SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_038017963.1 NCBI__GCF_000757425.2:WP_038017963.1 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)

5u9pB Crystal structure of a gluconate 5-dehydrogenase from burkholderia cenocepacia j2315 in complex with NADP and tartrate
56% identity, 98% coverage: 5:254/254 of query aligns to 12:261/261 of 5u9pB

query
sites
5u9pB

F

F

D

R

L

L

T

D

G

G

R

R

R

R

A

A

L

L

I

I

T

T

G
|
G

S

S

T

G

Q
x
R

G
|
G

L
x
I

G

G

L

L

L

T

M

L

A

A

R

R

G

G

L

L

G

A

E

E

H

A

G

G

A

A

E

A

V

I

I

V

I

I

N

N

G

D

R
|
R

D

N

P

E

Q

E

R

K

C

A

E

A

N

T

A

L

V

A

A

R

E

R

L

F

Q

R

A

D

L

E

G

G

I

F

R

A

A

A

S

D

A

H

R

A

A

V

F

F

D
|
D

V
|
V

T

A

D

E

P

H

V

A

A

Q

V

V

T

R

A

A

A

A

I

I

D

D

S

E

I

F

E

E

T

A

E

R

T

V

G

G

P

A

L

I

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G

G

I

I

Q

Q

H

R

R

R

A

A

P

P

F

L

T

D

E

A

F

F

P

E

V

P

E

D

Q

D

W

W

D

H

R

A

I

L

I

M

D

R

V

V

N

N

Q

L

K

D

S

G

V

V

F

F

L

N

V

V

S

A

Q

Q

Q

A

V

V

A

A

R

R

K

H

M

M

M

I

V

A

R

R

K

G

R

H

G

G

K

K

I

I

I

I

N

N

I
|
I

C

C

S
|
S

M

V

Q

Q

S

S

E

E

L

L

G

A

R

R

D

P

N

T

I

I

T

A

P

P

Y
|
Y

A

A

A

A

S

T

K
|
K

G

G

A

A

V

V

K

R

M

M

L

L

T

T

R

K

G

G

M

M

C

C

V

A

E

D

L

W

A

A

R

R

Y

Y

N

G

I

I

Q

Q

V

A

N

N

A

G

I

L

A

A

P
|
P

G

G

Y

Y

F
|
F

D

E

S
x
T

E

E

M
x
L

T
x
N

A

R

A

A

L

L

V

V

N

D

D

D

K

A

Q

A

F

F

S

S

D

D

W

W

L

L

C

C

Q

K

R

R

T

T

P

P

A

A

A

G

R

R

W

W

G

G

K

Q

P

V

E

D

E

E

L

L

M

C

G

G

A

A

A

A

V

I

F

F

L

L

S

A

A

S

T

A

A

A

S

S

D

D

F

F

V

V

N

N

G

G

H

Q

V

T

L

L

F

F

V

V

D

D

G

G

G

G

M

L

L

T

A

S

S

A

V

V

active site: G27 (= G20), S152 (= S145), Y165 (= Y158), K169 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G23 (= G16), R26 (≠ Q19), G27 (= G20), I28 (≠ L21), R48 (= R41), D73 (= D66), V74 (= V67), N100 (= N93), A101 (= A94), I150 (= I143), Y165 (= Y158), K169 (= K162), P195 (= P188), F198 (= F191), T200 (≠ S193), L202 (≠ M195), N203 (≠ T196)

3o03A Quaternary complex structure of gluconate 5-dehydrogenase from streptococcus suis type 2 (see paper)
44% identity, 98% coverage: 5:254/254 of query aligns to 7:250/254 of 3o03A

query
sites
3o03A

F

F

D

S

L

L

T

K

G

G

R

K

R

I

A

A

L

L

I

V

T

T

G
|
G

S

A

T

S

Q
x
Y

G
|
G

L
x
I

G

G

L

F

L

A

M

I

A

A

R

S

G

A

L

Y

G

A

E

K

H

A

G

G

A

A

E

T

V

I

I

V

I

F

N

N

G
x
D

R
x
I

D

N

P

Q

Q

E

R
x
L

C

V

E

D

N

R

A

G

V

M

A

A

E

A

L

Y

Q

K

A

A

L

A

G

G

I

I

R

N

A

A

S

H

A

G

R

Y

A

V

F

C

D
|
D

V
|
V

T

T

D

D

P

E

V

D

A

G

V

I

T

Q

A

A

A

M

I

V

D

A

S

Q

I

I

E

E

T

S

E

E

T

V

G

G

P

I

L

I

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q
x
I

H

R

R
|
R

A

V

P

P

F

M

T

I

E

E

F

M

P

T

V

A

E

A

Q

Q

W

F

D

R

R

Q

I

V

I

I

D

D

V

I

N

D

Q

L

K

N

S

A

V

P

F

F

L

I

V

V

S

S

Q

K

Q

A

V

V

A

I

R

P

K

S

M

M

M

I

V

K

R

K

K

G

R

H

G

G

K

K

I

I

I

I

N

N

I
|
I

C

C

S
|
S

M
|
M

Q
x
M

S

S

E

E

L

L

G

G

R
|
R

D

E

N

T

I
x
V

T

S

P

A

Y
|
Y

A

A

A

A

S

A

K
|
K

G

G

A

G

V

L

K

K

M

M

L

L

T

T

R

K

G

N

M

I

C

A

V

S

E

E

L

Y

A

G

R

E

Y

A

N

N

I

I

Q

Q

V

C

N

N

A

G

I

I

A

G

P
|
P

G

G

Y

Y

F

I

D

A

S

T

E

P

M

Q

T

T

A

-

A

-

L

-

V

-

N

-

D

-

K

H

Q

P

F

F

S

D

D

Q

W

F

L

I

C

I

Q

A

R

K

T

T

P

P

A

A

A

A

R

R

W

W

G

G

K

E

P

A

E

E

E

D

L

L

M

M

G

G

A

P

A

A

V

V

F

F

L

L

S

A

A

S

T

D

A

A

S

S

D

N

F

F

V

V

N

N

G

G

H

H

V

I

L

L

F

Y

V

V

D

D

G

G

G

G

M

I

L

L

A

A

S

Y

V

I

active site: G22 (= G20), S147 (= S145), V157 (≠ I155), Y160 (= Y158), K164 (= K162)
binding calcium ion: S147 (= S145), M148 (= M146), P190 (= P188)
binding D-gluconic acid: I99 (≠ Q97), R101 (= R99), S147 (= S145), M149 (≠ Q147), R154 (= R152), Y160 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G16), Y21 (≠ Q19), G22 (= G20), I23 (≠ L21), D42 (≠ G40), I43 (≠ R41), L47 (≠ R45), D68 (= D66), V69 (= V67), N95 (= N93), A96 (= A94), G97 (= G95), I145 (= I143), Y160 (= Y158), K164 (= K162), P190 (= P188)

