SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011841012.1 NCBI__GCF_000015985.1:WP_011841012.1 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)

5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
62% identity, 99% coverage: 3:256/257 of query aligns to 2:259/260 of 5b4tA

query
sites
5b4tA

L

L

N

K

G

G

K

K

R

K

A

A

I

V

V

V

T

T

G
|
G

S

S

N
x
T

S

S

G
|
G

I
|
I

G

G

L

L

G

A

C

M

A

A

E

T

E

E

L

L

A

A

R

K

A

A

G

G

A

A

E

D

I

V

V

V

I

I

N

N

S

G

F
|
F

T

G

D

Q

R

P

D

E

E

D

D

I

H

E

A

R

L

E

A

R

E

S

K

T

I

L

G

E

R

S

E

K

H

F

G

G

V

V

S

K

C

A

R

Y

Y

Y

I

L

A

N

A

A

D
|
D

M
x
L

S

S

D

D

G

A

E

Q

A

A

C

T

R

R

A

D

L

F

I

I

-

A

-

K

-

A

E

E

T

A

A

L

G

G

C

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

S

A

S

P

I

I

E

E

F

F

P

P

V

V

E

D

K

K

W

W

N

N

A

A

I

I

L

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

T

T

A

A

L

L

P

P

G

I

M

M

R

Q

A

K

K

Q

G

G

W

W

G

G

R

R

I

I

V

I

N

N

I
|
I

A

A

S
|
S

A

A

H
|
H

G

G

L

L

T

V

A

A

S

S

P

V

Y

N

K
|
K

S

S

A

A

Y
|
Y

V

V

A

A

K
|
K

H

H

G

G

V

V

G

G

F

L

T

T

K

K

V

V

T

T

A

A

L

L

E

E

T

N

A

A

G

G

K

K

G

G

I

I

T

T

C

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

Y
x
W

V
|
V

L

R

T
|
T

P

P

L
|
L

V
|
V

E

E

A

K

Q
|
Q

I

I

P

E

D

A

Q
x
I

M

S

K

Q

A

Q

H

K

D

G

M

I

D

D

R

I

E

E

T

A

V

A

I

A

R

R

E

E

V

L

M

L

L

A

D

E

R

K

Q

Q

P

P

S

S

R

L

Q

Q

F

F

A

V

T

T

T

P

G

E

Q

Q

I

L

G

G

T

A

V

A

V

V

F

F

L

L

C

S

S

S

G

A

A

A

D

D

Q

Q

I

M

T

T

G

G

T

T

I

L

S

S

V

L

D

D

G

G

W

W

T

T

A

A

active site: G15 (= G16), N114 (= N111), S142 (= S139), Y155 (= Y152), K159 (= K156), I200 (≠ Q197)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q91), S142 (= S139), H144 (= H141), K152 (= K149), Y155 (= Y152), W187 (≠ Y184), Q196 (= Q193)
binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (≠ N14), G15 (= G16), I16 (= I17), F36 (= F37), D63 (= D64), L64 (≠ M65), N90 (= N87), G92 (= G89), L113 (≠ I110), I140 (= I137), Y155 (= Y152), K159 (= K156), P185 (= P182), G186 (= G183), W187 (≠ Y184), V188 (= V185), T190 (= T187), L192 (= L189), V193 (= V190)

3w8dA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
62% identity, 99% coverage: 3:256/257 of query aligns to 2:259/260 of 3w8dA

query
sites
3w8dA

L

L

N

K

G

G

K

K

R

K

A

A

I

V

V

V

T

T

G
|
G

S

S

N
x
T

S
|
S

G
|
G

I
|
I

G

G

L

L

G

A

C

M

A

A

E

T

E

E

L

L

A

A

R

K

A

A

G

G

A

A

E

D

I

V

V

V

I

I

N

N

S

G

F
|
F

T

G

D

Q

R

P

D

E

E

D

D

I

H

E

A

R

L

E

A

R

E

S

K

T

I

L

G

E

R

S

E

K

H

F

G

G

V

V

S

K

C

A

R

Y

Y

Y

I

L

A

N

A
|
A

D
|
D

M
x
L

S

S

D

D

G

A

E

Q

A

A

C

T

R

R

A

D

L

F

I

I

-

A

-

K

-

A

E

E

T

A

A

L

G

G

C

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

S

A

S

P

I

I

E

E

F

F

P

P

V

V

E

D

K

K

W

W

N

N

A

A

I

I

L

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

T

T

A

A

L

L

P

P

G

I

M

M

R

Q

A

K

K

Q

G

G

W

W

G

G

R

R

I

I

V

I

N

N

I

I

A

A

S
|
S

A

A

H
|
H

G

G

L

L

T

V

A

A

S

S

P

V

Y

N

K
|
K

S

S

A

A

Y
|
Y

V

V

A

A

K
|
K

H

H

G

G

V

V

G

G

F

L

T

T

K

K

V

V

T

T

A

A

L

L

E

E

T

N

A

A

G

G

K

K

G

G

I

I

T

T

C

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

Y
x
W

V
|
V

L

R

T
|
T

P

P

L
|
L

V
|
V

E

E

A

K

Q
|
Q

I

I

P

E

D

A

Q
x
I

M

S

K

Q

A

Q

H

K

D

G

M

I

D

D

R

I

E

E

T

A

V

A

I

A

R

R

E

E

V

L

M

L

L

A

D

E

R

K

Q

Q

P

P

S

S

R

L

Q

Q

F

F

A

V

T

T

T

P

G

E

Q

Q

I

L

G

G

T

A

V

A

V

V

F

F

L

L

C

S

S

S

G

A

A

A

D

D

Q

Q

I

M

T

T

G

G

T

T

I

L

S

S

V

L

D

D

G

G

W
|
W

T

T

A

A

active site: G15 (= G16), N114 (= N111), S142 (= S139), Y155 (= Y152), K159 (= K156), I200 (≠ Q197)
binding methylmalonic acid: Q94 (= Q91), S142 (= S139), H144 (= H141), K152 (= K149), Y155 (= Y152), W187 (≠ Y184), Q196 (= Q193), W257 (= W254)
binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (≠ N14), S14 (= S15), G15 (= G16), I16 (= I17), F36 (= F37), A62 (= A63), D63 (= D64), L64 (≠ M65), N90 (= N87), A91 (= A88), G92 (= G89), L113 (≠ I110), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), G186 (= G183), W187 (≠ Y184), V188 (= V185), T190 (= T187), L192 (= L189), V193 (= V190)

3vdrA Crystal structure of d-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate d-3-hydroxybutyrate and NAD(+) (see paper)
62% identity, 99% coverage: 3:256/257 of query aligns to 2:259/260 of 3vdrA

