

T

L

A

A

R

K

A

T

R

R

G

N

I

V

T

S

E

L

E

D

E

S

V

A

K

L

R

E

D

D

V

V

I

I

L

L

A

A

A

M

Q

V

P

P

T

Q

K

K

E

R

F

L

V

L

T

S

V

V

E

E

Q

E

V

I

A

A

S

D

L

Y

A

A

H

I

Y

F

L

L

C

A

S

S

D

S

D

K

A

A

K

G

S

G

I

V

T

T

G

G

T

Q

V

A

I

V

S

V

M

M

D

D

G

G

G

G

W

Y

S

T

A

A

Q

Q

active site: G18 (= G16), S143 (= S143), Y156 (= Y156)
binding nicotinamide-adenine-dinucleotide: G14 (= G12), S17 (= S15), I19 (= I17), D38 (≠ G36), M39 (≠ V37), D64 (= D64), V65 (≠ M65), N91 (= N91), A92 (= A92), G93 (= G93), M141 (≠ T141), A142 (= A142), S143 (= S143), Y156 (= Y156), K160 (= K160), P186 (= P186), G187 (= G187), V189 (= V189), T191 (= T191), L193 (= L193)
binding 3-oxidanylidenepentanoic acid: Q95 (= Q95), S143 (= S143), N145 (≠ H145), K153 (= K153), Y156 (= Y156), Q197 (= Q197)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
36% identity, 99% coverage: 3:260/261 of query aligns to 3:247/248 of 6ixmC

query
sites
6ixmC

L

L

H

D

G

N

K

K

T

V

A

A

L

L

V

V

T

T

G
|
G

S

A

T

G

S
|
S

G
|
G

I
|
I

G

G

L

L

A

A

I

V

A

A

R

H

R

S

L

Y

A

A

Q

K

A

E

G

G

A

A

D

K

V

V

F

I

L

V

N

S

G
x
D

V
x
I

G

N

D

E

E

D

A

H

Q

G

N

N

R

K

A

A

L

V

A

-

R

E

D

D

L

I

G

K

S

A

E

Q

F

G

G

G

V

-

R

E

S

A

E

S

F

F

S

V

P

K

A
|
A

D
|
D

M
x
T

S

S

R

N

P

P

D

E

E

E

I

V

E

E

A

A

M

L

C

V

R

K

Q

R

A

T

L

V

D

E

A

I

F

Y

G

G

R

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

V

E

A

Q

A

A

V

L

E

A

-

G

E

D

F

Y

P

G

P

L

E

D

K

S

W

W

D

R

Q

K

I

V

L

L

A

S

I

I

N

N

L

L

S

D

S

G

S

V

F

F

H

Y

T

G

I

C

R

K

H

Y

L

E

L

L

P

E

G

Q

M

M

K

E

A

K

A

N

G

G

W

G

G

G

R

V

I

I

V

V

N

N

T
x
M

A

A

S
|
S

A

I

H

H

A

G

L

I

F

V

A

A

S

A

P

P

Y

L

K

S

S

S

A

A

Y
|
Y

V

T

A

S

A

A

K
|
K

H

H

G

A

I

V

A

V

G

G

L

L

T

T

K

K

T

N

V

I

A

G

L

A

E

E

V

Y

A

G

Q

Q

M

K

H

N

I

I

T

R

V

C

N

N

A

A

I

V

A

G

P
|
P

G
x
A

Y
|
Y

V
x
I

W

E

T

T

P

P

L
|
L

V

L

E

E

R

S

Q

-

V

-

P

-

D

-

T

-

A

-

R

-

A

-

R

-

G

-

I

L

T

T

E

K

E

E

E

-

V

-

K

M

R

K

D

E

V

A

I

L

L

I

A

S

A

K

Q

H

P

P

T

M

K

G

E

R

F

L

V

G

T

K

V

P

E

E

Q

E

V

V

A

A

S

E

L

L

A

V

H

L

Y

F

L

L

C

S

S

S

D

E

D

K

A

S

K

S

S

F

I

M

T

T

G

G

T

G

V

Y

I

Y

S

L

M

V

D

D

G

G

G

G

W

Y

S

T

A

A

active site: G16 (= G16), S142 (= S143), Y155 (= Y156), K159 (= K160)
binding nicotinamide-adenine-dinucleotide: G12 (= G12), S15 (= S15), G16 (= G16), I17 (= I17), D36 (≠ G36), I37 (≠ V37), A61 (= A63), D62 (= D64), T63 (≠ M65), N89 (= N91), A90 (= A92), M140 (≠ T141), S142 (= S143), Y155 (= Y156), K159 (= K160), P185 (= P186), A186 (≠ G187), Y187 (= Y188), I188 (≠ V189), L192 (= L193)