4za2D Crystal structure of pectobacterium carotovorum 2-keto-3-deoxy-d- gluconate dehydrogenase complexed with NAD+ (see paper)
43% identity, 98% coverage: 5:252/254 of query aligns to 6:246/247 of 4za2D

query
sites
4za2D

F

F

D

D

L

L

T

Q

G

G

R

K

R

V

A

A

L

L

I

I

T

T

G
|
G

S

C

T
x
D

Q

T

G

G

L
|
L

G

G

L

Q

L

G

M

M

A

A

R

I

G

G

L

L

G

A

E

Q

H

A

G

G

A

C

E

D

V

I

I

V

-

G

I

V

N

N

G
x
I

R

V

D

E

P

P

Q

K

R

-

C

-

E

-

N

D

A

T

V

I

A

E

E

K

L

V

Q

T

A

A

L

L

G

G

I

R

R

R

A

F

S

L

A

S

R

L

A

T

F

A

D
|
D

V
x
M

T

S

D

N

P

V

V

S

A

G

V

H

T

A

A

E

A

L

I

V

D

E

S

K

I

A

E

V

T

A

E

E

T

F

G

G

P

H

L

V

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q

I

H

R

R

R

A

E

P

D

F

A

T

I

E

E

F

F

P

S

V

E

E

K

Q

N

W

W

D

D

R

D

I

V

I

M

D

N

V
x
L

N

N

Q

I

K

K

S

S

V

V

F

F

L

F

V

M

S

S

Q

Q

Q

T

V

V

A

A

R

R

K

Q

M

F

M

I

V

K

R

Q

-

G

K

K

R

G

G

G

K

K

I

I

I

I

N

N

I
|
I

C

A

S
|
S

M

M

Q

L

S

S

E

F

L

Q

G

G

R

G

D

I

N

R

I

V

T

P

P

S

Y
|
Y

A

T

A

A

S

S

K
|
K

G

S

A

A

V

V

K

M

M

G

L

V

T

T

R

R

G

L

M

M

C

A

V

N

E

E

L

W

A

A

R

K

Y

H

N

G

I

I

Q

N

V

V

N

N

A

A

I

I

A

A

P

P

G
|
G

Y

Y

F
x
M

D

-

S

-

E

-

M

-

T

-

A

-

A

A

L
x
T

V

N

N
|
N

D

T

K

Q

Q

E

F

R

S

S

D

K

W

E

L

I

C

L

Q

D

R

R

T

I

P

P

A

A

A

G

R

R

W

W

G

G

K

L

P

P

E

Q

E

D

L

L

M

M

G

G

A

P

A

S

V

V

F

F

L

L

S

A

A

S

T

S

A

A

S

S

D

D

F

Y

V

I

N

N

G

G

H

Y

V

T

L

I

F

A

V

V

D

D

G

G

G

G

M

W

L

L

A

A

binding nicotinamide-adenine-dinucleotide: G17 (= G16), D19 (≠ T18), L22 (= L21), I42 (≠ G40), D65 (= D66), M66 (≠ V67), N92 (= N93), A93 (= A94), G94 (= G95), L115 (≠ V116), I143 (= I143), S145 (= S145), Y158 (= Y158), K162 (= K162), G189 (= G189), M191 (≠ F191), T193 (≠ L199), N195 (= N201)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
37% identity, 98% coverage: 4:253/254 of query aligns to 1:252/252 of 1vl8B

query
sites
1vl8B

L

V

F

F

D

D

L

L

T

R

G

G

R

R

R

V

A

A

L

L

I

V

T

T

G
|
G

S

G

T

S

Q
x
R

G
|
G

L
|
L

G

G

L

F

L

G

M

I

A

A

R

Q

G

G

L

L

G

A

E

E

H

A

G

G

A

C

E

S

V

V

I

V

I

V

N

A

G
x
S

R
|
R

D

N

P

L

Q

E

R

E

C

A

E

S

N

E

A

A

V

A

A

Q

E

K

L

L

-

T

Q

E

A

K

L

Y

G

G

I

V

R

E

A

T

S

M

A

A

R

F

A

R

F
x
C

D
|
D

V
|
V

T

S

D

N

P

Y

V

E

A

E

V

V

T

K

A

K

A

L

I

L

D

E

S

A

I

V

E

K

T

E

E

K

T

F

G

G

P

K

L

L

D

D

I

T

L

V

I

V

N

N

N
x
A

A
|
A

G
|
G

I
|
I

Q

N

H

R

R

R

A

H

P

P

F

A

T

E

E

E

F

F

P

P

V

L

E

D

Q

E

W

F

D

R

R

Q

I

V

I

I

D

E

V
|
V

N

N

Q

L

K

F

S

G

V

T

F

Y

L

Y

V

V

S

C

Q

R

Q

E

V

A

A

F

R

S

K

L

M

L

M

R

V

E

R

S

K

D

R

N

G

P

K

S

I

I

I

I

N

N

I
|
I

C

G

S
|
S

M

L

Q

T

-

V

S

E

E

E

L

V

G

T

R

M

D

P

N

N

I
|
I

T

S

P

A

Y
|
Y

A

A

A

A

S

S

K
|
K

G

G

A

G

V

V

K

A

M

S

L

L

T

T

R

K

G

A

M

L

C

A

V

K

E

E

L

W

A

G

R

R

Y

Y

N

G

I

I

Q

R

V

V

N

N

A

V

I

I

A

A

P
|
P

G
|
G

Y

W

F
x
Y

D

R

S
x
T

E

K

M
|
M

T
|
T

A

E

A

A

L

V

V

F

N

S

D

D

K

P

Q

E

F

K

S

L

D

D

W

Y

L

M

C

L

Q

K

R

R

T

I

P

P

A

L

A

G

R

R

W

T

G

G

K

V

P

P

E

E

E

D

L

L

M

K

G

G

A

V

A

A

V

V

F

F

L

L

S

A

A

S

T

E

A

E

S

A

D

K

F

Y

V

V

N

T

G

G

H

Q

V

I

L

I

F

F

V

V

D

D

G

G

G

G

M

W

L

T

A

A

S

N

active site: G17 (= G20), S143 (= S145), I154 (= I155), Y157 (= Y158), K161 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G16), R16 (≠ Q19), G17 (= G20), L18 (= L21), S37 (≠ G40), R38 (= R41), C63 (≠ F65), D64 (= D66), V65 (= V67), A91 (≠ N93), A92 (= A94), G93 (= G95), I94 (= I96), V114 (= V116), I141 (= I143), S143 (= S145), Y157 (= Y158), K161 (= K162), P187 (= P188), G188 (= G189), Y190 (≠ F191), T192 (≠ S193), M194 (= M195), T195 (= T196)