query
sites
3vdrA

L

L

N

K

G

G

K

K

R

K

A

A

I

V

V

V

T

T

G
|
G

S

S

N
x
T

S

S

G
|
G

I
|
I

G

G

L

L

G

A

C

M

A

A

E

T

E

E

L

L

A

A

R

K

A

A

G

G

A

A

E

D

I

V

V

V

I

I

N

N

S

G

F
|
F

T

G

D

Q

R

P

D

E

E

D

D

I

H

E

A

R

L

E

A

R

E

S

K

T

I

L

G

E

R

S

E

K

H

F

G

G

V

V

S

K

C

A

R

Y

Y

Y

I

L

A

N

A

A

D
|
D

M
x
L

S

S

D

D

G

A

E

Q

A

A

C

T

R

R

A

D

L

F

I

I

-

A

-

K

-

A

E

E

T

A

A

L

G

G

C

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

S

A

S

P

I

I

E

E

F

F

P

P

V

V

E

D

K

K

W

W

N

N

A

A

I

I

L

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

T

T

A

A

L

L

P

P

G

I

M

M

R

Q

A

K

K

Q

G

G

W

W

G

G

R

R

I

I

V

I

N

N

I

I

A

A

S
|
S

A

A

H
|
H

G

G

L

L

T

V

A

A

S

S

P

V

Y

N

K
|
K

S

S

A

A

Y
|
Y

V

V

A

A

K
|
K

H

H

G

G

V

V

G

G

F

L

T

T

K

K

V

V

T

T

A

A

L

L

E

E

T

N

A

A

G

G

K

K

G

G

I

I

T

T

C

C

N

N

A

A

I

I

C

C

P

P

G
|
G

Y
x
W

V
|
V

L

R

T
|
T

P

P

L
|
L

V
|
V

E

E

A

K

Q
|
Q

I

I

P

E

D

A

Q
x
I

M

S

K

Q

A

Q

H

K

D

G

M

I

D

D

R

I

E

E

T

A

V

A

I

A

R

R

E

E

V

L

M

L

L

A

D

E

R

K

Q

Q

P

P

S

S

R

L

Q

Q

F

F

A

V

T

T

T

P

G

E

Q

Q

I

L

G

G

T

A

V

A

V

V

F

F

L

L

C

S

S

S

G

A

A

A

D

D

Q

Q

I

M

T

T

G

G

T

T

I

L

S

S

V

L

D

D

G

G

W
|
W

T

T

A

A

active site: G15 (= G16), N114 (= N111), S142 (= S139), Y155 (= Y152), K159 (= K156), I200 (≠ Q197)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q91), H144 (= H141), K152 (= K149), Y155 (= Y152), W187 (≠ Y184), Q196 (= Q193), W257 (= W254)
binding acetoacetic acid: Q94 (= Q91), H144 (= H141), K152 (= K149), Y155 (= Y152), W187 (≠ Y184), Q196 (= Q193), W257 (= W254)
binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (≠ N14), I16 (= I17), F36 (= F37), D63 (= D64), L64 (≠ M65), N90 (= N87), A91 (= A88), G92 (= G89), L113 (≠ I110), K159 (= K156), G186 (= G183), V188 (= V185), T190 (= T187), L192 (= L189), V193 (= V190)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G12), T13 (≠ N14), I16 (= I17), F36 (= F37), D63 (= D64), L64 (≠ M65), N90 (= N87), A91 (= A88), G92 (= G89), L113 (≠ I110), S142 (= S139), Y155 (= Y152), K159 (= K156), G186 (= G183), V188 (= V185), T190 (= T187), L192 (= L189), V193 (= V190)

3vdqA Crystal structure of alcaligenes faecalis d-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate (see paper)
62% identity, 99% coverage: 3:256/257 of query aligns to 2:259/260 of 3vdqA

query
sites
3vdqA

L

L

N

K

G

G

K

K

R

K

A

A

I

V

V

V

T

T

G
|
G

S

S

N

T

S
|
S

G
|
G

I
|
I

G

G

L

L

G

A

C

M

A

A

E

T

E

E

L

L

A

A

R

K

A

A

G

G

A

A

E

D

I

V

V

V

I

I

N

N

S

G

F
|
F

T

G

D

Q

R

P

D

E

E

D

D

I

H

E

A

R

L

E

A

R

E

S

K

T

I

L

G

E

R

S

E

K

H

F

G

G

V

V

S

K

C

A

R

Y

Y

Y

I

L

A

N

A

A

D
|
D

M
x
L

S

S

D

D

G

A

E

Q

A

A

C

T

R

R

A

D

L

F

I

I

-

A

-

K

-

A

E

E

T

A

A

L

G

G

C

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

S

A

S

P

I

I

E

E

F

F

P

P

V

V

E

D

K

K

W

W

N

N

A

A

I

I

L

I

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

T

T

A

A

L

L

P

P

G

I

M

M

R

Q

A

K

K

Q

G

G

W

W

G

G

R

R

I

I

V

I

N

N

I
|
I

A

A

S
|
S

A

A

H
|
H

G

G

L

L

T

V

A

A

S

S

P

V

Y

N

K
|
K

S

S

A

A

Y
|
Y

V

V

A

A

K
|
K

H

H

G

G

V

V

G

G

F

L

T

T

K

K

V

V

T

T

A

A

L

L

E

E

T

N

A

A

G

G

K

K

G

G

I

I

T

T

C

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

Y
x
W

V
|
V

L

R

T
|
T

P

P

L
|
L

V
|
V

E

E

A

K

Q
|
Q

I

I

P

E

D

A

Q
x
I

M

S

K

Q

A

Q

H

K

D

G

M

I

D

D

R

I

E

E

T

A

V

A

I

A

R

R

E

E

V

L

M

L

L

A

D

E

R

K

Q

Q

P

P

S

S

R

L

Q

Q

F

F

A

V

T

T

T

P

G

E

Q

Q

I

L

G

G

T

A

V

A

V

V

F

F

L

L

C

S

S

S

G

A

A

A

D

D

Q

Q

I

M

T

T

G

G

T

T

I

L

S

S

V

L

D

D

G

G

W

W

T

T

A

A

active site: G15 (= G16), N114 (= N111), S142 (= S139), Y155 (= Y152), K159 (= K156), I200 (≠ Q197)
binding acetate ion: Q94 (= Q91), H144 (= H141), K152 (= K149), W187 (≠ Y184), L192 (= L189), Q196 (= Q193)
binding nicotinamide-adenine-dinucleotide: G11 (= G12), S14 (= S15), I16 (= I17), F36 (= F37), D63 (= D64), L64 (≠ M65), N90 (= N87), A91 (= A88), G92 (= G89), L113 (≠ I110), I140 (= I137), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), G186 (= G183), W187 (≠ Y184), V188 (= V185), T190 (= T187), L192 (= L189), V193 (= V190)

2ztlA Closed conformation of d-3-hydroxybutyrate dehydrogenase complexed with NAD+ and l-3-hydroxybutyrate (see paper)
63% identity, 99% coverage: 3:256/257 of query aligns to 2:259/260 of 2ztlA

query
sites
2ztlA

L

L

N

K

G

G

K

K

R

V

A

A

I

V

V

V

T

T

G
|
G

S

S

N

T

S

S

G
|
G

I
|
I

G

G

L

L

G

G

C

I

A

A

E

T

E

A

L

L

A

A

R

A

A

Q

G

G

A

A

E

D

I

I

V

V

I

L

N

N

S

G

F
|
F

T

G

D

D

R

A

D

A

E

E

D

I

H

E

A

K

L

V

A

R

E

A

K

G

I

L

G

A

R

A

E

Q

H

H

G

G

V

V

S

K

C

V

R

L

Y

Y

I

D

A

G

A

A

D

D

M
x
L

S

S

D

K

G

G

E

E

A

A

C

V

R

R

A

G

L

L

I

V

E

D

T

N

A

A

-

V

-

R

-

Q

-

M

G

G

G

R

C

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

S

A

S

L

I

I

E

E

E

D

F

F

P

P

V

T

E

E

K

K

W

W

N

D

A

A

I

I

L

L

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

T

T

A

A

L

L

P

P

G

H

M

M

R

K

A

K

K

Q

G

G

W

F

G

G

R

R

I

I

V

I

N

N

I

I

A

A

S
|
S

A

A

H
|
H

G

G

L

L

T

V

A

A

S

S

P

A

Y

N

K
|
K

S

S

A

A

Y
|
Y

V

V

A

A

K
|
K

H

H

G

G

V

V

G

G

F

F

T

T

K

K

V

V

T

T

A

A

L

L

E

E

T

T

A

A

G

G

K

Q

G

G

I

I

T

T

C

A

N

N

A

A

I

I

C

C

P
|
P

G

G

Y
x
W

V
|
V

L

R

T
|
T

P

P

L

L

V
|
V

E

E

A

K

Q
|
Q

I

I

P

S

D

A

Q
x
L

M

A

K

E

A

K

H

N

D

G

M

V

D

D

R

Q

E

E

T

T

V

A

I

A

R

R

E

E

V

L

M

L

L

S

D

E

R

K

Q

Q

P

P

S

S

R

L

Q

Q

F

F

A

V

T

T

T

P

G

E

Q

Q

I

L

G

G

T

T

V

A

V

V

F

F

L

L

C

A

S

S

G

D

A

A

D

A

Q

Q

I

I

T

T

G

G

T

T

I

V

S

S

V

V

D

D

G

G

W

W

T

T

A

A

active site: G15 (= G16), N114 (= N111), S142 (= S139), Y155 (= Y152), K159 (= K156), L200 (≠ Q197)
binding (3s)-3-hydroxybutanoic acid: Q94 (= Q91), S142 (= S139), H144 (= H141), K152 (= K149), Y155 (= Y152), Q196 (= Q193)
binding nicotinamide-adenine-dinucleotide: G11 (= G12), G15 (= G16), I16 (= I17), F36 (= F37), L64 (≠ M65), N90 (= N87), A91 (= A88), G92 (= G89), L113 (≠ I110), Y155 (= Y152), K159 (= K156), P185 (= P182), W187 (≠ Y184), V188 (= V185), T190 (= T187), V193 (= V190)

