SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ac3H11_360 D-beta-hydroxybutyrate dehydrogenase (EC 1.1.1.30) 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)
64% identity, 100% coverage: 2:260/260 of query aligns to 2:255/255 of 5yssB

query
sites
5yssB

L

L

K

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

G

G

I

I

A

A

K

Q

A

V

L

L

A

A

R

Q

Q

A

G

G

A

A

N

T

I

L

V

I

L

L

N
|
N

G
|
G

F
|
F

G

G

D

D

V

V

D

D

G

A

P

A

R

K

A

D

E

A

V

V

L

A

A

Q

A

Y

G

G

A

K

A

T

A

P

E

-

V

-

Q

-

V

-

A

G

Y

Y

H

H

G

G

A
|
A

D
|
D

M
x
L

S

S

R

D

A

E

A

A

D

Q

I

I

E

A

D

D

M

M

M

M

K

R

S

Y

S

A

A

E

A

S

Q

E

F

F

G

G

R

G

V

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

N

P

V

I

E

E

D

T

F

F

P

P

V

V

E

D

R

K

W

W

D

N

S

A

V

I

I

I

A

A

I
|
I

N

N

L

L

T

S

S

S

A

V

F

F

H

H

T

T

S

T

R

R

L

L

A

A

L

L

P

P

A

G

M

M

K

R

S

A

A

R

N

N

W

W

G

G

R

R

I

I

I

I

N

N

V
x
I

A
|
A

S
|
S

V

V

H

H

G

G

L

L

V

V

G

A

S

S

A

K

Q

E

K

K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

V

V

G

G

L

L

T

T

K

K

V

T

T

I

A

A

L

L

E

E

N

T

A

A

T

Q

T

T

G

E

V

I

T

T

C

C

N

N

A

A

I

L

C

C

P
|
P

G
|
G

W
|
W

V
|
V

L

L

T
|
T

P
|
P

L
|
L

V

V

Q

Q

K

Q

Q

Q

V

I

D

D

A

K

K

R

A

I

A

A

E

E

H

-

G

G

L

A

S

E

N

P

E

E

D

A

A

A

K

R

K

D

L

A

L

L

L

L

G

A

E

E

K

K

E

Q

P

P

S

S

M

R

Q

E

F

F

T

V

T

T

P

P

E

E

E

Q

L

L

G

G

E

N

L

L

A

A

V

L

F

F

F

L

C

C

S

S

P

D

A

G

A

A

N

A

N

Q

V

V

R

R

G

G

V

V

A

A

W

W

N

N

M

M

D

D

G

G

G

G

W

W

A

V

A

A

Q

Q

binding nicotinamide-adenine-dinucleotide: G11 (= G11), T13 (= T13), S14 (= S14), G15 (= G15), I16 (= I16), N34 (= N34), G35 (= G35), F36 (= F36), A58 (= A62), D59 (= D63), L60 (≠ M64), N86 (= N90), A87 (= A91), G88 (= G92), I89 (= I93), I109 (= I113), I136 (≠ V140), A137 (= A141), S138 (= S142), Y151 (= Y155), K155 (= K159), P181 (= P185), G182 (= G186), W183 (= W187), V184 (= V188), T186 (= T190), P187 (= P191), L188 (= L192)

2q2qD Structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas putida (see paper)
66% identity, 100% coverage: 2:260/260 of query aligns to 2:255/255 of 2q2qD

query
sites
2q2qD

L

L

K

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

G

G

I

I

A

A

K

Q

A

V

L

L

A

A

R

R

Q

A

G

G

A

A

N

N

I

I

V

V

L

L

N
|
N

G
|
G

F
|
F

G

G

D

D

V

P

D

A

G

P

P

A

R

L

A

A

E

E

V

I

L

A

A

R

A

H

G

G

A

-

A

-

A

-

E

-

V

V

Q

K

V

A

A

V

Y

H

H

H

G

P

A
|
A

D
|
D

M
x
L

S

S

R

D

A

V

A

A

D

Q

I

I

E

E

D

A

M

L

M

F

K

A

S

L

S

A

A

E

A

R

Q

E

F

F

G

G

R

G

V

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

N

P

V

V

E

E

D

Q

F

F

P

P

V

L

E

E

R

S

W

W

D

D

S

K

V

I

I

I

A

A

I
x
L

N

N

L

L

T

S

S

A

A

V

F

F

H

H

T

G

S

T

R

R

L

L

A

A

L

L

P

P

A

G

M

M

K

R

S

A

A

R

N

N

W

W

G

G

R

R

I

I

I

I

N

N

V
x
I

A
|
A

S
|
S

V

V

H

H

G

G

L

L

V

V

G

G

S

S

A

T

Q

G

K

K

A

A

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

V

V

G

G

L

L

T

T

K

K

V

V

T

V

A

G

L

L

E

E

N

T

A

A

T

T

T

S

G

N

V

V

T

T

C

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

L

L

T
|
T

P
|
P

L
|
L

V
|
V

Q

Q

K

K

Q

Q

V

I

D

D

A

D

K
x
R

A

A

A

A

E

N

H

G

G

G

L

-

S

D

N

P

E

L

D

Q

A

A

K

Q

K

H

L

D

L

L

L

L

G

A

E

E

K

K

E

Q

P

P

S

S

M

L

Q

A

F

F

T

V

T

T

P

P

E

E

E

H

L

L

G

G

E

E

L

L

A

V

V

L

F

F

F

L

C

C

S

S

P

E

A

A

A

G

N

S

N

Q

V

V

R

R

G

G

V

A

A

A

W

W

N

N

M

V

D

D

G

G

G

G

W

W

A

L

A

A

Q

Q

active site: G15 (= G15), S138 (= S142), Y151 (= Y155), K155 (= K159), R196 (≠ K200)
binding nicotinamide-adenine-dinucleotide: G11 (= G11), T13 (= T13), S14 (= S14), G15 (= G15), I16 (= I16), N34 (= N34), G35 (= G35), F36 (= F36), A58 (= A62), D59 (= D63), L60 (≠ M64), N86 (= N90), A87 (= A91), G88 (= G92), I89 (= I93), L109 (≠ I113), I136 (≠ V140), A137 (= A141), S138 (= S142), Y151 (= Y155), K155 (= K159), P181 (= P185), G182 (= G186), W183 (= W187), V184 (= V188), T186 (= T190), P187 (= P191), L188 (= L192), V189 (= V193)

