SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_143148066.1 NCBI__GCF_000283015.1:WP_143148066.1 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)

4hp8B Crystal structure of a putative 2-deoxy-d-gluconate 3-dehydrogenase from agrobacterium tumefaciens (target efi-506435) with bound NADP
44% identity, 97% coverage: 9:257/257 of query aligns to 4:246/246 of 4hp8B

query
sites
4hp8B

F

F

K

S

L

L

T

E

G

G

K

R

K

K

A

A

I

L

V

V

V

T

G
|
G

G

A

A
x
N

G
x
T

D
x
G

L
|
L

G

G

I

Q

A

A

M

I

V

A

E

V

A

G

I

L

S

A

E

A

A

A

G

G

A

A

Q

E

T

V

V

V

V

C

I

A

D

A

Y
x
R

D

-

R
|
R

V

A

F

P

D

D

M

E

C

T

K

L

D

D

L

I

-

I

N

A

K

K

K

D

G

G

L

G

D

N

V

A

S

S

P

A

L

L

K

L

A

I

D
|
D

V
x
F

S

A

Q

D

I

P

E

L

Q

A

I

A

K

K

E

D

S

S

Y

F

K

T

A

D

A

A

L

-

D

-

I

-

L

-

G

-

T

G

V

F

D

D

I

I

L

L

I

V

N

N

S
x
N

A

A

G
|
G

I
|
I

Q

I

R

R

Y

A

P

D

S

S

E

V

E

E

F

F

P

S

E

E

E

L

E

D

W

W

S

D

K

E

V

V

I

M

S

D

I

V

N

N

L

L

D

K

A

A

T

L

F

F

Y

F

Y

T

C

T

K

Q

-

A

Y

F

A

A

G

K

N

E

T

L

M

L

L

A

K

K

N

G

G

R

G

S

G

G

K

K

I

V

N

N

I
|
I

A

A

S
|
S

L

L

M

L

S

S

F

F

L

Q

G

G

I

I

T

R

I
x
V

P

P

A

S

Y
|
Y

A

T

A

A

S

A

K
|
K

G

H

G

G

V

V

A

A

Q

G

L

L

T

T

K

K

A

L

L

L

S

A

N

N

D

E

W

W

A

A

K

K

G

G

I

I

C

N

V

V

N

N

G

A

I

I

A

A

P
|
P

G
|
G

Y

Y

M
x
I

D

E

T
|
T

Q

N

L
x
N

N
x
T

T

E

A

A

L

L

I

R

N

A

D

D

K

A

R

R

T

N

E

K

E

A

V

I

F

L

I

E

R

R

V

I

P

P

M

A

K

G

R

R

W

W

G

G

T

H

G

S

E

E

D

D

L

I

K

A

G

G

L

A

T

A

V

V

F

F

L

L

A

S

S

S

P

A

A

A

S

A

D

D

Y

Y

I

V

T

H

G

G

T

A

I

I

I

L

P

N

V

V

D

D

G

G

Y

W

L

L

G

A

R

R

active site: G19 (≠ D24), S138 (= S149), V148 (≠ I159), Y151 (= Y162), K155 (= K166)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G20), N17 (≠ A22), T18 (≠ G23), G19 (≠ D24), L20 (= L25), R40 (≠ Y45), R41 (= R48), D63 (= D69), F64 (≠ V70), N85 (≠ S97), G87 (= G99), I88 (= I100), I136 (= I147), Y151 (= Y162), K155 (= K166), P181 (= P192), G182 (= G193), I184 (≠ M195), T186 (= T197), N188 (≠ L199), T189 (≠ N200)