1wmbA Crystal structure of NAD dependent d-3-hydroxybutylate dehydrogenase (see paper)
63% identity, 99% coverage: 3:256/257 of query aligns to 2:259/260 of 1wmbA

query
sites
1wmbA

L

L

N

K

G

G

K

K

R

V

A

A

I

V

V

V

T

T

G

G

S

S

N

T

S

S

G
|
G

I

I

G

G

L

L

G

G

C

I

A

A

E

T

E

A

L

L

A

A

R

A

A

Q

G

G

A

A

E

D

I

I

V

V

I

L

N

N

S

G

F

F

T

G

D

D

R

A

D

A

E

E

D

I

H

E

A

K

L

V

A

R

E

A

K

G

I

L

G

A

R

A

E

Q

H

H

G

G

V

V

S

K

C

V

R

L

Y

Y

I

D

A

G

A

A

D

D

M

L

S

S

D

K

G

G

E

E

A

A

C

V

R

R

A

G

L

L

I

V

E

D

T

N

A

A

-

V

-

R

-

Q

-

M

G

G

G

R

C

I

D

D

I

I

L

L

V

V

N

N

A

A

G

G

I

I

Q

Q

H

H

V

T

S

A

S

L

I

I

E

E

E

D

F

F

P

P

V

T

E

E

K

K

W

W

N

D

A

A

I

I

L

L

A

A

I

L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

T

T

A

A

L

L

P

P

G

H

M

M

R

K

A

K

K

Q

G

G

W

F

G

G

R

R

I

I

V

I

N

N

I

I

A

A

S
|
S

A

A

H

H

G

G

L

L

T

V

A

A

S

S

P

A

Y

N

K

K

S

S

A

A

Y
|
Y

V

V

A

A

K
|
K

H

H

G

G

V

V

G

G

F

F

T

T

K

K

V

V

T

T

A

A

L

L

E

E

T

T

A

A

G

G

K

Q

G

G

I

I

T

T

C

A

N

N

A

A

I

I

C

C

P

P

G

G

Y

W

V

V

L

R

T

T

P

P

L

L

V

V

E

E

A

K

Q

Q

I

I

P

S

D

A

Q
x
L

M

A

K

E

A

K

H

N

D

G

M

V

D

D

R

Q

E

E

T

T

V

A

I

A

R

R

E

E

V

L

M

L

L

S

D

E

R

K

Q

Q

P

P

S

S

R

L

Q

Q

F

F

A

V

T

T

T

P

G

E

Q

Q

I

L

G

G

T

T

V

A

V

V

F

F

L

L

C

A

S

S

G

D

A

A

D

A

Q

Q

I

I

T

T

G

G

T

T

I

V

S

S

V

V

D

D

G

G

W
|
W

T

T

A

A

active site: G15 (= G16), N114 (= N111), S142 (= S139), Y155 (= Y152), K159 (= K156), L200 (≠ Q197)
binding cacodylate ion: S142 (= S139), Y155 (= Y152), W257 (= W254)

1x1tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas fragi complexed with NAD+ (see paper)
59% identity, 99% coverage: 3:256/257 of query aligns to 2:235/236 of 1x1tA

query
sites
1x1tA

L

L

N

K

G

G

K

K

R

V

A

A

I

V

V

V

T

T

G
|
G

S

S

N
x
T

S
|
S

G
|
G

I
|
I

G

G

L

L

G

G

C

I

A

A

E

T

E

A

L

L

A

A

R

A

A

Q

G

G

A

A

E

D

I

I

V

V

I

L

N

N

S
x
G

F
|
F

T

G

D

D

R

A

D

A

E

E

D

I

H

E

A

K

L

V

A

R

E

A

K

G

I

L

G

A

R

A

E

Q

H

H

G

G

V

V

S

K

C

V

R

L

Y

Y

I

D

A

G

A

A

D
|
D

M
x
L

S

S

D

K

G

G

E

E

A

A

C

V

R

R

A

G

L

L

I

V

E

D

T

N

A

A

-

V

-

R

-

Q

-

M

G

G

G

R

C

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

S

A

S

L

I

I

E

E

E

D

F

F

P

P

V

T

E

E

K

K

W

W

N

D

A

A

I

I

L

L

A

A

I
x
L

N
|
N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

T

T

A

A

L

L

P

P

G

H

M

M

R

K

A

K

K

Q

G

G

W

F

G

G

R

R

I

I

V

I

N

N

I

I

A

A

S
|
S

A

A

H
|
H

G

G

L

L

T

V

A

A

S

S

P

A

Y

N

K

K

S

S

A

A

Y
|
Y

V

V

A

A

K
|
K

H

H

G

G

V

V

G

G

F

F

T

T

K

K

V

V

T

T

A

A

L

L

E

E

T

T

A

A

G

G

K

Q

G

G

I

I

T

T

C

A

N

N

A

A

I

I

C

C

P
|
P

G

G

Y
x
W

V
|
V

L

-

T

-

P

-

L

-

V

-

E

-

A

-

Q

-

I

-

P

-

D

-

Q

-

M

-

K

-

A

-

H

-

D

-

M

-

D

-

R

-

E

-

T

-

V

-

I

-

R

R

E
x
T

V

L

M

L

L

S

D

E

R

K

Q

Q

P

P

S

S

R

L

Q

Q

F

F

A

V

T

T

T

P

G

E

Q

Q

I

L

G

G

T

T

V

A

V

V

F

F

L

L

C

A

S

S

G

D

A

A

D

A

Q

Q

I

I

T

T

G

G

T

T

I

V

S

S

V

V

D

D

G

G

W
|
W

T

T

A

A

active site: G15 (= G16), N114 (= N111), S142 (= S139), Y155 (= Y152), K159 (= K156)
binding cacodylate ion: S142 (= S139), H144 (= H141), Y155 (= Y152), W187 (≠ Y184), W233 (= W254)
binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (≠ N14), S14 (= S15), G15 (= G16), I16 (= I17), G35 (≠ S36), F36 (= F37), D63 (= D64), L64 (≠ M65), N90 (= N87), G92 (= G89), L113 (≠ I110), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), W187 (≠ Y184), V188 (= V185), T190 (≠ E211)

5yssB Crystal structure of aminocaproic acid cyclase in complex with NAD (+) (see paper)
56% identity, 99% coverage: 2:256/257 of query aligns to 1:254/255 of 5yssB