2ztlA Closed conformation of d-3-hydroxybutyrate dehydrogenase complexed with NAD+ and l-3-hydroxybutyrate (see paper)
60% identity, 100% coverage: 1:260/260 of query aligns to 1:260/260 of 2ztlA

query
sites
2ztlA

M

M

L

L

K

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

G

G

I

I

A

A

K

T

A

A

L

L

A

A

R

A

Q

Q

G

G

A

A

N

D

I

I

V

V

L

L

N
|
N

G
|
G

F
|
F

G

G

D

D

V

A

D

-

G

-

P

A

R

E

A

I

E

E

V

K

L

V

A

R

A

A

G

G

A

L

A

A

A

A

E

Q

-

H

-

G

V

V

Q

K

V

V

A

L

Y

Y

H

D

G

G

A
|
A

D
|
D

M
x
L

S

S

R

K

A

G

A

E

D

A

I

V

E

R

D

G

M

L

M

V

K

D

S

N

S

A

A

V

A

R

Q

Q

F

M

G

G

R

R

V

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

N

L

V

I

E

E

D

D

F

F

P

P

V

T

E

E

R

K

W

W

D

D

S

A

V

I

I

L

A

A

I
x
L

N
|
N

L

L

T

S

S

A

A

V

F

F

H

H

T

G

S

T

R

A

L

A

A

A

L

L

P

P

A

H

M

M

K

K

S

K

A

Q

N

G

W

F

G

G

R

R

I

I

I

I

N

N

V
x
I

A
|
A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

G

A

S

S

A

A

Q

N

K
|
K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

V

V

G

G

L

F

T

T

K

K

V

V

T

T

A

A

L

L

E

E

N

T

A

A

T

G

T

Q

G

G

V

I

T

T

C

A

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

L

R

T
|
T

P
|
P

L
|
L

V
|
V

Q

E

K

K

Q
|
Q

V

I

D

S

A

A

K
x
L

A

A

A

E

E

K

H

N

G

G

L

V

S

D

N

Q

E

E

D

T

A

A

K

A

K

R

L

E

L

L

L

L

G

S

E

E

K

K

E

Q

P

P

S

S

M

L

Q

Q

F

F

T

V

T

T

P

P

E

E

E

Q

L

L

G

G

E

G

L

T

A

A

V

V

F

F

F

L

C

A

S

S

P

D

A

A

A

A

N

A

N

Q

V

I

R

T

G

G

V

T

A

T

W

V

N

S

M

V

D

D

G

G

G

G

W
|
W

A

T

A

A

Q

R

active site: G15 (= G15), N114 (= N114), S142 (= S142), Y155 (= Y155), K159 (= K159), L200 (≠ K200)
binding (3s)-3-hydroxybutanoic acid: Q94 (= Q94), S142 (= S142), H144 (= H144), K152 (= K152), Y155 (= Y155), G186 (= G186), W187 (= W187), L192 (= L192), Q196 (= Q196), W257 (= W257)
binding nicotinamide-adenine-dinucleotide: G11 (= G11), T13 (= T13), S14 (= S14), G15 (= G15), I16 (= I16), N34 (= N34), G35 (= G35), F36 (= F36), A62 (= A62), D63 (= D63), L64 (≠ M64), N90 (= N90), A91 (= A91), G92 (= G92), I93 (= I93), L113 (≠ I113), I140 (≠ V140), A141 (= A141), S142 (= S142), Y155 (= Y155), K159 (= K159), P185 (= P185), G186 (= G186), W187 (= W187), V188 (= V188), T190 (= T190), P191 (= P191), L192 (= L192), V193 (= V193)

1wmbA Crystal structure of NAD dependent d-3-hydroxybutylate dehydrogenase (see paper)
60% identity, 100% coverage: 1:260/260 of query aligns to 1:260/260 of 1wmbA

query
sites
1wmbA

M

M

L

L

K

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

G

G

I

I

A

A

K

T

A

A

L

L

A

A

R

A

Q

Q

G

G

A

A

N

D

I

I

V

V

L

L

N

N

G

G

F

F

G

G

D

D

V

A

D

-

G

-

P

A

R

E

A

I

E

E

V

K

L

V

A

R

A

A

G

G

A

L

A

A

A

A

E

Q

-

H

-

G

V

V

Q

K

V

V

A

L

Y

Y

H

D

G

G

A

A

D

D

M

L

S

S

R

K

A

G

A

E

D

A

I

V

E

R

D

G

M

L

M

V

K

D

S

N

S

A

A

V

A

R

Q

Q

F

M

G

G

R

R

V

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

N

L

V

I

E

E

D

D

F

F

P

P

V

T

E

E

R

K

W

W

D

D

S

A

V

I

I

L

A

A

I

L

N
|
N

L

L

T

S

S

A

A

V

F

F

H

H

T

G

S

T

R

A

L

A

A

A

L

L

P

P

A

H

M

M

K

K

S

K

A

Q

N

G

W

F

G

G

R

R

I

I

I

I

N

N

V

I

A

A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

G

A

S

S

A

A

Q

N

K

K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

V

V

G

G

L

F

T

T

K

K

V

V

T

T

A

A

L

L

E

E

N

T

A

A

T

G

T

Q

G

G

V

I

T

T

C

A

N

N

A

A

I

I

C

C

P

P

G
|
G

W

W

V

V

L

R

T

T

P

P

L

L

V

V

Q

E

K

K

Q

Q

V

I

D

S

A

A

K
x
L

A

A

A

E

E

K

H

N

G

G

L

V

S

D

N

Q

E

E

D

T

A

A

K

A

K

R

L

E

L

L

L

L

G

S

E

E

K

K

E

Q

P

P

S

S

M

L

Q

Q

F

F

T

V

T

T

P

P

E

E

E

Q

L

L

G

G

E

G

L

T

A

A

V

V

F

F

F

L

C

A

S

S

P

D

A

A

A

A

N

A

N

Q

V

I

R

T

G

G

V

T

A

T

W

V

N

S

M

V

D

D

G

G

G

G

W
|
W

A

T

A

A

Q

R

active site: G15 (= G15), N114 (= N114), S142 (= S142), Y155 (= Y155), K159 (= K159), L200 (≠ K200)
binding cacodylate ion: Q94 (= Q94), S142 (= S142), H144 (= H144), Y155 (= Y155), G186 (= G186), W257 (= W257)