3sjuA Hedamycin polyketide ketoreductase bound to NADPH (see paper)
41% identity, 97% coverage: 6:257/261 of query aligns to 1:251/255 of 3sjuA

query
sites
3sjuA

K

Q

T

T

A

A

L

F

V

V

T

T

G
|
G

S

V

T

S

S
|
S

G
|
G

I

I

G

G

L

L

A

A

I

V

A

A

R

R

R

T

L

L

A

A

Q

A

A

R

G

G

A

I

D

A

V

V

F

Y

L

-

N

-

G

G

V

C

G
x
A

D
x
R

E
x
D

A

A

Q

K

N

N

R

V

A

S

L

A

A

A

R

V

D

D

L

G

G

L

S

R

E

A

F

A

G

G

V

H

R

D

S

V

E

D

F

G

S

S

P

S

A
x
C

D
|
D

M
x
V

S

T

R

S

P

T

D

D

E

E

I

V

E

H

A

A

M

A

C

V

R

A

Q

A

A

A

L

V

D

E

A

R

F

F

G

G

R

P

I

I

D

G

I

I

L

L

V

V

N

N

N
x
S

A
|
A

G
|
G

I

R

Q

N

H

G

V

G

A

G

A

E

V

T

E

A

E

D

F

L

P

D

P

D

E

A

K

L

W

W

D

A

Q

D

I

V

L

L

A

D

I

T

N

N

L

L

S

T

S

G

S

V

F

F

H

R

T

V

I

T

R

R

H

E

L

V

L

L

-

R

-

A

P

G

G

G

M

M

K

R

A

E

A

A

G

G

W

W

G

G

R

R

I

I

V

V

N

N

T
x
I

A

A

S
|
S

A

T

H

G

A

G

L

K

F

Q

A

G

S

V

P

M

Y

Y

K

A

S

A

A

P

Y
|
Y

V

T

A

A

A

S

K
|
K

H

H

G

G

I

V

A

V

G

G

L

F

T

T

K

K

T

S

V

V

A

G

L

F

E

E

V

L

A

A

Q

K

M

T

H

G

I

I

T

T

V

V

N

N

A

A

I

V

A

C

P
|
P

G
|
G

Y
|
Y

V
|
V

W

E

T
|
T

P

P

L
x
M

V

A

E

E

R

R

Q

V

V

R

P

E

D

G

T
x
Y

A

A

R

R

A

H

R

W

G

G

I

V

T

T

E

E

E

Q

E

E

V

V

K

-

R

H

D

E

V

R

I

F

L

N

A

A

A

K

Q

I

P

P

T

L

K

G

E

R

F

Y

V

S

T

T

V

P

E

E

Q

E

V

V

A

A

S

G

L

L

A

V

H

G

Y

Y

L

L

C

V

S

T

D

D

D

A

A

A

K

A

S

S

I

I

T

T

G

A

T

Q

V

A

I

L

S

N

M

V

D

C

G

G

G

G

active site: G11 (= G16), S138 (= S143), Y151 (= Y156), K155 (= K160), Y196 (≠ T201)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G7 (= G12), S10 (= S15), A31 (≠ G38), R32 (≠ D39), D33 (≠ E40), C56 (≠ A63), D57 (= D64), V58 (≠ M65), S84 (≠ N91), A85 (= A92), G86 (= G93), I136 (≠ T141), Y151 (= Y156), K155 (= K160), P181 (= P186), G182 (= G187), Y183 (= Y188), V184 (= V189), T186 (= T191), M188 (≠ L193)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
36% identity, 99% coverage: 1:258/261 of query aligns to 1:245/247 of 4jroC