query
sites
5yssB

D

N

L

L

N

T

G

G

K

K

R

T

A

A

I

L

V

V

T

T

G
|
G

S

S

N
x
T

S
|
S

G
|
G

I
|
I

G

G

L

L

G

G

C

I

A

A

E

Q

E

V

L

L

A

A

R

Q

A

A

G

G

A

A

E

T

I

L

V

I

I

L

N

N

S
x
G

F
|
F

T

G

D

D

R

V

D

D

E

A

D

A

H

K

A

D

L

A

A

V

E

A

K

Q

I

Y

G

G

R

K

E

T

H

P

G

G

V

-

S

-

C

-

R

-

Y

Y

I

H

A

G

A

A

D

D

M
x
L

S

S

D

D

G

E

E

A

A

Q

C

I

R

A

A

D

L

M

I

M

E

R

T

Y

A

A

-

E

-

S

-

E

-

F

G

G

C

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

S

S

S

P

I

I

E

E

E

T

F

F

P

P

V

V

E

D

K

K

W

W

N

N

A

A

I

I

L

I

A

A

I

I

N

N

L

L

S

S

A

V

F

F

H

H

T

T

A

R

A

L

A

A

L

L

P

P

G

G

M

M

R

R

A

A

K

R

G

N

W

W

G

G

R

R

I

I

V

I

N

N

I

I

A
|
A

S

S

A

V

H

H

G

G

L

L

T

V

A

A

S

S

P

K

Y

E

K

K

S

S

A

A

Y
|
Y

V

V

A

A

K
|
K

H

H

G

G

V

V

G

G

F

L

T

T

K

K

V

T

T

I

A

A

L

L

E

E

T

T

A

A

G

Q

K

T

G

E

I

I

T

T

C

C

N

N

A

A

I

L

C

C

P
|
P

G
|
G

Y

W

V
|
V

L

L

T
|
T

P

P

L

L

V

V

E

Q

A

Q

Q

Q

I

I

P

-

D

D

Q

K

M

R

K

I

A

A

H

E

D

G

M

A

D

E

R

P

E

E

T

A

V

A

I

R

R

D

E

A

V

L

M

L

L

A

D

E

R

K

Q

Q

P

P

S

S

R

R

Q

E

F

F

A

V

T

T

T

P

G

E

Q

Q

I

L

G

G

G

N

T

L

V

A

V

L

F

F

L

L

C

C

S

S

G

D

A

G

A

A

D

A

Q

Q

I

V

T

R

G

G

T

V

T

A

I

W

S

N

V

M

D

D

G

G

W

W

T

V

A

A

binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (≠ N14), S14 (= S15), G15 (= G16), I16 (= I17), G35 (≠ S36), F36 (= F37), L60 (≠ M65), N86 (= N87), G88 (= G89), I89 (= I90), A137 (= A138), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (= G183), V184 (= V185), T186 (= T187)

2q2qD Structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas putida (see paper)
57% identity, 99% coverage: 3:256/257 of query aligns to 2:254/255 of 2q2qD

query
sites
2q2qD

L

L

N

K

G

G

K

K

R

T

A

A

I

L

V

V

T

T

G
|
G

S

S

N
x
T

S
|
S

G
|
G

I
|
I

G

G

L

L

G

G

C

I

A

A

E

Q

E

V

L

L

A

A

R

R

A

A

G

G

A

A

E

N

I

I

V

V

I

L

N

N

S

G

F
|
F

T

G

D

D

R

P

D

A

E

P

D

-

H

-

A

A

L

L

A

A

E

E

K

-

I

I

G

A

R

R

E

-

H

H

G

G

V

V

S

K

C

A

R

V

Y

H

I

H

A

P

A

A

D
|
D

M
x
L

S

S

D

D

G

V

E

A

A

Q

C

I

R

E

A

A

L

L

I

F

E

A

T

L

A

A

-

E

-

R

-

E

-

F

G

G

C

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

S

A

S

P

I

V

E

E

E

Q

F

F

P

P

V

L

E

E

K

S

W

W

N

D

A

K

I

I

L

I

A

A

I
x
L

N

N

L

L

S

S

S

A

A

V

F

F

H

H

T

G

T

T

A

R

A

L

A

A

L

L

P

P

G

G

M

M

R

R

A

A

K

R

G

N

W

W

G

G

R

R

I

I

V

I

N

N

I
|
I

A

A

S
|
S

A

V

H

H

G

G

L

L

T

V

A

G

S

S

P

T

Y

G

K

K

S

A

A

A

Y
|
Y

V

V

A

A

K
|
K

H

H

G

G

V

V

G

G

F

L

T

T

K

K

V

V

T

V

A

G

L

L

E

E

T

T

A

A

G

T

K

S

G

N

I

V

T

T

C

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

Y
x
W

V
|
V

L

L

T
|
T

P

P

L
|
L

V
|
V

E

Q

A

K

Q

Q

I

I

P

D

D

D

Q
x
R

M

-

K

A

A

A

H

N

D

G

M

G

D

D

R

P

E

L

T

Q

V

A

I

Q

R

H

E

D

V

L

M

L

L

A

D

E

R

K

Q

Q

P

P

S

S

R

L

Q

A

F

F

A

V

T

T

T

P

G

E

Q

H

I

L

G

G

G

E

T

L

V

V

V

L

F

F

L

L

C

C

S

S

G

E

A

A

A

G

D

S

Q

Q

I

V

T

R

G

G

T

A

I

W

S

N

V

V

D

D

G

G

W

W

T

L

A

A

active site: G15 (= G16), S138 (= S139), Y151 (= Y152), K155 (= K156), R196 (≠ Q197)
binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (≠ N14), S14 (= S15), G15 (= G16), I16 (= I17), F36 (= F37), D59 (= D64), L60 (≠ M65), N86 (= N87), G88 (= G89), L109 (≠ I110), I136 (= I137), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (= G183), W183 (≠ Y184), V184 (= V185), T186 (= T187), L188 (= L189), V189 (= V190)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
41% identity, 99% coverage: 3:256/257 of query aligns to 4:259/260 of 6zzqA

query
sites
6zzqA

L

L

N

D

G

G

K

K

R

V

A

A

I

F

V

I

T

T

G
|
G

S

S

N

A

S
|
S

G
|
G

I
|
I

G

G

L

L

G

E

C

I

A

A

E

K

L

F

A

A

R

Q

A

E

G

G

A

A

E

K

I

V

V

V

I

I

N

S

S
x
D

F
x
M

T

-

D

N

R

A

D

E

E

K

D

C

H

Q

A

E

L

T

A

A

E

N

K

S

I

L

G

-

R

K

E

E

H

Q

G

G

V

F

S

D

C

A

R

L

Y

S

I

A

A

P

A

C

D
|
D

M
x
V

S

T

D

D

G

E

E

D

A

A

C

Y

R

K

A

Q

L

A

I

I

E

E

-

L

-

T

-

Q

-

K

T

T

A

F

G

G

G

T

C

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

S

A

S

P

I

I

E

E

F

F

P

P

V

T

E

A

K

V

W

F

N

Q

A

K

I

L

L

V

A

Q

I

V

N

M

L

L

S

T

S

G

A

A

F

F

H

I

T

G

T

I

A

K

A

H

A

V

L

L

P

P

G

I

M

M

R

K

A

A

K

Q

G

K

W

Y

G

G

R

R

I

I

V

I

N

N

I
x
M

A
|
A

S
|
S

A

I

H

N

G

G

L

L

T

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

V

V

V

I

G

G

F

L

T

T

K

K

V

V

T

A

A

A

L

L

E

E

T

C

A

A

G

R

K

D

G

G

I

I

T

T

C

V

N

N

A

A

I

L

C

C

P

P

G

G

Y
|
Y

V
|
V

L

D

T
|
T

P

P

L

L

V

V

E

R

A

G

Q
|
Q

I

I

P

A

D

D

Q

L

M

A

K

K

A

T

H

R

D

N

M

V

D

S

R

L

E

D

T

S

V

A

I

L

R

E

E

D

V

V

M

I

L

L

D

A

R

M

Q

V

P

P

S

Q

R

K

Q

R

F

L

A

L

T

S

T

V

G

E

Q

E

I

I

G

A

G

D

T

Y

V

A

V

I

F

F

L

L

C

A

S

S

G

S

A

K

A

A

D

G

Q

G

I

V

T

T

G

G

T

Q

T

A

I

V

S

V

V

M

D

D

G

G

W

Y

T

T

A

A

active site: G17 (= G16), S142 (= S139), Y155 (= Y152)
binding acetoacetic acid: Q94 (= Q91), S142 (= S139), K152 (= K149), Y155 (= Y152), Q196 (= Q193)
binding nicotinamide-adenine-dinucleotide: G13 (= G12), S16 (= S15), G17 (= G16), I18 (= I17), D37 (≠ S36), M38 (≠ F37), D63 (= D64), V64 (≠ M65), N90 (= N87), A91 (= A88), G92 (= G89), M140 (≠ I137), A141 (= A138), S142 (= S139), Y155 (= Y152), K159 (= K156), Y187 (= Y184), V188 (= V185), T190 (= T187)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
41% identity, 99% coverage: 3:256/257 of query aligns to 5:260/261 of 6zzsD