5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
55% identity, 100% coverage: 1:260/260 of query aligns to 1:260/260 of 5b4tA

query
sites
5b4tA

M

M

L

L

K

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

G

A

I

M

A

A

K

T

A

E

L

L

A

A

R

K

Q

A

G

G

A

A

N

D

I

V

V

V

L

I

N
|
N

G
|
G

F
|
F

G

G

D

Q

V

P

D

E

G

D

P

I

R

E

A

R

E

E

V

R

L

S

A

T

A

L

G

E

A

S

A

K

A

F

E

G

V

V

Q

K

V

A

A

Y

Y

Y

H

L

G

N

A
|
A

D
|
D

M
x
L

S

S

R

D

A

A

A

Q

D

A

I

T

E

R

D

D

M

F

M

I

K

A

S

K

S

A

A

A

A

E

Q

A

F

L

G

G

R

G

V

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

N

P

V

I

E

E

D

E

F

F

P

P

V

V

E

D

R

K

W

W

D

N

S

A

V

I

I

I

A

A

I
x
L

N
|
N

L

L

T

S

S

A

A

V

F

F

H

H

T

G

S

T

R

A

L

A

A

A

L

L

P

P

A

I

M

M

K

Q

S

K

A

Q

N

G

W

W

G

G

R

R

I

I

I

I

N

N

V
x
I

A
|
A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

G

A

S

S

A

V

Q

N

K
|
K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

V

V

G

G

L

L

T

T

K

K

V

V

T

T

A

A

L

L

E

E

N

N

A

A

T

G

T

K

G

G

V

I

T

T

C

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

L

R

T
|
T

P
|
P

L
|
L

V
|
V

Q

E

K

K

Q
|
Q

V

I

D

E

A

A

K
x
I

A

S

A

Q

E

Q

H

K

G

G

L

I

S

D

N

I

E

E

D

A

A

A

K

A

K

R

L

E

L

L

L

L

G

A

E

E

K

K

E

Q

P

P

S

S

M

L

Q

Q

F

F

T

V

T

T

P

P

E

E

E

Q

L

L

G

G

E

G

L

A

A

A

V

V

F

F

F

L

C

S

S

S

P

A

A

A

A

A

N

D

N

Q

V

M

R

T

G

G

V

T

A

T

W

L

N

S

M

L

D

D

G

G

G

G

W
|
W

A

T

A

A

Q

R

active site: G15 (= G15), N114 (= N114), S142 (= S142), Y155 (= Y155), K159 (= K159), I200 (≠ K200)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q94), S142 (= S142), H144 (= H144), K152 (= K152), Y155 (= Y155), W187 (= W187), L192 (= L192), Q196 (= Q196), W257 (= W257)
binding nicotinamide-adenine-dinucleotide: G11 (= G11), T13 (= T13), S14 (= S14), G15 (= G15), I16 (= I16), N34 (= N34), G35 (= G35), F36 (= F36), A62 (= A62), D63 (= D63), L64 (≠ M64), N90 (= N90), A91 (= A91), G92 (= G92), I93 (= I93), L113 (≠ I113), I140 (≠ V140), A141 (= A141), S142 (= S142), Y155 (= Y155), K159 (= K159), P185 (= P185), G186 (= G186), W187 (= W187), V188 (= V188), T190 (= T190), P191 (= P191), L192 (= L192), V193 (= V193)

3w8dA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
55% identity, 100% coverage: 1:260/260 of query aligns to 1:260/260 of 3w8dA