5u9pB Crystal structure of a gluconate 5-dehydrogenase from burkholderia cenocepacia j2315 in complex with NADP and tartrate
38% identity, 98% coverage: 2:253/257 of query aligns to 5:256/261 of 5u9pB

query
sites
5u9pB

M

M

Q

T

N

H

I

A

L

L

E

D

Q

R

F

F

K

R

L

L

T

D

G

G

K

R

A

A

I

L

V

I

V

T

G
|
G

G

S

A

G

G
x
R

D
x
G

L
x
I

G

G

I

L

A

T

M

L

V

A

E

R

A

G

I

L

S

A

E

E

A

A

G

G

A

A

Q

A

T

I

V

V

V

I

I

N

D

D

Y
x
R

-

N

D

E

R

K

V

A

F

A

D

T

M

L

C

A

K

R

D

R

L

F

N

R

K

D

K

E

G

G

L

F

D

A

V

A

S

D

P

H

L

A

K

V

A

F

D
|
D

V
|
V

S

A

Q

E

I

H

E

A

Q

Q

I

V

K

R

E

-

S

-

Y

-

K

-

A

A

L

I

D

D

I

E

L

F

G

E

-

A

-

R

-

V

G

G

T

A

V

I

D

D

I

I

L

L

I

V

N

N

S
x
N

A
|
A

G

G

I

I

Q

Q

R

R

Y

A

P

P

S

L

E

D

E

A

F

F

P

E

E

P

E

D

W

W

S

H

K

A

V

L

I

M

S

R

I

V

N

N

L

L

D

D

A

G

T

V

F

F

Y

N

Y

V

C

A

K

Q

Y

A

A

V

G

A

N

R

T

H

M

M

L

I

K

A

N

R

G

G

G

H

G

G

K

K

I

I

N

N

I
|
I

A

C

S
|
S

L

V

M

Q

S

S

F

E

L

L

G

A

G

R

I

P

T

T

I

I

P

A

A

P

Y
|
Y

A

A

S

T

K
|
K

G

G

G

A

V

V

A

R

Q

M

L

L

T

T

K

K

A

G

L

M

S

C

N

A

D

D

W

W

A

A

A

R

K

Y

G

G

I

I

C

Q

V

A

N

N

G

G

I

L

A

A

P
|
P

G

G

Y

Y

M
x
F

D

E

T
|
T

Q

E

L
|
L

N
|
N

T

R

A

A

L

L

I

V

N

D

D

D

K

A

R

F

T

S

E

D

E

W

V

L

F

C

I

K

R

R

V

T

P

P

M

A

K

G

R

R

W

W

G

G

T

Q

G

V

E

D

D

E

L

L

K

C

G

G

L

A

T

A

V

I

F

F

L

L

A

A

S

S

P

A

A

A

S

S

D

D

Y

F

I

V

T

N

G

G

T

Q

I

T

I

L

P

F

V

V

D

D

G

G

active site: G27 (≠ D24), S152 (= S149), Y165 (= Y162), K169 (= K166)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G23 (= G20), R26 (≠ G23), G27 (≠ D24), I28 (≠ L25), R48 (≠ Y45), D73 (= D69), V74 (= V70), N100 (≠ S97), A101 (= A98), I150 (= I147), Y165 (= Y162), K169 (= K166), P195 (= P192), F198 (≠ M195), T200 (= T197), L202 (= L199), N203 (= N200)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
41% identity, 96% coverage: 9:254/257 of query aligns to 2:249/252 of 1vl8B