4hp8B Crystal structure of a putative 2-deoxy-d-gluconate 3-dehydrogenase from agrobacterium tumefaciens (target efi-506435) with bound NADP
44% identity, 98% coverage: 5:252/254 of query aligns to 4:245/246 of 4hp8B

query
sites
4hp8B

F

F

D

S

L

L

T

E

G

G

R

R

R

K

A

A

L

L

I

V

T

T

G
|
G

S

A

T
x
N

Q
x
T

G
|
G

L
|
L

G

G

L

Q

L

A

M

I

A

A

R

V

G

G

L

L

G

A

E

A

H

A

G

G

A

A

E

E

V

V

I

V

I

C

N

A

G

A

R
|
R

D
x
R

-

A

P

P

Q

D

R

E

C

T

E

L

N

D

A

I

V

I

A

A

E

K

L

D

Q

-

A

-

L

-

G

G

I

G

R

N

A

A

S

S

A

A

R

L

A

L

F

I

D
|
D

V
x
F

T

A

D

D

P

P

V

L

A

A

V

-

T

-

A

-

A

A

I

K

D

D

S

S

I

F

E

-

T

T

E

D

T

A

G

G

P

-

L

F

D

D

I

I

L

L

I

V

N

N

N
|
N

A

A

G
|
G

I
|
I

Q

I

H

R

R

R

A

A

P

D

F

S

T

V

E

E

F

F

P

S

V

E

E

L

Q

D

W

W

D

D

R

E

I

V

I

M

D

D

V

V

N

N

Q

L

K

K

S

A

V

L

F

F

L

F

V

T

S

T

Q

Q

Q

A

V

F

A

A

R

K

K

E

M

L

M

L

V

A

R

K

K

G

R

R

-

S

G

G

K

K

I

V

I

V

N

N

I
|
I

C

A

S
|
S

M

L

Q

L

S

S

E

F

L

Q

G

G

R

G

D

I

N

R

I
x
V

T

P

P

S

Y
|
Y

A

T

A

A

S

A

K
|
K

G

H

A

G

V

V

K

A

M

G

L

L

T

T

R

K

G

L

M

L

C

A

V

N

E

E

L

W

A

A

R

A

Y

K

N

G

I

I

Q

N

V

V

N

N

A

A

I

I

A

A

P
|
P

G
|
G

Y

Y

F
x
I

D

E

S
x
T

E

N

M
x
N

T
|
T

A

E

A

A

L

L

V

R

N

A

D

D

K

A

Q

A

F

R

S

N

D

K

W

A

L

I

C

L

Q

E

R

R

T

I

P

P

A

A

A

G

R

R

W

W

G

G

K

H

P

S

E

E

E

D

L

I

M

A

G

G

A

A

A

A

V

V

F

F

L

L

S

S

A

S

T

A

A

A

S

A

D

D

F

Y

V

V

N

H

G

G

H

A

V

I

L

L

F

N

V

V

D

D

G

G

G

G

M

W

L

L

A

A

active site: G19 (= G20), S138 (= S145), V148 (≠ I155), Y151 (= Y158), K155 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G16), N17 (≠ T18), T18 (≠ Q19), G19 (= G20), L20 (= L21), R40 (= R41), R41 (≠ D42), D63 (= D66), F64 (≠ V67), N85 (= N93), G87 (= G95), I88 (= I96), I136 (= I143), Y151 (= Y158), K155 (= K162), P181 (= P188), G182 (= G189), I184 (≠ F191), T186 (≠ S193), N188 (≠ M195), T189 (= T196)

3uf0A Crystal structure of a putative NAD(p) dependent gluconate 5- dehydrogenase from beutenbergia cavernae(efi target efi-502044) with bound NADP (low occupancy)
39% identity, 98% coverage: 5:253/254 of query aligns to 3:249/249 of 3uf0A

query
sites
3uf0A

F

F

D

S

L

L

T

A

G

G

R

R

R

T

A

A

L

V

I

V

T

T

G
|
G

S

A

T

G

Q
x
S

G
|
G

L
x
I

G

G

L

R

L

A

M

I

A

A

R

H

G

G

L

Y

G

A

E

R

H

A

G

G

A

A

E

H

V

V

I

L

I

A

N

W

G

G

R
|
R

D

T

P

D

Q

G

R

V

C

K

E

E

N

V

A

A

V

-

A

D

E

E

L

I

Q

A

A

D

L

G

G

G

I

G

R

S

A

A

S

E

A

A

R

V

A

V

F

A

D
|
D

V
x
L

T

A

D

D

P

L

V

E

A

G

V

A

T

A

A

N

A

V

I

A

D

E

S

E

I

L

E

A

T

A

E

-

T

T

G

R

P

R

L

V

D

D

I

V

L

L

I

V

N

N

N
|
N

A

A

G
|
G

I
|
I

Q

I

H

A

R

R

A

A

P

P

F

A

T

E

E

E

F

V

P

S

V

L

E

G

Q

R

W

W

D

R

R

E

I

V

I

L

D

T

V

V

N

N

Q

L

K

D

S

A

V

A

F

W

L

V

V

L

S

S

Q

R

Q

S

V

F

A

G

R

T

K

A

M

M

M

L

V

A

R

H

K

G

R

S

G

G

K

R

I

I

I

V

N

T

I
|
I

C
x
A

S
|
S

M

M

Q

L

S

S

E

F

L

Q

G

G

R

G

D

R

N

N

I
x
V

T

A

P

A

Y
|
Y

A

A

A

A

S

S

K
|
K

G

H

A

A

V

V

K

V

M

G

L

L

T

T

R

R

G

A

M

L

C

A

V

S

E

E

L

W

A

A

R

G

Y

R

N

G

I

V

Q

G

V

V

N

N

A

A

I

L

A

A

P
|
P

G
|
G

Y

Y

F
x
V

D

V

S
x
T

E

A

M
x
N

T
|
T

A

A

A

A

L

L

V

R

N

A

D

D

K

D

Q

E

F

R

S

A

D

A

W

E

L

I

C

T

Q

A

R

R

T

I

P

P

A

A

A

G

R

R

W

W

G

A

K

T

P

P

E

E

E

D

L

M

M

V

G

G

A

P

A

A

V

V

F

F

L

L

S

A

A

S

T

D

A

A

S

A

D

S

F

Y

V

V

N

H

G

G

H

Q

V

V

L

L

F

A

V

V

D

D

G

G

G

G

M

W

L

L

A

A

S

S

active site: G18 (= G20), S141 (= S145), V151 (≠ I155), Y154 (= Y158), K158 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G16), S17 (≠ Q19), G18 (= G20), I19 (≠ L21), R39 (= R41), D63 (= D66), L64 (≠ V67), N89 (= N93), G91 (= G95), I92 (= I96), I139 (= I143), A140 (≠ C144), S141 (= S145), Y154 (= Y158), K158 (= K162), P184 (= P188), G185 (= G189), V187 (≠ F191), T189 (≠ S193), N191 (≠ M195), T192 (= T196)