query
sites
3w8dA

M

M

L

L

K

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

G

A

I

M

A

A

K

T

A

E

L

L

A

A

R

K

Q

A

G

G

A

A

N

D

I

V

V

V

L

I

N
|
N

G
|
G

F
|
F

G

G

D

Q

V

P

D

E

G

D

P

I

R

E

A

R

E

E

V

R

L

S

A

T

A

L

G

E

A

S

A

K

A

F

E

G

V

V

Q

K

V

A

A

Y

Y

Y

H

L

G

N

A
|
A

D
|
D

M
x
L

S

S

R

D

A

A

A

Q

D

A

I

T

E

R

D

D

M

F

M

I

K

A

S

K

S

A

A

A

A

E

Q

A

F

L

G

G

R

G

V

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

N

P

V

I

E

E

D

E

F

F

P

P

V

V

E

D

R

K

W

W

D

N

S

A

V

I

I

I

A

A

I
x
L

N
|
N

L

L

T

S

S

A

A

V

F

F

H

H

T

G

S

T

R

A

L

A

A

A

L

L

P

P

A

I

M

M

K

Q

S

K

A

Q

N

G

W

W

G

G

R

R

I

I

I

I

N

N

V
x
I

A
|
A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

G

A

S

S

A

V

Q

N

K
|
K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

V

V

G

G

L

L

T

T

K

K

V

V

T

T

A

A

L

L

E

E

N

N

A

A

T

G

T

K

G

G

V

I

T

T

C

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

L

R

T
|
T

P
|
P

L
|
L

V
|
V

Q

E

K

K

Q
|
Q

V

I

D

E

A

A

K
x
I

A

S

A

Q

E

Q

H

K

G

G

L

I

S

D

N

I

E

E

D

A

A

A

K

A

K

R

L

E

L

L

L

L

G

A

E

E

K

K

E

Q

P

P

S

S

M

L

Q

Q

F

F

T

V

T

T

P

P

E

E

E

Q

L

L

G

G

E

G

L

A

A

A

V

V

F

F

F

L

C

S

S

S

P

A

A

A

A

A

N

D

N

Q

V

M

R

T

G

G

V

T

A

T

W

L

N

S

M

L

D

D

G

G

G

G

W
|
W

A

T

A

A

Q

R

active site: G15 (= G15), N114 (= N114), S142 (= S142), Y155 (= Y155), K159 (= K159), I200 (≠ K200)
binding methylmalonic acid: Q94 (= Q94), S142 (= S142), H144 (= H144), K152 (= K152), Y155 (= Y155), W187 (= W187), L192 (= L192), Q196 (= Q196), W257 (= W257)
binding nicotinamide-adenine-dinucleotide: G11 (= G11), T13 (= T13), S14 (= S14), G15 (= G15), I16 (= I16), N34 (= N34), G35 (= G35), F36 (= F36), A62 (= A62), D63 (= D63), L64 (≠ M64), N90 (= N90), A91 (= A91), G92 (= G92), I93 (= I93), L113 (≠ I113), I140 (≠ V140), A141 (= A141), S142 (= S142), Y155 (= Y155), K159 (= K159), P185 (= P185), G186 (= G186), W187 (= W187), V188 (= V188), T190 (= T190), P191 (= P191), L192 (= L192), V193 (= V193)

3vdrA Crystal structure of d-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate d-3-hydroxybutyrate and NAD(+) (see paper)
55% identity, 100% coverage: 1:260/260 of query aligns to 1:260/260 of 3vdrA

query
sites
3vdrA

M

M

L

L

K

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

G

A

I

M

A

A

K

T

A

E

L

L

A

A

R

K

Q

A

G

G

A

A

N

D

I

V

V

V

L

I

N

N

G

G

F
|
F

G

G

D

Q

V

P

D

E

G

D

P

I

R

E

A

R

E

E

V

R

L

S

A

T

A

L

G

E

A

S

A

K

A

F

E

G

V

V

Q

K

V

A

A

Y

Y

Y

H

L

G

N

A

A

D
|
D

M
x
L

S

S

R

D

A

A

A

Q

D

A

I

T

E

R

D

D

M

F

M

I

K

A

S

K

S

A

A

A

A

E

Q

A

F

L

G

G

R

G

V

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

N

P

V

I

E

E

D

E

F

F

P

P

V

V

E

D

R

K

W

W

D

N

S

A

V

I

I

I

A

A

I
x
L

N
|
N

L

L

T

S

S

A

A

V

F

F

H

H

T

G

S

T

R

A

L

A

A

A

L

L

P

P

A

I

M

M

K

Q

S

K

A

Q

N

G

W

W

G

G

R

R

I

I

I

I

N

N

V
x
I

A
|
A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

G

A

S

S

A

V

Q

N

K
|
K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

V

V

G

G

L

L

T

T

K

K

V

V

T

T

A

A

L

L

E

E

N

N

A

A

T

G

T

K

G

G

V

I

T

T

C

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

L

R

T
|
T

P

P

L
|
L

V
|
V

Q

E

K

K

Q
|
Q

V

I

D

E

A

A

K
x
I

A

S

A

Q

E

Q

H

K

G

G

L

I

S

D

N

I

E

E

D

A

A

A

K

A

K

R

L

E

L

L

L

L

G

A

E

E

K

K

E

Q

P

P

S

S

M

L

Q

Q

F

F

T

V

T

T

P

P

E

E

E

Q

L

L

G

G

E

G

L

A

A

A

V

V

F

F

F

L

C

S

S

S

P

A

A

A

A

A

N

D

N

Q

V

M

R

T

G

G

V

T

A

T

W

L

N

S

M

L

D

D

G

G

G

G

W
|
W

A

T

A

A

Q

R

active site: G15 (= G15), N114 (= N114), S142 (= S142), Y155 (= Y155), K159 (= K159), I200 (≠ K200)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q94), S142 (= S142), H144 (= H144), K152 (= K152), Y155 (= Y155), W187 (= W187), L192 (= L192), Q196 (= Q196), W257 (= W257)
binding acetoacetic acid: Q94 (= Q94), S142 (= S142), H144 (= H144), K152 (= K152), Y155 (= Y155), G186 (= G186), W187 (= W187), L192 (= L192), Q196 (= Q196), W257 (= W257)
binding nicotinamide-adenine-dinucleotide: G11 (= G11), T13 (= T13), S14 (= S14), G15 (= G15), I16 (= I16), F36 (= F36), D63 (= D63), L64 (≠ M64), N90 (= N90), A91 (= A91), G92 (= G92), L113 (≠ I113), I140 (≠ V140), A141 (= A141), S142 (= S142), Y155 (= Y155), K159 (= K159), P185 (= P185), G186 (= G186), W187 (= W187), V188 (= V188), T190 (= T190), L192 (= L192), V193 (= V193)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G11), T13 (= T13), S14 (= S14), G15 (= G15), I16 (= I16), F36 (= F36), D63 (= D63), L64 (≠ M64), N90 (= N90), A91 (= A91), G92 (= G92), L113 (≠ I113), I140 (≠ V140), A141 (= A141), S142 (= S142), Y155 (= Y155), K159 (= K159), P185 (= P185), G186 (= G186), W187 (= W187), V188 (= V188), T190 (= T190), L192 (= L192), V193 (= V193)