query
sites
1vl8B

F

F

K

D

L

L

T

R

G

G

K

R

K

V

A

A

I

L

V

V

V

T

G
|
G

G

G

A

S

G
x
R

D
x
G

L
|
L

G

G

I

F

A

G

M

I

V

A

E

Q

A

G

I

L

S

A

E

E

A

A

G

G

A

C

Q

S

T

V

V

V

I

A

D
x
S

Y
x
R

D

N

-

L

D

E

R

E

V

A

F

S

D

E

M

A

C

A

K

Q

D

K

L

L

N

T

K

E

K

K

-

Y

G

G

L

V

D

E

V

T

S

M

P

A

L

F

K

R

A
x
C

D
|
D

V
|
V

S

S

Q

N

I

Y

E

E

Q

E

I

V

K

K

E

K

S

L

Y

L

K

E

A

A

A

V

L

K

D

E

I

K

L

F

G

G

G

-

T

K

V

L

D

D

I

T

L

V

I

V

N

N

S
x
A

A
|
A

G
|
G

I
|
I

Q

N

R

R

Y

H

P

P

S

A

E

E

F

F

P

P

E

L

E

D

E

E

W

F

S

R

K

Q

V

V

I

I

S

E

I
x
V

N

N

L

L

D

F

A

G

T

T

F

Y

Y

Y

Y

V

C

C

K

R

Y

E

A

A

G

F

N

S

T

L

M

L

L

R

K

E

N

S

G

D

G

N

G

P

K

S

I

I

N

N

I
|
I

A

G

S
|
S

L

L

M

T

S

-

F

-

L

V

G

E

I

V

T

T

I

M

P

P

-

N

-
x
I

-

S

A

A

Y
|
Y

A

A

S

S

K
|
K

G

G

V

V

A

A

Q

S

L

L

T

T

K

K

A

A

L

L

S

A

N

K

D

E

W

W

A

G

A

R

K

Y

G

G

I

I

C

R

V

V

N

N

G

V

I

I

A

A

P
|
P

G
|
G

Y

W

M
x
Y

D

R

T
|
T

Q

K

L
x
M

N
x
T

T

E

A

A

L

V

I

F

N

S

D

D

K

P

K

E

R

K

T

L

E

D

E

Y

V

M

F

L

I

K

R

R

V

I

P

P

M

L

K

G

R

R

W

T

G

G

T

V

G

P

E

E

D

D

L

L

K

K

G

G

L

V

T

A

V

V

F

F

L

L

A

A

S

S

P

E

A

E

S

A

D

K

Y

Y

I

V

T

T

G

G

T

Q

I

I

P

F

V

V

D

D

G

G

Y

W

active site: G17 (≠ D24), S143 (= S149), I154 (vs. gap), Y157 (= Y162), K161 (= K166)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G20), R16 (≠ G23), G17 (≠ D24), L18 (= L25), S37 (≠ D44), R38 (≠ Y45), C63 (≠ A68), D64 (= D69), V65 (= V70), A91 (≠ S97), A92 (= A98), G93 (= G99), I94 (= I100), V114 (≠ I120), I141 (= I147), S143 (= S149), Y157 (= Y162), K161 (= K166), P187 (= P192), G188 (= G193), Y190 (≠ M195), T192 (= T197), M194 (≠ L199), T195 (≠ N200)

4za2D Crystal structure of pectobacterium carotovorum 2-keto-3-deoxy-d- gluconate dehydrogenase complexed with NAD+ (see paper)
42% identity, 98% coverage: 5:257/257 of query aligns to 2:247/247 of 4za2D