query
sites
6zzsD

L

L

N

D

G

G

K

K

R

V

A

A

I

F

V

I

T

T

G
|
G

S

S

N

A

S
|
S

G
|
G

I
|
I

G

G

L

L

G

E

C

I

A

A

E

K

L

F

A

A

R

Q

A

E

G

G

A

A

E

K

I

V

V

V

I

I

N

S

S
x
D

F
x
M

T

-

D

N

R

A

D

E

E

K

D

C

H

Q

A

E

L

T

A

A

E

N

K

S

I

L

G

-

R

K

E

E

H

Q

G

G

V

F

S

D

C

A

R

L

Y

S

I

A

A

P

A

C

D
|
D

M
x
V

S

T

D

D

G

E

E

D

A

A

C

Y

R

K

A

Q

L

A

I

I

E

E

-

L

-

T

-

Q

-

K

T

T

A

F

G

G

G

T

C

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

S

A

S

P

I

I

E

E

F

F

P

P

V

T

E

A

K

V

W

F

N

Q

A

K

I

L

L

V

A

Q

I

V

N

M

L

L

S

T

S

G

A

A

F

F

H

I

T

G

T

I

A

K

A

H

A

V

L

L

P

P

G

I

M

M

R

K

A

A

K

Q

G

K

W

Y

G

G

R

R

I

I

V

I

N

N

I
x
M

A
|
A

S
|
S

A

I

H
x
N

G

G

L

L

T

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

V

V

V

I

G

G

F

L

T

T

K

K

V

V

T

A

A

A

L

L

E

E

T

C

A

A

G

R

K

D

G

G

I

I

T

T

C

V

N

N

A

A

I

L

C

C

P
|
P

G
|
G

Y

Y

V
|
V

L

D

T
|
T

P

P

L
|
L

V

V

E

R

A

G

Q
|
Q

I

I

P

A

D

D

Q

L

M

A

K

K

A

T

H

R

D

N

M

V

D

S

R

L

E

D

T

S

V

A

I

L

R

E

E

D

V

V

M

I

L

L

D

A

R

M

Q

V

P

P

S

Q

R

K

Q

R

F

L

A

L

T

S

T

V

G

E

Q

E

I

I

G

A

G

D

T

Y

V

A

V

I

F

F

L

L

C

A

S

S

G

S

A

K

A

A

D

G

Q

G

I

V

T

T

G

G

T

Q

T

A

I

V

S

V

V

M

D

D

G

G

W

Y

T

T

A

A

active site: G18 (= G16), S143 (= S139), Y156 (= Y152)
binding nicotinamide-adenine-dinucleotide: G14 (= G12), S17 (= S15), I19 (= I17), D38 (≠ S36), M39 (≠ F37), D64 (= D64), V65 (≠ M65), N91 (= N87), A92 (= A88), G93 (= G89), M141 (≠ I137), A142 (= A138), S143 (= S139), Y156 (= Y152), K160 (= K156), P186 (= P182), G187 (= G183), V189 (= V185), T191 (= T187), L193 (= L189)
binding 3-oxidanylidenepentanoic acid: Q95 (= Q91), S143 (= S139), N145 (≠ H141), K153 (= K149), Y156 (= Y152), Q197 (= Q193)

8dt1C Crystal structure of a putative d-beta-hydroxybutyrate dehydrogenase from burkholderia cenocepacia j2315 in complex with NAD
41% identity, 98% coverage: 2:254/257 of query aligns to 1:256/259 of 8dt1C

query
sites
8dt1C

D

N

L

L

N

N

G

G

K

K

R

T

A

A

I

V

V

V

T

T

G
|
G

S

A

N

A

S
|
S

G
|
G

I
|
I

G

G

L

K

G

E

C

I

A

A

E

L

E

E

L

L

A

A

R

K

A

A

G

G

A

A

E

A

I

V

V

A

I

I

N

A

S
x
D

F
x
L

T

-

D

N

R

Q

D

D

E

G

D

A

H

N

A

A

L

V

A

A

E

D

K

E

I

I

G

N

R

K

E

A

H

G

G

G

V

K

S

A

C

I

R

G

Y

-

I

V

A

A

A
x
M

D

D

M
x
V

S

T

D

N

G

E

E

E

A

A

C

V

R

N

A

T

L

G

I

I

-

D

-

K

-

V

-

A

E

E

T

A

A

F

G

G

G

S

C

V

D

D

I

I

L

L

V

V

N

S

N
|
N

A
|
A

G

G

I

I

Q

Q

H

I

V

V

S

N

S

P

I

I

E

E

E

N

F

Y

P

S

V

F

E

A

K

D

W

W

N

K

A

K

I

M

L

Q

A

A

I

I

N

H

L

V

S

D

S

G

A

A

F

F

H

L

T

T

A

K

A

A

L

L

P

K

G

H

M

M

-

Y

R

K

A

D

K

D

G

R

W

G

G

G

R

V

I

V

V

I

N

Y

I
x
M

A

G

S

S

A

V

H

H

G

S

L

H

T

E

A

A

S

S

P

P

Y

L

K

K

S

S

A

A

Y
|
Y

V

V

A

T

A

A

K
|
K

H

H

G

G

V

L

G

G

F

L

T

A

K

R

V

V

T

L

A

A

L

K

E

E

T

G

A

A

G

K

K

H

G

N

I

V

T

R

C

S

N

H

A

V

I

V

C

C

P
|
P

G
|
G

Y
x
F

V
|
V

L

R

T
|
T

P

P

L

L

V

V

E

D

A

K

Q

Q

I

I

P

P

D

E

Q

Q

M

A

K

K

A

E

H

L

D

G

M

I

D

S

R

E

E

E

T

E

V

V

I

I

R

K

E

K

V

V

M

M

L

L

D

G

R

N

Q

T

P

V

S

D

R

G

Q

V

F

F

A

T

T

T

T

V

G

Q

Q

D

I

V

G

A

G

Q

T

T

V

V

V

L

F

F

L

L

C

S

S

A

G

F

A

P

A

S

D

A

Q

A

I

L

T

T

G

G

T

Q

T

S

I

F

S

I

V

V

D

S

G

H

G

G

W

W

binding nicotinamide-adenine-dinucleotide: G11 (= G12), S14 (= S15), G15 (= G16), I16 (= I17), D35 (≠ S36), L36 (≠ F37), M60 (≠ A63), V62 (≠ M65), N88 (= N87), A89 (= A88), M139 (≠ I137), Y154 (= Y152), K158 (= K156), P184 (= P182), G185 (= G183), F186 (≠ Y184), V187 (= V185), T189 (= T187)

6zzpA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from psychrobacter arcticus complexed with NAD+ and 3-oxovalerate (see paper)
38% identity, 98% coverage: 2:254/257 of query aligns to 7:262/265 of 6zzpA