3vdqA Crystal structure of alcaligenes faecalis d-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate (see paper)
55% identity, 100% coverage: 1:260/260 of query aligns to 1:260/260 of 3vdqA

query
sites
3vdqA

M

M

L

L

K

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

G

A

I

M

A

A

K

T

A

E

L

L

A

A

R

K

Q

A

G

G

A

A

N

D

I

V

V

V

L

I

N
|
N

G

G

F
|
F

G

G

D

Q

V

P

D

E

G

D

P

I

R

E

A

R

E

E

V

R

L

S

A

T

A

L

G

E

A

S

A

K

A

F

E

G

V

V

Q

K

V

A

A

Y

Y

Y

H

L

G

N

A
|
A

D
|
D

M
x
L

S
|
S

R

D

A

A

A

Q

D

A

I

T

E

R

D

D

M

F

M

I

K

A

S

K

S

A

A

A

A

E

Q

A

F

L

G

G

R

G

V

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

N

P

V

I

E

E

D

E

F

F

P

P

V

V

E

D

R

K

W

W

D

N

S

A

V

I

I

I

A

A

I
x
L

N
|
N

L

L

T

S

S

A

A

V

F

F

H

H

T

G

S

T

R

A

L

A

A

A

L

L

P

P

A

I

M

M

K

Q

S

K

A

Q

N

G

W

W

G

G

R

R

I

I

I

I

N

N

V
x
I

A
|
A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

G

A

S

S

A

V

Q

N

K
|
K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

V

V

G

G

L

L

T

T

K

K

V

V

T

T

A

A

L

L

E

E

N

N

A

A

T

G

T

K

G

G

V

I

T

T

C

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

L

R

T
|
T

P
|
P

L
|
L

V
|
V

Q

E

K

K

Q
|
Q

V

I

D

E

A

A

K
x
I

A

S

A

Q

E

Q

H

K

G

G

L

I

S

D

N

I

E

E

D

A

A

A

K

A

K

R

L

E

L

L

L

L

G

A

E

E

K

K

E

Q

P

P

S

S

M

L

Q

Q

F

F

T

V

T

T

P

P

E

E

E

Q

L

L

G

G

E

G

L

A

A

A

V

V

F

F

F

L

C

S

S

S

P

A

A

A

A

A

N

D

N

Q

V

M

R

T

G

G

V

T

A

T

W

L

N

S

M

L

D

D

G

G

G

G

W

W

A

T

A

A

Q

R

active site: G15 (= G15), N114 (= N114), S142 (= S142), Y155 (= Y155), K159 (= K159), I200 (≠ K200)
binding acetate ion: Q94 (= Q94), H144 (= H144), K152 (= K152), Y155 (= Y155), W187 (= W187), L192 (= L192), Q196 (= Q196)
binding nicotinamide-adenine-dinucleotide: G11 (= G11), T13 (= T13), S14 (= S14), G15 (= G15), I16 (= I16), N34 (= N34), F36 (= F36), A62 (= A62), D63 (= D63), L64 (≠ M64), S65 (= S65), N90 (= N90), A91 (= A91), G92 (= G92), L113 (≠ I113), I140 (≠ V140), A141 (= A141), S142 (= S142), Y155 (= Y155), K159 (= K159), P185 (= P185), G186 (= G186), W187 (= W187), V188 (= V188), T190 (= T190), P191 (= P191), L192 (= L192), V193 (= V193)

1x1tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas fragi complexed with NAD+ (see paper)
56% identity, 100% coverage: 1:260/260 of query aligns to 1:236/236 of 1x1tA

query
sites
1x1tA

M

M

L

L

K

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

G

G

I

I

A

A

K

T

A

A

L

L

A

A

R

A

Q

Q

G

G

A

A

N

D

I

I

V

V

L

L

N
|
N

G
|
G

F
|
F

G

G

D

D

V

A

D

-

G

-

P

A

R

E

A

I

E

E

V

K

L

V

A

R

A

A

G

G

A

L

A

A

A

A

E

Q

-

H

-

G

V

V

Q

K

V

V

A

L

Y

Y

H

D

G

G

A
|
A

D
|
D

M
x
L

S
|
S

R

K

A

G

A

E

D

A

I

V

E

R

D

G

M

L

M

V

K

D

S

N

S

A

A

V

A

R

Q

Q

F

M

G

G

R

R

V

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

N

L

V

I

E

E

D

D

F

F

P

P

V

T

E

E

R

K

W

W

D

D

S

A

V

I

I

L

A

A

I
x
L

N
|
N

L

L

T

S

S

A

A

V

F

F

H

H

T

G

S

T

R

A

L

A

A

A

L

L

P

P

A

H

M

M

K

K

S

K

A

Q

N

G

W

F

G

G

R

R

I

I

I

I

N

N

V
x
I

A
|
A

S
|
S

V

A

H
|
H

G

G

L

L

V

V

G

A

S

S

A

A

Q

N

K
|
K

A

S

A

A

Y
|
Y

V

V

A

A

A

A

K
|
K

H

H

G

G

V

V

V

V

G

G

L

F

T

T

K

K

V

V

T

T

A

A

L

L

E

E

N

T

A

A

T

G

T

Q

G

G

V

I

T

T

C

A

N

N

A

A

I

I

C

C

P
|
P

G
|
G

W
|
W

V
|
V

L

R

T
|
T

P

-

L

-

V

-

Q

-

K

-

Q

-

V

-

D

-

A

-

K

-

A

-

A

-

E

-

H

-

G

-

L

-

S

-

N

-

E

-

D

-

A

-

K

-

K

-

L

-

L

L

L

L

G

S

E

E

K

K

E

Q

P

P

S

S

M

L

Q

Q

F

F

T

V

T

T

P

P

E

E

E

Q

L

L

G

G

E

G

L

T

A

A

V

V

F

F

F

L

C

A

S

S

P

D

A

A

A

A

N

A

N

Q

V

I

R

T

G

G

V

T

A

T

W

V

N

S

M

V

D

D

G

G

G

G

W
|
W

A

T

A

A

Q

R

active site: G15 (= G15), N114 (= N114), S142 (= S142), Y155 (= Y155), K159 (= K159)
binding cacodylate ion: S142 (= S142), H144 (= H144), K152 (= K152), Y155 (= Y155), W187 (= W187), W233 (= W257)
binding nicotinamide-adenine-dinucleotide: G11 (= G11), T13 (= T13), S14 (= S14), G15 (= G15), I16 (= I16), N34 (= N34), G35 (= G35), F36 (= F36), A62 (= A62), D63 (= D63), L64 (≠ M64), S65 (= S65), N90 (= N90), A91 (= A91), G92 (= G92), L113 (≠ I113), I140 (≠ V140), A141 (= A141), S142 (= S142), Y155 (= Y155), K159 (= K159), P185 (= P185), G186 (= G186), W187 (= W187), V188 (= V188), T190 (= T190)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
42% identity, 100% coverage: 1:260/260 of query aligns to 3:260/260 of 6zzqA