query
sites
4jroC

M

M

S

T

L

L

H

Q

G

G

K

K

T

V

A

A

L

V

V

V

T

T

G
|
G

S

G

T
x
S

S
x
R

G
|
G

I
|
I

G

G

L

R

A

D

I

I

A

A

R

I

R

N

L

L

A

A

Q

K

A

E

G

G

A

A

D

N

V

I

F

F

L

F

N
|
N

G
x
Y

V
x
N

G
|
G

D
x
S

E

P

A

E

Q

A

N

A

R

E

A

E

L

T

A

A

R

K

D

-

L

L

G

V

S

A

E

E

F

H

G

G

V

V

R

E

S

V

E

E

F

A

S

M

P

K

A

A

D
x
N

M
x
V

S

A

R

I

P

A

D

E

E

D

I

V

E

D

A

A

M

F

C

F

R

K

Q

Q

A

A

L

I

D

E

A

R

F

F

G

G

R

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

V

D

A

N

A

L

V

L

E

M

E

R

F

M

P

K

P

E

E

D

K

E

W

W

D

D

Q

D

I

V

L

I

A

N

I
|
I

N

N

L

L

S

K

S

G

S

T

F

F

H

L

T

C

I

T

R

K

H

A

L

V

L

S

P

R

G

T

M

M

K

M

A

K

A

Q

G

R

W

A

G

G

R

K

I

I

V

I

N

N

T

M

A

A

S
|
S

A

V

H

V

A

G

L

L

F

I

A

G

S

N

P

A

Y

G

K
x
Q

S

A

A

N

Y
|
Y

V

V

A

A

A

S

K
|
K

H

A

G

G

I

V

A

I

G

G

L

L

T

T

K

K

T

T

V

T

A

A

L

R

E

E

V

L

A

A

Q

P

M

R

H

G

I

I

T

N

V

V

N

N

A

A

I

V

A

A

P
|
P

G

G

Y

F

V
x
I

W

T

T
|
T

P

D

L

M

V

T

E

D

R

K

Q

L

V

-

P

-

D

-

T

-

A

-

R

-

A

-

R

-

G

-

I

-

T

-

E

-

E

D

E

E

V

K

K

T

R

K

D

E

V

A

I

M

L

L

A

A

A

Q

Q

I

P

P

T

L

K

G

E

A

F

Y

V

G

T

T

V

T

E

E

Q

D

V

I

A

A

S

N

L

A

A

V

H

L

Y

F

L

L

C

A

S

S

D

D

D

A

A

S

K

K

S

Y

I

I

T

T

G

G

T

Q

V

T

I

L

S

S

M

V

D

D

G

G

G

G

W

M

active site: G16 (= G16), S142 (= S143), Q152 (≠ K153), Y155 (= Y156), K159 (= K160)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G12), S14 (≠ T14), R15 (≠ S15), G16 (= G16), I17 (= I17), N35 (= N35), Y36 (≠ G36), N37 (≠ V37), G38 (= G38), S39 (≠ D39), N63 (≠ D64), V64 (≠ M65), N90 (= N91), A91 (= A92), I93 (= I94), I113 (= I114), S142 (= S143), Y155 (= Y156), K159 (= K160), P185 (= P186), I188 (≠ V189), T190 (= T191)

8y83A Crystal structure of a ketoreductase from sphingobacterium siyangense sy1 with co-enzyme
36% identity, 98% coverage: 6:260/261 of query aligns to 7:248/249 of 8y83A

query
sites
8y83A

K

K

T

V

A

A

L

L

V

V

T

T

G
|
G

S

S

T

G

S
|
S

G
|
G

I
|
I

G

G

L

L

A

A

I

V

A

A

R

L

R

A

L

Y

A

G

Q

K

A

E

G

G

A

A

D

K

V

V

F

V

L

I

N

S

G
x
D

V
x
I

G

N

D

E

E

Q

A

A

Q

G

N

N

R

E

A

T

L

V

A

K

R

Q

-

I

-

E

D

S

L

L

G

G

S

G

E

E

F

-

G

-

V

-

R

-

S

A

E

V

F

F

S

F

P

K

A
|
A

D
|
D

M
x
S

S

S

R

S

P

P

D

A

E

D

I

N

E

E

A

A

M

L

C

V

R

G

Q

Y

A

A

L

V

D

K

A

T

F

F

G

G

R

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

V

E

A

A

A

A

V

L

E

T

-

G

E

D

F

Y

P

S

P

L

E

D

K

G

W

W

D

K

Q

K

I

V

L

I

A

D

I

I

N

N

L

F

S

N

S

G

S

V

F

F

H

Y

T

G

I

C

R

K

H

Y

L

Q

L

I

P

E

G

A

M

M

K

E

A

R

A

N

G

G

W

G

G

G

R

V

I

I

V

V

N

N

T
x
M

A

A

S

S

A

I

H

H

A

G

L

T

F

V

A

A

S

A

P

P

Y

M

K

S

S

S

A

A

Y
|
Y

V

T

A

S

A

A

K
|
K

H

H

G

A

I

V

A

V

G

G

L

L

T

T

K

K

T

N

V

I

A

G

L

A

E

E

V

Y

A

G

Q

Q

M

K

H

N

I

I

T

R

V

C

N

N

A

A

I

V

A

G

P
|
P

G
|
G

Y
|
Y

V
x
I

W

D

T

T

P

P

L
|
L

V

L

E

A

R

K

Q

-

V

-

P

-

D

-

T

-

A

-

R

-

A

-

R

-

G

-

I

L

T

D

E

K

E

E

E

H

V

I

K

-

R

-

D

N

V

A

I

L

L

I

A

S

A

K

Q

H

P

P

T

I

K

G

E

R

F

L

V

G

T

K

V

A

E

E

Q

E

V

V

A

A

S

E

L

L

A

V

H

L

Y

F

L

L

C

S

S

S

D

D

D

K

A

S

K

S

S

F

I

M

T

T

G

G

T

G

V

Y

I

Y

S

L

M

V

D

D

G

G

G

G

W

Y

S

T

A

A

binding nicotinamide-adenine-dinucleotide: G13 (= G12), S16 (= S15), G17 (= G16), I18 (= I17), D37 (≠ G36), I38 (≠ V37), A62 (= A63), D63 (= D64), S64 (≠ M65), N90 (= N91), M141 (≠ T141), Y156 (= Y156), K160 (= K160), P186 (= P186), G187 (= G187), Y188 (= Y188), I189 (≠ V189), L193 (= L193)

6zzpA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from psychrobacter arcticus complexed with NAD+ and 3-oxovalerate (see paper)
38% identity, 98% coverage: 3:258/261 of query aligns to 8:262/265 of 6zzpA

query
sites
6zzpA

L