query
sites
6zzpA

D

D

L

L

N

T

G

G

K

K

R

V

A

A

I

L

V

V

T

T

G
|
G

S

A

N

A

S
|
S

G
|
G

I
|
I

G

G

L

R

G

D

C

I

A

A

E

E

E

T

L

Y

A

A

R

K

A

A

G

G

A

A

E

A

I

V

-

G

-

I

-

A

V
x
D

I
|
I

N

N

S

L

F

E

T

A

D

A

R

Q

D

K

E

T

D

V

H

D

A

A

L

I

A

E

E

A

K

A

I

G

G

G

R

R

E

A

H

L

G

A

V

I

S

A

C
x
M

R
x
D

Y

-

I
x
V

A

T

A

S

D

E

M

A

S

A

D

V

G

N

E

D

A

G

C

V

R

Q

A

R

L

L

I

V

E

D

T

T

A

F

G

G

C

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

S

D

S

P

I

I

E

H

E

K

F

M

P

A

V

F

E

E

K

D

W

W

N

K

A

K

I

M

L

L

A

A

I

I

N

H

L

L

S

D

S

G

A

A

F

F

H

L

T

T

A

K

A

A

L

I

P

Q

G

H

M

M

R

Y

A

K

-

D

K

K

G

G

W

-

G

G

R

T

I

V

V

I

N

Y

I
x
M

A

G

S
|
S

A

V

H
|
H

G

S

L

H

T

E

A

A

S

S

P

L

Y

F

K
|
K

S

A

A

P

Y
|
Y

V

V

A

T

A

A

K
|
K

H

H

G

G

V

L

G

G

F

L

T

C

K

R

V

V

T

L

A

A

L

K

E

E

T

G

A

A

G

V

K

H

G

N

I

V

T

R

C

S

N

H

A

V

I

I

C

C

P
|
P

G

G

Y
x
F

V
|
V

L

K

T
|
T

P

P

L
|
L

V
|
V

E

E

A

K

Q
|
Q

I

I

P

P

D

Q

Q

Q

M

A

K

A

A

E

H

K

D

G

M

I

D

S

R

E

E

E

T

S

V

V

I

V

R

N

E

D

V

I

M

M

L

L

D

V

R

N

Q

T

P

V

S

D

R

K

Q

E

F

F

A

T

T

T

T

V

G

D

Q

D

I

I

G

A

G

Q

T

L

V

A

V

L

F

F

L

L

C

A

S

A

G

F

A

P

A

T

D

N

Q

V

I

F

T

T

G

G

T

Q

T

S

I

I

S

V

V

A

D

S

G

H

G

G

W

W

binding nicotinamide-adenine-dinucleotide: G17 (= G12), S20 (= S15), G21 (= G16), I22 (= I17), D41 (≠ V33), I42 (= I34), M66 (≠ C58), D67 (≠ R59), V68 (≠ I61), N94 (= N87), A95 (= A88), G96 (= G89), M145 (≠ I137), S147 (= S139), Y160 (= Y152), K164 (= K156), P190 (= P182), F192 (≠ Y184), V193 (= V185), T195 (= T187), L197 (= L189), V198 (= V190)
binding 3-oxidanylidenepentanoic acid: Q98 (= Q91), S147 (= S139), H149 (= H141), K157 (= K149), Y160 (= Y152), F192 (≠ Y184), Q201 (= Q193)

6zzoC Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from psychrobacter arcticus complexed with NAD+ and acetoacetate (see paper)
38% identity, 98% coverage: 2:254/257 of query aligns to 7:262/265 of 6zzoC

query
sites
6zzoC

D

D

L

L

N

T

G

G

K

K

R

V

A

A

I

L

V

V

T

T

G
|
G

S

A

N

A

S
|
S

G
|
G

I
|
I

G

G

L

R

G

D

C

I

A

A

E

E

E

T

L

Y

A

A

R

K

A

A

G

G

A

A

E

A

I

V

-

G

-

I

-

A

V
x
D

I
|
I

N

N

S

L

F

E

T

A

D

A

R

Q

D

K

E

T

D

V

H

D

A

A

L

I

A

E

E

A

K

A

I

G

G

G

R

R

E

A

H

L

G

A

V

I

S

A

C
x
M

R
x
D

Y

-

I
x
V

A

T

A

S

D

E

M

A

S

A

D

V

G

N

E

D

A

G

C

V

R

Q

A

R

L

L

I

V

E

D

T

T

A

F

G

G

C

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

S

D

S

P

I

I

E

H

E

K

F

M

P

A

V

F

E

E

K

D

W

W

N

K

A

K

I

M

L

L

A

A

I

I

N

H

L

L

S

D

S

G

A

A

F

F

H

L

T

T

A

K

A

A

L

I

P

Q

G

H

M

M

R

Y

A

K

-

D

K

K

G

G

W

-

G

G

R

T

I

V

V

I

N

Y

I
x
M

A

G

S

S

A

V

H
|
H

G

S

L

H

T

E

A

A

S

S

P

L

Y

F

K
|
K

S

A

A

P

Y
|
Y

V

V

A

T

A

A

K
|
K

H

H

G

G

V

L

G

G

F

L

T

C

K

R

V

V

T

L

A

A

L

K

E

E

T

G

A

A

G

V

K

H

G

N

I

V

T

R

C

S

N

H

A

V

I

I

C

C

P
|
P

G

G

Y
x
F

V
|
V

L

K

T
|
T

P

P

L
|
L

V
|
V

E

E

A

K

Q
|
Q

I

I

P

P

D

Q

Q

Q

M

A

K

A

A

E

H

K

D

G

M

I

D

S

R

E

E

E

T

S

V

V

I

V

R

N

E

D

V

I

M

M

L

L

D

V

R

N

Q

T

P

V

S

D

R

K

Q

E

F

F

A

T

T

T

T

V

G

D

Q

D

I

I

G

A

G

Q

T

L

V

A

V

L

F

F

L

L

C

A

S

A

G

F

A

P

A

T

D

N

Q

V

I

F

T

T

G

G

T

Q

T

S

I

I

S

V

V

A

D

S

G

H

G

G

W

W

binding acetoacetic acid: Q98 (= Q91), H149 (= H141), K157 (= K149), F192 (≠ Y184), Q201 (= Q193)
binding nicotinamide-adenine-dinucleotide: G17 (= G12), S20 (= S15), G21 (= G16), I22 (= I17), D41 (≠ V33), I42 (= I34), M66 (≠ C58), D67 (≠ R59), V68 (≠ I61), N94 (= N87), A95 (= A88), G96 (= G89), M145 (≠ I137), Y160 (= Y152), K164 (= K156), P190 (= P182), F192 (≠ Y184), V193 (= V185), T195 (= T187), L197 (= L189), V198 (= V190)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
36% identity, 99% coverage: 3:257/257 of query aligns to 3:248/248 of 6ixmC

query
sites
6ixmC

L

L

N

D

G

N

K

K

R

V

A

A

I

L

V

V

T

T

G
|
G

S

A

N

G

S
|
S

G
|
G

I
|
I

G

G

L

L

G

A

C

V

A

A

E

H

E

S

L

Y

A

A

R

K

A

E

G

G

A

A

E

K

I

V

V

I

I

V

N

-

S

-

F

-

T

S

D
|
D

R
x
I

D

N

E

E

D

D

H

H

A

G

-

N

-

K

L

A

A

V

E

E

K

D

I

I

G

-

R

K

E

A

H

Q

G

G

V

G

S

E

C

A

R

S

Y

F

I

V

A

K

A
|
A

D
|
D

M
x
T

S

S

D

N

G

P

E

E

A

E

C

V

R

E

A

A

L

L

I

V

-

K

-

R

-

T

-

V

E

E

T

I

A

Y

G

G

G

R

C

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

S

Q

S

A

I

L

E

A

-

G

E

D

F

Y

P

G

V

L

E

D

K

S

W

W

N

R

A

K

I

V

L

L

A

S

I

I

N

N

L

L

S

D

S

G

A

V

F

F

H

Y

T

G

T

C

A

K

A

Y

A

E

L

L

P

E

G

Q

M

M

R

E

A

K

K

N

G

G

W

G

G

G

R

V

I

I

V

V

N

N

I
x
M

A

A

S
|
S

A

I

H

H

G

G

L

I

T

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

V

V

G

G

F

L

T

T

K

K

V

N

T

I

A

G

L

A

E

E

T

Y

A

G

G

Q

K

K

G

N

I

I

T

R

C

C

N

N

A

A

I

V

C

G

P
|
P

G
x
A

Y
|
Y

V
x
I

L

E

T

T

P

P

L
|
L

V

L

E

E

A

S

Q

-

I

L

P

T

D

K

Q

E

M

M

K

K

A

-

H

-

D

-

M

-

D

-

R

-

E

-

T

-

V

-

I

-

R

-

E

E

V

A

M

L

L

I

D

S

R

K

Q

H

P

P

S

M

R

G

Q

R

F

L

A

G

T

K

T

P

G

E

Q

E

I

V

G

A

G

E

T

L

V

V

V

L

F

F

L

L

C

S

S

S

G

E

A

K

A

S

D

S

Q

F

I

M

T

T

G

G

T

G

T

Y

I

Y

S

L

V

V

D

D

G

G

W

Y

T

T

A

A

L

V

active site: G16 (= G16), S142 (= S139), Y155 (= Y152), K159 (= K156)
binding nicotinamide-adenine-dinucleotide: G12 (= G12), S15 (= S15), G16 (= G16), I17 (= I17), D36 (= D39), I37 (≠ R40), A61 (= A63), D62 (= D64), T63 (≠ M65), N89 (= N87), A90 (= A88), M140 (≠ I137), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), A186 (≠ G183), Y187 (= Y184), I188 (≠ V185), L192 (= L189)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
38% identity, 99% coverage: 1:254/257 of query aligns to 1:245/247 of 4jroC