query
sites
6zzqA

M

L

L

L

K

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

G

E

I

I

A

A

K

K

A

K

L

F

A

A

R

Q

Q

E

G

G

A

A

N

K

I

V

V

V

L

I

N

S

G

-

F

-

G

-

D
|
D

V
x
M

D

N

G

A

P

E

R

K

A

C

E

Q

V

E

L

T

A

A

A

N

G

-

A

-

A

-

A

-

E

-

V

-

Q

S

V

L

A

K

Y

E

H

Q

G

G

A

F

D

D

-

A

M

L

S

S

R

A

A

P

A
x
C

D
|
D

I
x
V

-

T

-

D

E

E

D

D

M

A

M

Y

K

K

S

Q

-

A

-

I

-

E

-

L

S

T

A

Q

A

K

Q

T

F

F

G

G

R

T

V

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I
x
F

Q
|
Q

H

H

V

V

A

A

N

P

V

I

E

E

D

E

F

F

P

P

V

T

E

A

R

V

W

F

D

Q

S
x
K

V

L

I

V

A

Q

I
x
V

N

M

L

L

T

T

S

G

A

A

F

F

H

I

T

G

S

I

R

K

L

H

A

V

L

L

P

P

A

I

M

M

K

K

S

A

A

Q

N

K

W

Y

G

G

R

R

I

I

I

I

N

N

V
x
M

A
|
A

S
|
S

V

I

H
x
N

G

G

L

L

V

I

G

G

S

F

A

A

Q

G

K
|
K

A

A

A

G

Y
|
Y

V

N

A

S

A

A

K
|
K

H

H

G

G

V

V

V

I

G

G

L

L

T

T

K

K

V

V

T

A

A

A

L

L

E

E

N

C

A

A

T

R

T

D

G

G

V

I

T

T

C

V

N

N

A

A

I

L

C

C

P
|
P

G
|
G

W
x
Y

V
|
V

L

D

T
|
T

P

P

L
|
L

V
|
V

Q

R

K

G

Q
|
Q

V

I

D

A

A

D

K

L

A

A

A

K

E

T

H

R

G

N

L

V

S

S

N

L

E

D

D

S

A

A

K

L

K

E

L

D

L

V

L

I

G

L

E

A

K

M

E

V

P

P

S

Q

M

K

Q

R

F

L

T

L

T

S

P

V

E

E

E

E

L

I

G

A

E

D

L

Y

A

A

V

I

F

F

F

L

C

A

S

S

P

S

A

K

A

A

N

G

N

G

V

V

R

T

G

G

V

Q

A

A

W

V

N

V

M

M

D

D

G

G

G

G

W

Y

A

T

A

A

Q

Q

active site: G17 (= G15), S142 (= S142), Y155 (= Y155)
binding acetoacetic acid: F93 (≠ I93), Q94 (= Q94), K109 (≠ S109), V113 (≠ I113), S142 (= S142), N144 (≠ H144), K152 (= K152), Y155 (= Y155), Y187 (≠ W187), Q196 (= Q196)
binding nicotinamide-adenine-dinucleotide: G13 (= G11), S16 (= S14), G17 (= G15), I18 (= I16), D37 (= D38), M38 (≠ V39), C62 (≠ A68), D63 (= D69), V64 (≠ I70), N90 (= N90), A91 (= A91), G92 (= G92), V113 (≠ I113), M140 (≠ V140), A141 (= A141), S142 (= S142), Y155 (= Y155), K159 (= K159), P185 (= P185), G186 (= G186), Y187 (≠ W187), V188 (= V188), T190 (= T190), L192 (= L192), V193 (= V193)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
42% identity, 100% coverage: 1:260/260 of query aligns to 4:261/261 of 6zzsD