3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
36% identity, 98% coverage: 2:250/254 of query aligns to 1:244/247 of 3op4A

query
sites
3op4A

S

S

K

Q

L

F

F

M

D

N

L

L

T

E

G

G

R

K

R

V

A

A

L

L

I

V

T

T

G
|
G

S

A

T
x
S

Q
x
R

G

G

L
x
I

G

G

L

K

L

A

M

I

A

A

R

E

G

L

L

L

G

A

E

E

H

R

G

G

A

A

E

K

V

V

I

I

I

G

N

T

G

A

R
x
T

D

S

P

E

Q

S

R

G

C

A

E

Q

N

-

A

A

V

I

A

S

E

D

L

Y

Q

-

A

-

L

L

G

G

I

D

R

N

A

G

S

K

A

G

R

M

A

A

F

L

D
x
N

V
|
V

T

T

D

N

P

P

V

E

A

S

V

I

T

E

A

A

A

V

I

L

D

K

S

A

I

I

E

T

T

D

E

E

T

F

G

G

P

G

L

V

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G

G

I
|
I

Q

T

H

R

R

D

A

N

P

L

F

L

T

M

E

R

F

M

P

K

V

E

E

E

Q

E

W

W

D

S

R

D

I

I

I

M

D

E

V

T

N

N

Q

L

K

T

S

S

V

I

F

F

L

R

V

L

S

S

Q

K

Q

A

V

V

A

L

R

R

K

G

M

M

M

M

V

K

R

K

K

R

R

Q

G

G

K

R

I

I

I

I

N

N

I
x
V

C

G

S
|
S

M

V

Q

V

S

G

E

T

L

M

G

G

R

N

D

A

N

G

I

Q

T

A

P

N

Y
|
Y

A

A

A

A

S

A

K
|
K

G

A

A

G

V

V

K

I

M

G

L

F

T

T

R

K

G

S

M

M

C

A

V

R

E

E

L

V

A

A

R

S

Y

R

N

G

I

V

Q

T

V

V

N

N

A

T

I

V

A

A

P
|
P

G
|
G

Y

F

F
x
I

D

E

S
x
T

E

D

M
|
M

T

T

A

K

A

A

L

L

V

-

N

N

D

D

K

E

Q

Q

F

R

S

T

D

A

W

T

L

L

C

A

Q

Q

R

-

T

V

P

P

A

A

A

G

R

R

W

L

G

G

K

D

P

P

E

R

E

E

L

I

M

A

G

S

A

A

A

V

V

A

F

F

L

L

S

A

A

S

T

P

A

E

S

A

D

A

F

Y

V

I

N

T

G

G

H

E

V

T

L

L

F

H

V

V

D

N

G

G

G

G

M

M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G16), S17 (≠ T18), R18 (≠ Q19), I20 (≠ L21), T40 (≠ R41), N62 (≠ D66), V63 (= V67), N89 (= N93), A90 (= A94), I92 (= I96), V139 (≠ I143), S141 (= S145), Y154 (= Y158), K158 (= K162), P184 (= P188), G185 (= G189), I187 (≠ F191), T189 (≠ S193), M191 (= M195)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
35% identity, 98% coverage: 2:250/254 of query aligns to 1:240/243 of 4i08A

query
sites
4i08A

S

S

K

Q

L

F

F

M

D

N

L

L

T

E

G

G

R

K

R

V

A

A

L

L

I

V

T

T

G
|
G

S

A

T
x
S

Q
x
R

G
|
G

L
x
I

G

G

L

K

L

A

M

I

A

A

R

E

G

L

L

L

G

A

E

E

H

R

G

G

A

A

E

K

V

V

I

I

I

G

N

T

G

A

R
x
T

D

S

P

E

Q

S

R

G

C

A

E

Q

N

-

A

A

V

I

A

S

E

D

L

Y

Q

-

A

-

L

L

G

G

I

D

R

N

A

G

S

K

A

G

R

M

A

A

F

L

D
x
N

V
|
V

T

T

D

N

P

P

V

E

A

S

V

I

T

E

A

A

A

V

I

L

D

K

S

A

I

I

E

T

T

D

E

E

T

F

G

G

P

G

L

V

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G

G

I

I

Q

T

H

R

R

D

A

N

P

L

F

L

T

M

E

R

F

M

P

K

V

E

E

E

Q

E

W

W

D

S

R

D

I

I

I

M

D

E

V

T

N
|
N

Q

L

K

T

S

S

V

I

F

F

L

R

V

L

S

S

Q

K

Q

A

V

V

A

L

R

R

K

G

M

M

M

M

V

K

R

K

K

R

R

Q

G

G

K

R

I

I

I

I

N

N

I

V

C
x
G

S
|
S

M

V

Q

V

S

G

E

T

L

M

G

G

R

N

D

A

N

G

I
x
Q

T

A

P

N

Y
|
Y

A

A

A

A

S

A

K
|
K

G

A

A

G

V

V

K

I

M

G

L

F

T

T

R

K

G

S

M

M

C

A

V

R

E

E

L

V

A

A

R

S

Y

R

N

G

I

V

Q

T

V

V

N

N

A

T

I

V

A

A

P
|
P

G
|
G

Y

F

F

I

D

E

S
x
T

E

D

M

M

T

-

A

-

A

-

L

-

V

-

N

N

D

D

K

E

Q

Q

F

R

S

T

D

A

W

T

L

L

C

A

Q

Q

R

-

T

V

P

P

A

A

A

G

R

R

W

L

G

G

K

D

P

P

E

R

E

E

L

I

M

A

G

S

A

A

A

V

V

A

F

F

L

L

S

A

A

S

T

P

A

E

S

A

D

A

F

Y

V

I

N

T

G

G

H

E

V

T

L

L

F

H

V

V

D

N

G

G

G

G

M

M

active site: G19 (= G20), N113 (= N117), S141 (= S145), Q151 (≠ I155), Y154 (= Y158), K158 (= K162)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G16), S17 (≠ T18), R18 (≠ Q19), I20 (≠ L21), T40 (≠ R41), N62 (≠ D66), V63 (= V67), N89 (= N93), A90 (= A94), G140 (≠ C144), S141 (= S145), Y154 (= Y158), K158 (= K162), P184 (= P188), G185 (= G189), T189 (≠ S193)