query
sites
4jroC

M

M

D

T

L

L

N

Q

G

G

K

K

R

V

A

A

I

V

V

V

T

T

G
|
G

S

G

N
x
S

S
x
R

G
|
G

I
|
I

G

G

L

R

G

D

C

I

A

A

E

I

E

N

L

L

A

A

R

K

A

E

G

G

A

A

E

N

I

I

V

F

I

F

N
|
N

S

-

F
x
Y

T
x
N

D
x
G

R
x
S

D

P

E

E

D

A

H

A

A

E

L

E

A

T

E

A

K

K

I

L

G

V

R

A

E

E

H

H

G

G

V

V

S

E

C

V

R

E

Y

A

I

M

A

K

A

A

D
x
N

M
x
V

S

A

D

I

G

A

E

E

A

D

C

V

R

D

A

A

L

F

-

F

-

K

-

Q

-

A

I

I

E

E

T

R

A

F

G

G

G

R

C

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

S

N

S

L

I

L

E

M

E

R

F

M

P

K

V

E

E

D

K

E

W

W

N

D

A

D

I

V

L

I

A

N

I
|
I

N

N

L

L

S

K

S

G

A

T

F

F

H

L

T

C

T

T

A

K

A

A

A

V

L

S

P

R

G

T

M

M

R

M

A

K

K

Q

G

R

W

A

G

G

R

K

I

I

V

I

N

N

I

M

A

A

S
|
S

A

V

H

V

G

G

L

L

T

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

V

V

V

I

G

G

F

L

T

T

K

K

V

T

T

T

A

A

L

R

E

E

T

L

A

A

G

P

K

R

G

G

I

I

T

N

C

V

N

N

A

A

I

V

C

A

P
|
P

G

G

Y

F

V
x
I

L

T

T
|
T

P

D

L

M

V

T

E

D

A

-

Q

-

I

-

P

-

D

-

Q

-

M

-

K

-

A

-

H

-

D

K

M

L

D

D

R

E

E

K

T

T

V

-

I

-

R

K

E

E

V

A

M

M

L

L

D

A

R

Q

Q

I

P

P

S

L

R

G

Q

A

F

Y

A

G

T

T

G

E

Q

D

I

I

G

A

G

N

T

A

V

V

V

L

F

F

L

L

C

A

S

S

G

D

A

A

A

S

D

K

Q

Y

I

I

T

T

G

G

T

Q

T

T

I

L

S

S

V

V

D

D

G

G

W

M

active site: G16 (= G16), S142 (= S139), Q152 (≠ K149), Y155 (= Y152), K159 (= K156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G12), S14 (≠ N14), R15 (≠ S15), G16 (= G16), I17 (= I17), N35 (= N35), Y36 (≠ F37), N37 (≠ T38), G38 (≠ D39), S39 (≠ R40), N63 (≠ D64), V64 (≠ M65), N90 (= N87), A91 (= A88), I93 (= I90), I113 (= I110), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), I188 (≠ V185), T190 (= T187)

9febA Short-chain dehydrogenase/reductase (sdr) from thermus caliditerrae in complex with NADP
38% identity, 98% coverage: 2:253/257 of query aligns to 5:256/261 of 9febA

query
sites
9febA

D

S

L

L

N

V

G

G

K

K

R

H

A

A

I

L

V

V

T

T

G
|
G

S

A

N
x
S

S
x
R

G

G

I

I

G

G

L

A

G

A

C

I

A

A

E

E

E

A

L

L

A

A

R

Q

A

A

G

G

A

A

E

R

I

L

V

T

I

L

N

V

S

A

F
x
R

T
x
K

D

L

R

Q

D

D

E

-

D

-

H

-

A

-

L

L

A

E

E

E

K

R

I

V

G

E

R

R

E

L

H

R

G

A

-

W

V

T

S

E

C

V

R

Q

Y

G

I

E

A

V

A

G

D
|
D

M

V

S

A

D

D

G

P

E

Q

A

A

C

M

R

E

A

S

L

L

I

V

-

H

-

R

-

A

-

Q

E

E

T

R

A

F

G

G

G

P

C

V

D

A

I

I

L

L

V

V

N

N

A

A

G
|
G

I

F

Q
x
V

H

L

V

T

S

A

S

P

I

F

E

L

E

E

F

I

P

N

V

E

E

E

K

L

W

W

N

Q

A

R

I

H

L

I

A

E

I

V

N

N

L

L

S

G

S

A

A

A

F

Y

H

R

T

L

T

I

A

R

A

L

L

L

P

P

G

G

M

M

R

L

A

E

K

M

G

G

W

W

G

G

R

R

I

I

V

I

N

N

I

I

A

S

S

S

A

T

H

A

G

G

L

L

T

T

A

G

S

Y

P

P

Y

Y

K

A

S

V

A

P

Y

Y

V

C

A

A

K

K

H

H

G

G

V

L

V

I

G

G

F

L

T

T

K

R

V

A

T

L

A

A

L

L

E

E

T

L

A

A

G

Q

K

R

G

G

I

I

T

T

C

V

N

N

A

A

I

I

C

C

P

P

G

G

Y

F

V

T

L

D

T

T

P

D

L

L

V

L

E

Q

A

A

Q

S

I

V

P

L

D

R

Q

V

M

A

K

Q

A

R

H

T

D

A

M

R

D

A

R

P

E

E

T

A

V

V

I

L

R

-

E

E

V

L

M

F

L

A

D

R

R

R

Q

N

P

P

S

Q

R

G

Q

R

F

L

A

V

T

R

T

P

G

E

Q

E

I

V

G

A

G

W

T

A

V

V

F

W

L

L

C

C

S

S

G

E

A

K

A

A

D

A

Q

A

I

I

T

N

G

G

T

Q

T

A

I

I

S

A

V

V

D

A

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G12), S17 (≠ N14), R18 (≠ S15), R40 (≠ F37), K41 (≠ T38), D64 (= D64), G93 (= G89), V95 (≠ Q91)

9fe6B Short-chain dehydrogenase/reductase (sdr) from thermus caliditerrae
38% identity, 98% coverage: 2:253/257 of query aligns to 5:256/261 of 9fe6B