query
sites
6zzsD

M

L

L

L

K

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

G

E

I

I

A

A

K

K

A

K

L

F

A

A

R

Q

Q

E

G

G

A

A

N

K

I

V

V

V

L

I

N

S

G

-

F

-

G

-

D
|
D

V
x
M

D

N

G

A

P

E

R

K

A

C

E

Q

V

E

L

T

A

A

A

N

G

-

A

-

A

-

A

-

E

-

V

-

Q

S

V

L

A

K

Y

E

H

Q

G

G

A

F

D

D

-

A

M

L

S

S

R

A

A

P

A
x
C

D
|
D

I
x
V

-

T

-

D

E

E

D

D

M

A

M

Y

K

K

S

Q

-

A

-

I

-

E

-

L

S

T

A

Q

A

K

Q

T

F

F

G

G

R

T

V

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I
x
F

Q
|
Q

H

H

V

V

A

A

N

P

V

I

E

E

D

E

F

F

P

P

V

T

E

A

R

V

W

F

D

Q

S

K

V

L

I

V

A

Q

I
x
V

N

M

L

L

T

T

S

G

A

A

F

F

H

I

T

G

S

I

R

K

L

H

A

V

L

L

P

P

A

I

M

M

K

K

S

A

A

Q

N

K

W

Y

G

G

R

R

I

I

I

I

N

N

V
x
M

A
|
A

S
|
S

V

I

H
x
N

G

G

L

L

V

I

G

G

S

F

A

A

Q

G

K
|
K

A

A

A

G

Y
|
Y

V

N

A

S

A

A

K
|
K

H

H

G

G

V

V

V

I

G

G

L

L

T

T

K

K

V

V

T

A

A

A

L

L

E

E

N

C

A

A

T

R

T

D

G

G

V

I

T

T

C

V

N

N

A

A

I

L

C

C

P
|
P

G
|
G

W
x
Y

V
|
V

L

D

T
|
T

P

P

L
|
L

V
|
V

Q

R

K

G

Q
|
Q

V

I

D

A

A

D

K

L

A

A

A

K

E

T

H

R

G

N

L

V

S

S

N

L

E

D

D

S

A

A

K

L

K

E

L

D

L

V

L

I

G

L

E

A

K

M

E

V

P

P

S

Q

M

K

Q

R

F

L

T

L

T

S

P

V

E

E

E

E

L

I

G

A

E

D

L

Y

A

A

V

I

F

F

F

L

C

A

S

S

P

S

A

K

A

A

N

G

N

G

V

V

R

T

G

G

V

Q

A

A

W

V

N

V

M

M

D

D

G

G

G

G

W

Y

A

T

A

A

Q

Q

active site: G18 (= G15), S143 (= S142), Y156 (= Y155)
binding nicotinamide-adenine-dinucleotide: G14 (= G11), S17 (= S14), G18 (= G15), I19 (= I16), D38 (= D38), M39 (≠ V39), C63 (≠ A68), D64 (= D69), V65 (≠ I70), N91 (= N90), A92 (= A91), G93 (= G92), F94 (≠ I93), V114 (≠ I113), M141 (≠ V140), A142 (= A141), S143 (= S142), Y156 (= Y155), K160 (= K159), P186 (= P185), G187 (= G186), Y188 (≠ W187), V189 (= V188), T191 (= T190), L193 (= L192), V194 (= V193)
binding 3-oxidanylidenepentanoic acid: Q95 (= Q94), S143 (= S142), N145 (≠ H144), K153 (= K152), Y156 (= Y155), L193 (= L192), Q197 (= Q196)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
39% identity, 98% coverage: 2:257/260 of query aligns to 3:245/247 of 4jroC

query
sites
4jroC

L

L

K

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

G

D

I

I

A

A

K

I

A

N

L

L

A

A

R

K

Q

E

G

G

A

A

N

N

I

I

V

F

L

F

N
|
N

G
x
Y

F
x
N

G
|
G

D

-

V

-

D

-

G
x
S

P

P

R

E

A

A

E

A

V

E

L

E

A

T

A

A

G

K

A

L

A

V

A

A

E

E

-

H

-

G

V

V

Q

E

V

V

A

E

Y

A

H

M

G

K

A
|
A

D
x
N

M
x
V

S

A

R

I

A

A

A

E

D

D

I

V

E

D

D

A

M

F

M

F

K

K

S

Q

S

A

A

I

A

E

Q

R

F

F

G

G

R

R

V

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

N

L

V

L

E

M

D

R

F

M

P

K

V

E

E

D

R

E

W

W

D

D

S

D

V

V

I

I

A

N

I
|
I

N

N

L

L

T

K

S

G

A

T

F

F

H

L

T

C

S

T

R

K

L

A

A

V

L

S

P

R

A

T

M

M

K

M

S

K

A

Q

N

R

W

A

G

G

R

K

I

I

I

I

N

N

V

M

A
|
A

S
|
S

V

V

H

V

G

G

L

L

V

I

G

G

S

N

A

A

Q

G

K
x
Q

A

A

A

N

Y
|
Y

V

V

A

A

A

S

K
|
K

H

A

G

G

V

V

V

I

G

G

L

L

T

T

K

K

V

T

T

T

A

A

L

R

E

E

N

L

A

A

T

P

T

R

G

G

V

I

T

N

C

V

N

N

A

A

I

V

C

A

P
|
P

G
|
G

W

F

V
x
I

L

T

T
|
T

P

D

L

M

V

T

Q

D

K

K

Q

-

V

L

D

D

A

E

K

K

A

T

A

K

E

E

H

A

G

M

L

L

S

A

N

-

E

-

D

-

A

-

K

-

K

-

L

-

L

-

L

-

G

-

E

-

K

Q

E

I

P

P

S

L

M

G

Q

A

F

Y

T

G

T

T

P

T

E

E

E

D

L

I

G

A

E

N

L

A

A

V

V

L

F

F

F

L

C

A

S

S

P

D

A

A

A

S

N

K

N

Y

V

I

R

T

G

G

V

Q

A

T

W

L

N

S

M

V

D

D

G

G

G

G

W

M

active site: G16 (= G15), S142 (= S142), Q152 (≠ K152), Y155 (= Y155), K159 (= K159)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G11), S14 (≠ T13), R15 (≠ S14), G16 (= G15), I17 (= I16), N35 (= N34), Y36 (≠ G35), N37 (≠ F36), G38 (= G37), S39 (≠ G41), A62 (= A62), N63 (≠ D63), V64 (≠ M64), N90 (= N90), A91 (= A91), G92 (= G92), I93 (= I93), I113 (= I113), A141 (= A141), S142 (= S142), Y155 (= Y155), K159 (= K159), P185 (= P185), G186 (= G186), I188 (≠ V188), T190 (= T190)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
34% identity, 100% coverage: 1:259/260 of query aligns to 2:247/248 of 6ixmC