2q2qD Structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas putida (see paper)
36% identity, 97% coverage: 7:252/254 of query aligns to 2:254/255 of 2q2qD

query
sites
2q2qD

L

L

T

K

G

G

R

K

R

T

A

A

L

L

I

V

T

T

G
|
G

S

S

T
|
T

Q
x
S

G
|
G

L
x
I

G

G

L

L

L

G

M

I

A

A

R

Q

G

V

L

L

G

A

E

R

H

A

G

G

A

A

E

N

V

I

I

V

I

L

N

N

G

G

-
x
F

R

G

D

D

P

P

Q

A

R

P

C

-

E

-

N

-

A

A

V

L

A

A

E

E

L

I

Q

A

A

R

L

H

G

G

I

V

R

K

A

A

S

V

A

H

R

H

A

P

F

A

D
|
D

V
x
L

T

S

D

D

P

V

V

A

A

Q

V

I

T

E

A

A

A

L

I

F

D

A

S

L

I

A

E

E

T

R

E

E

T

F

G

G

P

G

L

V

D

D

I

I

L

L

I

V

N

N

N
|
N

A

A

G
|
G

I

I

Q

Q

H

H

R

V

A

A

P

P

F

V

T

E

E

Q

F

F

P

P

V

L

E

E

Q

S

W

W

D

D

R

K

I

I

I

I

D

A

V
x
L

N

N

Q

L

K

S

S

A

V

V

F

F

L

H

V

G

S

T

Q

R

Q

L

V

A

A

L

R

P

K

G

M

M

M

R

V

A

R

R

K

N

R

W

G

G

K

R

I

I

I

I

N

N

I
|
I

C

A

S
|
S

M

V

Q

H

S

G

E

L

L

V

G

G

R

S

D

T

N

G

I

K

T

A

P

A

Y
|
Y

A

V

A

A

S

A

K
|
K

G

H

A

G

V

V

K

V

M

G

L

L

T

T

R

K

G

V

M

V

C

G

V

L

E

E

L

T

A

A

R

T

Y

S

N

N

I

V

Q

T

V

C

N

N

A

A

I

I

A

C

P
|
P

G
|
G

Y
x
W

F
x
V

D

L

S
x
T

E

P

M
x
L

T
x
V

A

Q

A

K

L

Q

V

I

N

D

D

D

K
x
R

Q

A

F

A

S

N

-

G

-

G

-

D

-

P

-

L

-

Q

-

A

-

Q

-

H

D

D

W

L

L

L

C

A

Q

E

R

K

T

Q

P

P

A

S

A

L

R

A

W

F

G

V

K

T

P

P

E

E

E

H

L

L

M

G

G

E

A

L

A

V

V

L

F

F

L

L

S

C

A

S

T

E

A

A

S

G

D

S

F

Q

V

V

N

R

G

G

H

A

V

A

L

W

F

N

V

V

D

D

G

G

G

G

M

W

L

L

A

A

active site: G15 (= G20), S138 (= S145), Y151 (= Y158), K155 (= K162), R196 (≠ K203)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), T13 (= T18), S14 (≠ Q19), G15 (= G20), I16 (≠ L21), F36 (vs. gap), D59 (= D66), L60 (≠ V67), N86 (= N93), G88 (= G95), L109 (≠ V116), I136 (= I143), S138 (= S145), Y151 (= Y158), K155 (= K162), P181 (= P188), G182 (= G189), W183 (≠ Y190), V184 (≠ F191), T186 (≠ S193), L188 (≠ M195), V189 (≠ T196)

5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
36% identity, 97% coverage: 7:252/254 of query aligns to 2:259/260 of 5b4tA

query
sites
5b4tA

L

L

T

K

G

G

R

K

R

K

A

A

L

V

I

V

T

T

G
|
G

S

S

T
|
T

Q

S

G
|
G

L
x
I

G

G

L

L

L

A

M

M

A

A

R

T

G

E

L

L

G

A

E

K

H

A

G

G

A

A

E

D

V

V

I

V

I

I

N

N

G

G

-
x
F

R

G

D

Q

P

P

Q

E

R

D

C

I

E

E

N

R

A

E

V

R

A

S

E

T

L

L

Q

E

A

S

-

K

L

F

G

G

I

V

R

K

A

A

S

Y

A

Y

R

L

A

N

F

A

D
|
D

V
x
L

T

S

D

D

P

A

V

Q

A

A

V

T

T

R

A

D

A

F

I

I

D

A

S

K

I

A

E

A

T

E

E

A

T

L

G

G

P

G

L

L

D

D

I

I

L

L

I

V

N

N

N
|
N

A

A

G
|
G

I

I

Q
|
Q

H

H

R

T

A

A

P

P

F

I

T

E

E

E

F

F

P

P

V

V

E

D

Q

K

W

W

D

N

R

A

I

I

I

I

D

A

V
x
L

N
|
N

Q

L

K

S

S

A

V

V

F

F

L

H

V

G

S

T

Q

A

Q

A

V

A

A

L

R

P

K

I

M

M

M

Q

V

K

R

Q

K

G

R

W

G

G

K

R

I

I

I

I

N

N

I
|
I

C

A

S
|
S

M

A

Q
x
H

S

G

E

L

L

V

G

A

R

S

D

V

N

N

I
x
K

T

S

P

A

Y
|
Y

A

V

A

A

S

A

K
|
K

G

H

A

G

V

V

K

V

M

G

L

L

T

T

R

K

G

V

M

T

C

A

V

L

E

E

L

N

A

A

R

G

Y

K

N

G

I

I

Q

T

V

C

N

N

A

A

I

I

A

C

P
|
P

G
|
G

Y
x
W

F
x
V

D

R

S
x
T

E

P

M
x
L

T
x
V

A

E

A

K

L
x
Q

V

I

N

E

-

A

-
x
I

-

S

-

Q

-

Q

-

K

-

G

-

I

-

D

-

I

D

E

K

A

Q

A

F

A

S

R

D

E

W

L

L

L

C

A

Q

E

R

K

T

Q

P

P

A

S

A

L

R

Q

W

F

G

V

K

T

P

P

E

E

E

Q

L

L

M

G

G

G

A

A

A

A

V

V

F

F

L

L

S

S

A

S

T

A

A

A

S

A

D

D

F

Q

V

M

N

T

G

G

H

T

V

T

L

L

F

S

V

L

D

D

G

G

G

G

M

W

L

T

A

A

active site: G15 (= G20), N114 (= N117), S142 (= S145), Y155 (= Y158), K159 (= K162), I200 (vs. gap)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q97), S142 (= S145), H144 (≠ Q147), K152 (≠ I155), Y155 (= Y158), W187 (≠ Y190), Q196 (≠ L199)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), T13 (= T18), G15 (= G20), I16 (≠ L21), F36 (vs. gap), D63 (= D66), L64 (≠ V67), N90 (= N93), G92 (= G95), L113 (≠ V116), I140 (= I143), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189), W187 (≠ Y190), V188 (≠ F191), T190 (≠ S193), L192 (≠ M195), V193 (≠ T196)