query
sites
9fe6B

D

S

L

L

N

V

G

G

K

K

R

H

A

A

I

L

V

V

T

T

G

G

S

A

N

S

S

R

G

G

I

I

G

G

L

A

G

A

C

I

A

A

E

E

E

A

L

L

A

A

R

Q

A

A

G

G

A

A

E

R

I

L

V

T

I

L

N

V

S

A

F

R

T

K

D
x
L

R

Q

D

D

E

-

D

-

H

-

A

-

L

L

A

E

E

E

K

R

I

V

G

E

R

R

E

L

H
x
R

G

A

-

W

V

T

S

E

C
x
V

R

Q

Y
x
G

I

E

A

V

A

G

D

D

M

V

S

A

D

D

G

P

E

Q

A

A

C

M

R

E

A

S

L

L

I

V

-

H

-

R

-

A

-

Q

E

E

T
x
R

A

F

G

G

G

P

C

V

D

A

I

I

L

L

V

V

N

N

A

A

G

G

I

F

Q

V

H

L

V

T

S

A

S

P

I

F

E

L

E

E

F

I

P

N

V

E

E

E

K

L

W

W

N

Q

A

R

I

H

L

I

A

E

I

V

N

N

L

L

S

G

S

A

A

A

F

Y

H

R

T

L

T

I

A

R

A

L

L

L

P

P

G

G

M

M

R

L

A

E

K

M

G

G

W

W

G

G

R

R

I

I

V

I

N

N

I

I

A

S

S

S

A

T

H

A

G

G

L

L

T

T

A

G

S

Y

P

P

Y

Y

K

A

S

V

A

P

Y

Y

V

C

A

A

K

K

H

H

G

G

V

L

V

I

G

G

F

L

T

T

K

R

V

A

T

L

A

A

L

L

E

E

T

L

A

A

G

Q

K

R

G

G

I

I

T

T

C

V

N

N

A

A

I

I

C

C

P

P

G

G

Y

F

V

T

L

D

T

T

P

D

L

L

V

L

E

Q

A

A

Q

S

I

V

P

L

D

R

Q

V

M

A

K

Q

A

R

H

T

D

A

M

R

D

A

R

P

E

E

T

A

V

V

I

L

R

-

E

E

V

L

M

F

L

A

D

R

R

R

Q

N

P

P

S

Q

R

G

Q

R

F

L

A

V

T

R

T

P

G

E

Q

E

I

V

G

A

G

W

T

A

V

V

F

W

L

L

C

C

S

S

G

E

A

K

A

A

D

A

Q

A

I

I

T

N

G

G

T

Q

T

A

I

I

S

A

V

V

D

A

G

G

binding : L42 (≠ D39), R53 (≠ H54), V58 (≠ C58), G60 (≠ Y60), R81 (≠ T77)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
34% identity, 97% coverage: 6:254/257 of query aligns to 5:244/246 of 3osuA

query
sites
3osuA

K

K

R

S

A

A

I

L

V

V

T

T

G

G

S

A

N

S

S

R

G
|
G

I

I

G

G

L

R

G

S

C

I

A

A

E

L

E

Q

L

L

A

A

R

E

A

E

G

G

A

Y

E

N

I

V

V

A

I

V

N

N

S

Y

F

A

T

G

D

S

R

K

D

E

E

K

D

A

H

E

A

A

L

V

A

V

E

E

K

E

I

I

G

-

R

K

E

A

H

K

G

G

V

V

S

D

C

S

R

F

Y

A

I

I

A

Q

A

A

D

N

M

V

S

A

D

D

G

A

E

D

A

E

C

V

R

K

A

A

L

M

I

I

E

K

T

E

A

V

-

V

-

S

-

Q

-

F

G

G

G

S

C

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

I

I

Q

T

H

R

V

D

S

N

S

L

I

L

E

M

E

R

F

M

P

K

V

E

E

Q

K

E

W

W

N

D

A

D

I

V

L

I

A

D

I

T

N

N

L

L

S

K

S

G

A

V

F

F

H

N

T

C

T

I

A

Q

A

K

A

A

L

T

P

P

G

Q

M

M

R

L

A

R

K

Q

G

R

W

S

G

G

R

A

I

I

V

I

N

N

I

L

A

S

S
|
S

A

V

H

V

G

G

L

A

T

V

A

G

S

N

P

P

Y

G

K
x
Q

S

A

A

N

Y
|
Y

V

V

A

A

A

T

K
|
K

H

A

G

G

V

V

V

I

G

G

F

L

T

T

K

K

V

S

T

A

A

A

L

R

E

E

T

L

A

A

G

S

K

R

G

G

I

I

T

T

C

V

N

N

A

A

I

V

C

A

P

P

G

G

Y

F

V

I

L

V

T

S

P

D

L

M

V

T

E

D

A

A

Q

-

I

L

P

S

D

D

Q

E

M

L

K

K

A

-

H

-

D

-

M

-

D

-

R

-

E

-

T

-

V

-

I

-

R

-

E

E

V

Q

M

M

L

L

D

T

R

Q

Q

I

P

P

S

L

R

A

Q

R

F

F

A

G

T

Q

T

D

G

T

Q

D

I

I

G

A

G

N

T

T

V

V

V

A

F

F

L

L

C

A

S

S

G

D

A

K

A

A

D

K

Q

Y

I

I

T

T

G

G

T

Q

T

T

I

I

S

H

V

V

D

N

G

G

W

M

active site: G15 (= G16), S141 (= S139), Q151 (≠ K149), Y154 (= Y152), K158 (= K156)
binding magnesium ion: N89 (= N87), K158 (= K156)

4hp8B Crystal structure of a putative 2-deoxy-d-gluconate 3-dehydrogenase from agrobacterium tumefaciens (target efi-506435) with bound NADP
38% identity, 100% coverage: 1:256/257 of query aligns to 4:245/246 of 4hp8B

query
sites
4hp8B

M

F

D

S

L

L

N

E

G

G

K

R

R

K

A

A

I

L

V

V

T

T

G
|
G

S

A

N
|
N

S
x
T

G
|
G

I
x
L

G

G

L

Q

G

A

C

I

A

A

E

V

E

G

L

L

A

A

R

A

A

A

G

G

A

A

E

E

I

V

V

V

I

C

N

A

S

A

F
x
R

T
x
R

D

A

R

P

D

D

E

E

D

T

H

L

A

D

L

I

A

I

E

A

K

K

I

-

G

-

R

-

E

-

H

D

G

G

V

G

S

N

C

A

R

S

Y

A

I

L

A

L

A

I

D
|
D

M
x
F

S

A

D

D

G

P

E

L

A

A

C

A

R

K

A

D

L

S

I

F

E

-

T

T

A

D

G

A

G

G

C

F

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I
|
I

Q

I

H

R

V

R

S

A

S

D

I

S

E

V

E

E

F

F

P

S

V

E

E

L

K

D

W

W

N

D

A

E

I

V

L

M

A

D

I

V

N

N

L

L

S

K

S

A

A

L

F

F

H

F

T

T

A

Q

A

A

A

F

L

A

P

K

G

E

M

L

R

L

A

A

K

K

G

G

W

R

-

S

G

G

R

K

I

V

V

V

N

N

I
|
I

A

A

S
|
S

A

L

H

L

G

S

L

F

T

Q

A

G

S

G

P

I

Y

R

K
x
V

S

P

A

S

Y
|
Y

V

T

A

A

K
|
K

H

H

G

G

V

V

V

A

G

G

F

L

T

T

K

K

V

L

T

L

A

A

L

N

E

E

T

W

A

A

G

A

K

K

G

G

I

I

T

N

C

V

N

N

A

A

I

I

C

A

P
|
P

G
|
G

Y

Y

V
x
I

L

E

T
|
T

P

N

L
x
N

V
x
T

E

E

A

A

Q

L

I

R

P

A

D

D

Q

A

M

A

K

R

A

-

H

-

D

-

M

-

D

-

R

-

E

-

T

-

V

-

I

-

R

N

E

K

V

A

M

I

L

L

D

E

R

R

Q

I

P

P

S

A

R

G

Q

R

F

W

A

G

T

H

T

S

G

E

Q

D

I

I

G

A

G

G

T

A

V

A

V

V

F

F

L

L

C

S

S

S

G

A

A

A

D

D

Q

Y

I

V

T

H

G

G

T

A

T

I

I

L

S

N

V

V

D

D

G

G

W

W

T

L

A

A

active site: G19 (= G16), S138 (= S139), V148 (≠ K149), Y151 (= Y152), K155 (= K156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G12), N17 (= N14), T18 (≠ S15), G19 (= G16), L20 (≠ I17), R40 (≠ F37), R41 (≠ T38), D63 (= D64), F64 (≠ M65), N85 (= N87), G87 (= G89), I88 (= I90), I136 (= I137), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (= G183), I184 (≠ V185), T186 (= T187), N188 (≠ L189), T189 (≠ V190)

Query Sequence

>WP_011841012.1 NCBI__GCF_000015985.1:WP_011841012.1
MDLNGKRAIVTGSNSGIGLGCAEELARAGAEIVINSFTDRDEDHALAEKIGREHGVSCRY
IAADMSDGEACRALIETAGGCDILVNNAGIQHVSSIEEFPVEKWNAILAINLSSAFHTTA
AALPGMRAKGWGRIVNIASAHGLTASPYKSAYVAAKHGVVGFTKVTALETAGKGITCNAI
CPGYVLTPLVEAQIPDQMKAHDMDRETVIREVMLDRQPSRQFATTGQIGGTVVFLCSGAA
DQITGTTISVDGGWTAL

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