query
sites
6ixmC

M

I

L

L

K

D

G

N

K

K

T

V

A

A

L

L

V

V

T

T

G
|
G

S

A

T
x
G

S
|
S

G
|
G

I
|
I

G

G

L

L

G

A

I

V

A

A

K

H

A

S

L

Y

A

A

R

K

Q

E

G

G

A

A

N

K

I

V

V

I

L

V

N

S

G
x
D

F
x
I

G

N

D

E

V

D

D

H

G

G

P

N

R

K

A

A

-

V

-

E

E

D

V

I

L

K

A

A

A

Q

G

G

A

G

A

E

A

A

E

-

V

-

Q

-

V

-

A

S

Y

F

H

V

G

K

A
|
A

D
|
D

M
x
T

S

S

R

N

A

P

A

E

D

E

I

V

E

E

D

A

M

L

M

V

K

K

S

R

S

T

A

V

A

E

Q

I

F

Y

G

G

R

R

V

L

D

D

I

I

L

A

V

C

N

N

N
|
N

A
|
A

G
|
G

I

I

-

G

-

G

-

E

Q

Q

H

A

V

L

A

A

N

G

V

-

E

-

D

D

F

Y

P

G

V

L

E

D

R

S

W

W

D

R

S

K

V

V

I

L

A

S

I

I

N

N

L

L

T

D

S

G

A

V

F

F

H

Y

T

G

S

C

R

K

L

Y

A

E

L

L

P

E

A

Q

M

M

K

E

S

K

A

N

N

G

W

G

G

G

R

V

I

I

I

V

N

N

V
x
M

A
|
A

S
|
S

V

I

H

H

G

G

L

I

V

V

G

A

S

A

A

P

Q

L

K

S

A

S

A

A

Y
|
Y

V

T

A

S

A

A

K
|
K

H

H

G

A

V

V

V

V

G

G

L

L

T

T

K

K

V

N

T

I

A

G

L

A

E

E

N

Y

A

G

T

Q

T

K

G

N

V

I

T

R

C

C

N

N

A

A

I

V

C

G

P
|
P

G
x
A

W
x
Y

V
x
I

L

E

T
|
T

P

P

L
|
L

V

L

Q

E

K

S

Q

-

V

-

D

-

A

-

K

-

A

-

A

-

E

-

H

-

G

-

L

L

S

T

N

K

E

E

D

M

A

K

K

E

K

A

L

L

L

I

L

-

G

-

E

S

K

K

E

H

P

P

S

M

M

G

Q

R

F

L

T

G

T

K

P

P

E

E

E

E

L

V

G

A

E

E

L

L

A

V

V

L

F

F

F

L

C

S

S

S

P

E

A

K

A

S

N

S

N

F

V

M

R

T

G

G

V

G

A

Y

W

Y

N

L

M

V

D

D

G

G

G

G

W

Y

A

T

A

A

active site: G16 (= G15), S142 (= S142), Y155 (= Y155), K159 (= K159)
binding nicotinamide-adenine-dinucleotide: G12 (= G11), G14 (≠ T13), S15 (= S14), G16 (= G15), I17 (= I16), D36 (≠ G35), I37 (≠ F36), A61 (= A62), D62 (= D63), T63 (≠ M64), N89 (= N90), A90 (= A91), G91 (= G92), M140 (≠ V140), A141 (= A141), S142 (= S142), Y155 (= Y155), K159 (= K159), P185 (= P185), A186 (≠ G186), Y187 (≠ W187), I188 (≠ V188), T190 (= T190), L192 (= L192)

6zzpA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from psychrobacter arcticus complexed with NAD+ and 3-oxovalerate (see paper)
37% identity, 98% coverage: 2:257/260 of query aligns to 8:262/265 of 6zzpA

query
sites
6zzpA

L

L

K

T

G

G

K

K

T

V

A

A

L

L

V

V

T

T

G
|
G

S

A

T
x
A

S
|
S

G
|
G

I
|
I

G

G

L

R

G

D

I

I

A

A

K

E

A

T

L

Y

A

A

R

K

Q

A

G

G

A

A

N

A

I

V

V

-

L

-

N

-

G

G

F

I

G

A

D
|
D

V
x
I

D

N

G

L

P

E

R

A

A

A

E

Q

-

K

-

T

-

V

-

D

-

A

V

I

L

E

A

A

A

A

G

G

A

G

A

R

A

A

E

-

V

L

Q

A

V

I

A

A

Y
x
M

H

-

G

-

A

-

D
|
D

M
x
V

S

T

R

S

A

E

A

A

D

A

I

V

E

N

D

D

M

G

M

V

K

Q

S

R

S

L

A

V

A

D

Q

T

F

F

G

G

R

G

V

I

D

D

I

I

L

L

V

V

N

S

N
|
N

A
|
A

G
|
G

I
|
I

Q
|
Q

H

I

V

I

A

D

N

P

V

I

E

H

D

K

F

M

P

A

V

F

E

E

R

D

W

W

D

K

S

K

V

M

I

L

A

A

I
|
I

N
x
H

L

L

T

D

S

G

A

A

F

F

H

L

T

T

S

T

R

K

L

A

A

A

L

I

P

Q

A

H

M

M

-

Y

K

K

S

D

A

D

N

K

W

G

G

G

R

T

I

V

I

I

N

Y

V
x
M

A
x
G

S
|
S

V

V

H
|
H

G

S

L

H

V

E

G

A

S

S

A

L

Q

F

K
|
K

A

A

A

P

Y
|
Y

V

V

A

T

A

A

K
|
K

H

H

G

G

V

L

V

L

G

G

L

L

T

C

K

R

V

V

T

L

A

A

L

K

E

E

N

G

A

A

T

V

T

H

G

N

V

V

T

R

C

S

N

H

A

V

I

I

C

C

P
|
P

G
|
G

W
x
F

V
|
V

L

K

T
|
T

P

P

L
|
L

V
|
V

Q

E

K

K

Q
|
Q

V

I

D

P

A

Q

K

Q

A

A

A

A

E

E

H

K

G

G

L

I

S

S

N

E

E

E

D

S

A

V

K

V

K

N

L

D

L

I

L

M

G

L

E

V

K

N

E

T

P

V

S

D

M

K

Q

E

F

F

T

T

T

T

P

V

E

D

E

D

L

I

G

A

E

Q

L

L

A

A

V

L

F

F

F

L

C

A

S

A

P

F

A

P

A

T

N

N

N

V

V

F

R

T

G

G

V

Q

A

S

W

I

N

V

M

A

D

S

G

H

G

G

W

W

binding nicotinamide-adenine-dinucleotide: G17 (= G11), A19 (≠ T13), S20 (= S14), G21 (= G15), I22 (= I16), D41 (= D38), I42 (≠ V39), M66 (≠ Y59), D67 (= D63), V68 (≠ M64), N94 (= N90), A95 (= A91), G96 (= G92), I97 (= I93), I117 (= I113), H118 (≠ N114), M145 (≠ V140), G146 (≠ A141), S147 (= S142), Y160 (= Y155), K164 (= K159), P190 (= P185), G191 (= G186), F192 (≠ W187), V193 (= V188), T195 (= T190), L197 (= L192), V198 (= V193)
binding 3-oxidanylidenepentanoic acid: Q98 (=