3w8dA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
36% identity, 97% coverage: 7:252/254 of query aligns to 2:259/260 of 3w8dA

query
sites
3w8dA

L

L

T

K

G

G

R

K

R

K

A

A

L

V

I

V

T

T

G
|
G

S

S

T
|
T

Q
x
S

G
|
G

L
x
I

G

G

L

L

L

A

M

M

A

A

R

T

G

E

L

L

G

A

E

K

H

A

G

G

A

A

E

D

V

V

I

V

I

I

N

N

G

G

-
x
F

R

G

D

Q

P

P

Q

E

R

D

C

I

E

E

N

R

A

E

V

R

A

S

E

T

L

L

Q

E

A

S

-

K

L

F

G

G

I

V

R

K

A

A

S

Y

A

Y

R

L

A

N

F
x
A

D
|
D

V
x
L

T

S

D

D

P

A

V

Q

A

A

V

T

T

R

A

D

A

F

I

I

D

A

S

K

I

A

E

A

T

E

E

A

T

L

G

G

P

G

L

L

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q
|
Q

H

H

R

T

A

A

P

P

F

I

T

E

E

E

F

F

P

P

V

V

E

D

Q

K

W

W

D

N

R

A

I

I

I

I

D

A

V
x
L

N
|
N

Q

L

K

S

S

A

V

V

F

F

L

H

V

G

S

T

Q

A

Q

A

V

A

A

L

R

P

K

I

M

M

M

Q

V

K

R

Q

K

G

R

W

G

G

K

R

I

I

I

I

N

N

I

I

C

A

S
|
S

M

A

Q
x
H

S

G

E

L

L

V

G

A

R

S

D

V

N

N

I
x
K

T

S

P

A

Y
|
Y

A

V

A

A

S

A

K
|
K

G

H

A

G

V

V

K

V

M

G

L

L

T

T

R

K

G

V

M

T

C

A

V

L

E

E

L

N

A

A

R

G

Y

K

N

G

I

I

Q

T

V

C

N

N

A

A

I

I

A

C

P
|
P

G
|
G

Y
x
W

F
x
V

D

R

S
x
T

E

P

M
x
L

T
x
V

A

E

A

K

L
x
Q

V

I

N

E

-

A

-
x
I

-

S

-

Q

-

Q

-

K

-

G

-

I

-

D

-

I

D

E

K

A

Q

A

F

A

S

R

D

E

W

L

L

L

C

A

Q

E

R

K

T

Q

P

P

A

S

A

L

R

Q

W

F

G

V

K

T

P

P

E

E

E

Q

L

L

M

G

G

G

A

A

A

A

V

V

F

F

L

L

S

S

A

S

T

A

A

A

S

A

D

D

F

Q

V

M

N

T

G

G

H

T

V

T

L

L

F

S

V

L

D

D

G

G

G

G

M
x
W

L

T

A

A

active site: G15 (= G20), N114 (= N117), S142 (= S145), Y155 (= Y158), K159 (= K162), I200 (vs. gap)
binding methylmalonic acid: Q94 (= Q97), S142 (= S145), H144 (≠ Q147), K152 (≠ I155), Y155 (= Y158), W187 (≠ Y190), Q196 (≠ L199), W257 (≠ M250)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), T13 (= T18), S14 (≠ Q19), G15 (= G20), I16 (≠ L21), F36 (vs. gap), A62 (≠ F65), D63 (= D66), L64 (≠ V67), N90 (= N93), A91 (= A94), G92 (= G95), L113 (≠ V116), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189), W187 (≠ Y190), V188 (≠ F191), T190 (≠ S193), L192 (≠ M195), V193 (≠ T196)

3vdrA Crystal structure of d-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate d-3-hydroxybutyrate and NAD(+) (see paper)
36% identity, 97% coverage: 7:252/254 of query aligns to 2:259/260 of 3vdrA

query
sites
3vdrA

L

L

T

K

G

G

R

K

R

K

A

A

L

V

I

V

T

T

G
|
G

S

S

T
|
T

Q

S

G
|
G

L
x
I

G

G

L

L

L

A

M

M

A

A

R

T

G

E

L

L

G

A

E

K

H

A

G

G

A

A

E

D

V

V

I

V

I

I

N

N

G

G

-
x
F

R

G

D

Q

P

P

Q

E

R

D

C

I

E

E

N

R

A

E

V

R

A

S

E

T

L

L

Q

E

A

S

-

K

L

F

G

G

I

V

R

K

A

A

S

Y

A

Y

R

L

A

N

F

A

D
|
D

V
x
L

T

S

D

D

P

A

V

Q

A

A

V

T

T

R

A

D

A

F

I

I

D

A

S

K

I

A

E

A

T

E

E

A

T

L

G

G

P

G

L

L

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q
|
Q

H

H

R

T

A

A

P

P

F

I

T

E

E

E

F

F

P

P

V

V

E

D

Q

K

W

W

D

N

R

A

I

I

I

I

D

A

V
x
L

N
|
N

Q

L

K

S

S

A

V

V

F

F

L

H

V

G

S

T

Q

A

Q

A

V

A

A

L

R

P

K

I

M

M

M

Q

V

K

R

Q

K

G

R

W

G

G

K

R

I

I

I

I

N

N

I

I

C

A

S
|
S

M

A

Q
x
H

S

G

E

L

L

V

G

A

R

S

D

V

N

N

I
x
K

T

S

P

A

Y
|
Y

A

V

A

A

S

A

K
|
K

G

H

A

G

V

V

K

V

M

G

L

L

T

T

R

K

G

V

M

T

C

A

V

L

E

E

L

N

A

A

R

G

Y

K

N

G

I

I

Q

T

V

C

N

N

A

A

I

I

A

C

P

P

G
|
G

Y
x
W

F
x
V

D

R

S
x
T

E

P

M
x
L

T
x
V

A

E

A

K

L
x
Q

V

I

N

E

-

A

-
x
I

-

S

-

Q

-

Q

-

K

-

G

-

I

-

D

-

I

D

E

K

A

Q

A

F

A

S

R

D

E

W

L

L

L

C

A

Q

E

R

K

T

Q

P

P

A

S

A

L

R

Q

W

F

G

V

K

T

P

P

E

E

E

Q

L

L

M

G

G

G

A

A

A

A

V

V

F

F

L

L

S

S

A

S

T

A

A

A

S

A

D

D

F

Q

V

M

N

T

G

G

H

T

V

T

L

L

F

S

V

L

D

D

G

G

G

G

M
x
W

L

T

A

A

active site: G15 (= G20), N114 (= N117), S142 (= S145), Y155 (= Y158), K159 (= K162), I200 (vs. gap)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q97), H144 (≠ Q147), K152 (≠ I155), Y155 (= Y158), W187 (≠ Y190), Q196 (≠ L199), W257 (≠ M250)
binding acetoacetic acid: Q94 (= Q97), H144 (≠ Q147), K152 (≠ I155), Y155 (= Y158), W187 (≠ Y190), Q196 (≠ L199), W257 (≠ M250)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), T13 (= T18), I16 (≠ L21), F36 (vs. gap), D63 (= D66), L64 (≠ V67), N90 (= N93), A91 (= A94), G92 (= G95), L113 (≠ V116), K159 (= K162), G186 (= G189), V188 (≠ F191), T190 (≠ S193), L192 (≠ M195), V193 (≠ T196)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G16), T13 (= T18), I16 (≠ L21), F36 (vs. gap), D63 (= D66), L64 (≠ V67), N90 (= N93), A91 (= A94), G92 (= G95), L113 (≠ V116), S142 (= S145), Y155 (= Y158), K159 (= K162), G186 (= G189), V188 (≠ F191), T190 (≠ S193), L192 (≠ M195), V193 (≠ T196)

3vdqA Crystal structure of alcaligenes faecalis d-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate (see paper)
36% identity, 97% coverage: 7:252/254 of query aligns to 2:259/260 of 3vdqA

query
sites
3vdqA

L

L

T

K

G

G

R

K

R

K

A

A

L

V

I

V

T

T

G
|
G

S

S

T

T

Q
x
S

G
|
G

L
x
I

G

G

L

L

L

A

M

M

A

A

R

T

G

E

L

L

G

A

E

K

H

A

G

G

A

A

E

D

V

V

I

V

I

I

N

N

G

G

-
x
F

R

G

D

Q

P

P

Q

E

R

D

C

I

E

E

N

R

A

E

V

R

A

S

E

T

L

L

Q

E

A

S

-

K

L

F

G

G

I

V

R

K

A

A

S

Y

A

Y

R

L

A

N

F

A

D
|
D

V
x
L

T

S

D

D

P

A

V

Q

A

A

V

T

T

R

A

D

A

F

I

I

D

A

S

K

I

A

E

A

T

E

E

A

T

L

G

G

P

G

L

L

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I

I

Q
|
Q

H

H

R

T

A

A

P

P

F

I

T

E

E

E

F

F

P

P

V

V

E

D

Q

K

W

W

D

N

R

A

I

I

I

I

D

A

V
x
L

N
|
N

Q

L

K

S

S

A

V

V

F

F

L

H

V

G

S

T

Q

A

Q

A

V

A

A

L

R

P

K

I

M

M

M

Q

V

K

R

Q

K

G

R

W

G

G

K

R

I

I

I

I

N

N

I
|
I

C

A

S
|
S

M

A

Q
x
H

S

G

E

L

L

V

G

A

R

S

D

V

N

N

I
x
K

T

S

P

A

Y
|
Y

A

V

A

A

S

A

K
|
K

G

H

A

G

V

V

K

V

M

G

L

L

T

T

R

K

G

V

M

T

C

A

V

L

E

E

L

N

A

A

R

G

Y

K

N

G

I

I

Q

T

V

C

N

N

A

A

I

I

A

C

P
|
P

G
|
G

Y
x
W

F
x
V

D

R

S
x
T

E

P

M
x
L

T
x
V

A

E

A

K

L
x
Q

V

I

N

E

-

A

-
x
I

-

S

-

Q

-

Q

-

K

-

G

-

I

-

D

-

I

D

E

K

A

Q

A

F

A

S

R

D

E

W

L

L

L

C

A

Q

E

R

K

T

Q

P

P

A

S

A

L

R

Q

W

F

G

V

K

T

P

P

E

E

E

Q

L

L

M

G

G

G

A

A

A

A

V

V

F

F

L

L

S

S

A

S

T

A

A

A

S

A

D

D

F

Q

V

M

N

T

G

G

H

T

V

T

L

L

F

S

V

L

D

D

G

G

G

G

M

W

L

T

A

A

active site: G15 (= G20), N114 (= N117), S142 (= S145), Y155 (= Y158), K159 (= K162), I200 (vs. gap)
binding acetate ion: Q94 (= Q97), H144 (≠ Q147), K152 (≠ I155), W187 (≠ Y190), L192 (≠ M195), Q196 (≠ L199)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), S14 (≠ Q19), I16 (≠ L21), F36 (vs. gap), D63 (= D66), L64 (≠ V67), N90 (= N93), A91 (= A94), G92 (= G95), L113 (≠ V116), I140 (= I143), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189), W187 (≠ Y190), V188 (≠ F191), T190 (≠ S193), L192 (≠ M195), V193 (≠ T196)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
37% identity, 99% coverage: 1:251/254 of query aligns to 2:243/244 of 4nbuB

query
sites
4nbuB

M

M

S

S

K

R

L

L

F

Q

D

D

L

-

T

-

G

-

R

K

R

V

A

A

L

I

I

I

T

T

G
|
G

S

A

T

A

Q
x
N

G
|
G

L
x
I

G

G

L

L

L

E

M

A

A

A

R

R

G

V

L

F

G

M

E

K

H

E

G

G

A

A

E

K

V

V

I

V

I

I

N

A

G
x
D

R
x
F

D

N

P

E

Q

A

R

A

C

G

E

K

N

E

A

A

V

V

-

E

A

A

E

N

L

P

Q

G

A

V

L

V

G

F

I

I

R

R

A
x
V

S

-

A

-

R

-

A

-

F

-

D
|
D

V
|
V

T

S

D

D

P

R

V

E

A

S

V

V

T

H

A

R

A

L

I

V

D

E

S

N

I

V

E

A

T

E

E

R

T

F

G

G

P

K

L

I

D

D

I

I

L

L

I

I

N

N

N
|
N

A
|
A

G
|
G

I
|
I

Q

T

H

R

R
x
D

A

S

P

M

F

L

T

S

E
x
K

F

M

P

T

V

V

E

D

Q

Q

W

F

D

Q

R

Q

I

V

I

I

D

N

V

V

N
|
N

Q

L

K

T

S

G

V

V

F

F

L

H

V

C

S

T

Q

Q

Q

A

V

V

A

L

R

P

K

Y

M

M

M

A

V

E

R

Q

K

G

R

K

G

G

K

K

I

I

I

I

N

N

I
x
T

C

S

S
|
S

M

V

Q

T

S

G

E

T

L

Y

G

G

R
x
N

D
x
V

N

G

I
x
Q

T

T

P

N

Y
|
Y

A

A

A

A

S

A

K
|
K

G

A

A

G

V

V

K

I

M

G

L

M

T

T

R

K

G

T

M

W

C

A

V

K

E

E

L

L

A

A

R

R

Y

K

N

G

I

I

Q

N

V

V

N

N

A

A

I

V

A

A

P
|
P

G

G

Y
x
F

F
x
T

D

E

S
x
T

E

A

M
|
M

T

V

A

A

A

E

L

V

V

-

N

-

D

P

K

E

Q

K

F

V

S

I

D

E

W
x
K

L

M

C

K

Q

A

R

Q

T

V

P

P

A

M

A

G

R

R

W

L

G

G

K

K

P

P

E

E

E

D

L

I

M

A

G

N

A

A

A

Y

V

L

F

F

L

L

S

A

A

S

T

H

A

E

S

S

D

D

F

Y

V

V

N

N

G

G

H

H

V

V

L

L

F

H

V

V

D

D

G

G

G

G

M

I

L

M

active site: G18 (= G20), N111 (= N117), S139 (= S145), Q149 (≠ I155), Y152 (= Y158), K156 (= K162)
binding acetoacetyl-coenzyme a: D93 (≠ R99), K98 (≠ E104), S139 (= S145), N146 (≠ R152), V147 (≠ D153), Q149 (≠ I155), Y152 (= Y158), F184 (≠ Y190), M189 (= M195), K200 (≠ W208)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G16), N17 (≠ Q19), G18 (= G20), I19 (≠ L21), D38 (≠ G40), F39 (≠ R41), V59 (≠ A60), D60 (= D66), V61 (= V67), N87 (= N93), A88 (= A94), G89 (= G95), I90 (= I96), T137 (≠ I143), S139 (= S145), Y152 (= Y158), K156 (= K162), P182 (= P188), F184 (≠ Y190), T185 (≠ F191), T187 (≠ S193), M189 (= M195)

5ha5D Crystal structure of an NAD-bound oxidoreductase from brucella ovis
37% identity, 97% coverage: 7:253/254 of query aligns to 4:244/244 of 5ha5D

query
sites
5ha5D

L

L

T

K

G

E

R

K

R

L

A

V

L

L

I

V

T

T

G
|
G

S

A

T

G

Q
x
R

G
|
G

L
|
L

G

G

L

A

L

A

M

I

A

S

R

S

G

G

L

A

G

A

E

E

H

Q

G

G

A

A

E

R

V

V

I

I

I

L

N

V

G
x
D

R
x
I

D

D

P

G

Q

T

R

A

C

A

E

K

N

A

A

Q

V

A

A

D

E

A

L

L

Q

T

A

A

L

K

G

G

I

F

R

V

A

A

S

E

A

G

R

H

A

A

F
x
L

D
|
D

V
|
V

T

T

D

D

P

R

V

D

A

A

V

V

T

A

A

A

A

L

I

A

D

D

S

D

I

I

E

L

T

S

E

R

T

F

G

G

P

G

L

L

D

D

I

V

L

L

I

V

N

N

N
|
N

A
|
A

G

G

I

V

Q

A

H

G

R

R

A

A

P

A

F

F

T

D

E

Q

-

P

F

E

P

A

V

V

E

E

Q

V

W

W

D

D

R

R

I

V

I

I

D

G

V

V

N

N

Q

L

K

E

S

G

V

A

F

F

L

N

V

V

S

S

Q

H

Q

A

V

L

A

V

R

P

K

A

M

L

M

K

V

A

R

A

K

K

R

-

G

G

K

N

I

V

I

V

N

H

I

L

C

C

S
|
S

M

V

Q

A

S

G

E

F

L

V

G

S

R

G

D

G

N

S

I

T

T

A

P

G

Y
|
Y

A

V

A

V

S

S

K
|
K

G

G

A

A

V

I

K

R

M

S

L

L

T

T

R

Q

G

V

M

M

C

A

V

R

E

D

L

L

A

A

R

P

Y

H

N

G

I

I

Q

R

V

V

N

N

A

A

I

V

A

A

P

P

G
|
G

Y

I

F
x
M

D

M

S
|
S

E

E

M

M

T

A

A

V

A

A

L

-

V

-

N

-

D

-

K

-

Q

-

F

G

S

T

D

D

W

W

L

F

C

M

Q

N

R

R

T

V

P

M

A

M

A

K

R

R

W

I

G

G

K

E

P

T

E

S

E

E

L

V

M

V

G

D

A

P

A

V

V

V

F

F

L

L

S

A

A

S

T

P

A

M

S

A

D

S

F

Y

V

I

N

T

G

G

H

T

V

I

L

L

F

P

V

V

D

D

G

G

G

G

M

F

L

L

A

A

S

A

active site: G17 (= G20), S142 (= S145), Y155 (= Y158), K159 (= K162)
binding nicotinamide-adenine-dinucleotide: G13 (= G16), R16 (≠ Q19), G17 (= G20), L18 (= L21), D37 (≠ G40), I38 (≠ R41), L62 (≠ F65), D63 (= D66), V64 (= V67), N90 (= N93), A91 (= A94), S142 (= S145), Y155 (= Y158), K159 (= K162), G186 (= G189), M188 (≠ F191), S190 (= S193)

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
36% identity, 98% coverage: 2:251/254 of query aligns to 1:246/247 of 7tzpG

query
sites
7tzpG

S

S

K

N

L

A

F

M

D

K

L

L

T

A

G

S

R

K

R

T

A

A

L

I

I

V

T

T

G
|
G

S

A

T

A

Q
x
R

G
|
G

L
x
I

G

G

L

F

L

G

M

I

A

A

R

Q

G

V

L

L

G

A

E

R

H

E

G

G

A

A

E

R

V

V

I

I

I

I

N

A

G
x
D

R
|
R

D

D

P

A

Q

H

R

G