query
sites
4za2D

I

I

L

L

E

N

Q

S

F

F

K

D

L

L

T

Q

G

G

K

K

K

V

A

A

I

L

V

I

V

T

G
|
G

G

C

A
x
D

G

T

D

G

L
|
L

G

G

I

Q

A

G

M

M

V

A

E

I

A

G

I

L

S

A

E

Q

A

A

G

G

A

C

Q

D

T

I

V

V

V

G

I

V

D

N

Y
x
I

D

V

D

E

R

P

V

K

F

-

D

D

M

T

C

I

K

E

D

K

L

V

N

T

K

A

K

L

G

G

L

R

D

R

V

F

S

L

P

S

L

L

K

T

A

A

D
|
D

V
x
M

S

S

Q

N

I

V

E

S

Q

G

I

H

K

A

E

E

S

L

Y

V

K

E

A

K

A

A

L

V

D

A

I

E

L

F

G

G

G

-

T

H

V

V

D

D

I

I

L

L

I

V

N

N

S
x
N

A
|
A

G
|
G

I

I

Q

I

R

R

Y

E

P

D

S

A

E

I

E

E

F

F

P

S

E

E

E

K

E

N

W

W

S

D

K

D

V

V

I

M

S

N

I
x
L

N

N

L

I

D

K

A

S

T

V

F

F

Y

F

Y

M

C

S

K

Q

Y

T

A

V

G

A

N

R

T

Q

M

F

L

I

K

K

N

Q

G

G

-

K

G

G

K

K

I

I

N

N

I
|
I

A

A

S
|
S

L

M

M

L

S

S

F

F

L

Q

G

G

I

I

T

R

I

V

P

P

A

S

Y
|
Y

A

T

A

A

S

S

K
|
K

G

S

G

A

V

V

A

M

Q

G

L

V

T

T

K

R

A

L

L

M

S

A

N

N

D

E

W

W

A

A

A

K

K

H

G

G

I

I

C

N

V

V

N

N

G

A

I

I

A

A

P

P

G
|
G

Y

Y

M
|
M

D

A

T
|
T

Q

N

L

-

N

-

T

-

A

-

L

-

I

-

N
|
N

D

T

K

Q

K

E

R

R

T

S

E

K

E

E

V

I

F

L

I

D

R

R

V

I

P

P

M

A

K

G

R

R

W

W

G

G

T

L

G

P

E

Q

D

D

L

L

K

M

G

G

L

P

T

S

V

V

F

F

L

L

A

A

S

S

P

S

A

A

S

S

D

D

Y

Y

I

I

T

N

G

G

T

Y

I

T

I

I

P

A

V

V

D

D

G

G

Y

W

L

L

G

A

R

R

binding nicotinamide-adenine-dinucleotide: G17 (= G20), D19 (≠ A22), L22 (= L25), I42 (≠ Y45), D65 (= D69), M66 (≠ V70), N92 (≠ S97), A93 (= A98), G94 (= G99), L115 (≠ I120), I143 (= I147), S145 (= S149), Y158 (= Y162), K162 (= K166), G189 (= G193), M191 (= M195), T193 (= T197), N195 (= N205)

3uf0A Crystal structure of a putative NAD(p) dependent gluconate 5- dehydrogenase from beutenbergia cavernae(efi target efi-502044) with bound NADP (low occupancy)
38% identity, 96% coverage: 9:255/257 of query aligns to 3:247/249 of 3uf0A

query
sites
3uf0A

F

F

K

S

L

L

T

A

G

G

K

R

K

T

A

A

I

V

V

V

V

T

G
|
G

G

A

A

G

G
x
S

D
x
G

L
x
I

G

G

I

R

A

A

M

I

V

A

E

H

A

G

I

Y

S

A

E

R

A

A

G

G

A

A

Q

H

T

V

V

L

V

A

I

W

D

G

Y
x
R

D

T

D

D

R

G

V

V

F

K

D

E

M

V

C

A

K

D

D

E

L

I

N

A

K

D

K

G

G

G

L

G

D

S

V

A

S

E

P

A

L

V

K

V

A

A

D
|
D

V
x
L

S

A

Q

D

I

L

E

E

-

G

-

A

Q

N

I

V

K

A

E

E

S

E

Y

L

K

A

A

A

A

T

L

R

D

-

I

-

L

-

G

-

T

R

V

V

D

D

I

V

L

L

I

V

N

N

S
x
N

A

A

G
|
G

I
|
I

Q

I

R

A

R

R

Y

A

P

P

S

A

E

E

F

V

P

S

E

L

E

G

E

R

W

W

S

R

K

E

V

V

I

L

S

T

I

V

N

N

L

L

D

D

A

A

T

A

F

W

Y

V

Y

L

C

S

K

R

Y

S

A

F

G

G

N

T

T

A

M

M

L

L

K

A

N

H

G

G

G

S

G

G

K

R

I

I

I

V

N

T

I
|
I

A
|
A

S
|
S

L

M

M

L

S

S

F

F

L

Q

G

G

I

R

T

N

I
x
V

P

A

A

A

Y
|
Y

A

A

S

S

K
|
K

G

H

G

A

V

V

A

V

Q

G

L

L

T

T

K

R

A

A

L

L

S

A

N

S

D

E

W

W

A

A

A

G

K

R

G

G

I

V

C

G

V

V

N

N

G

A

I

L

A

A

P
|
P

G
|
G

Y

Y

M
x
V

D

V

T
|
T

Q

A

L
x
N

N
x
T

T

A

A

A

L

L

I

R

N

A

D

D

K

D

K

E

R

R

T

A

E

A

E

E

V

I

F

T

I

A

R

R

V

I

P

P

M

A

K

G

R

R

W

W

G

A

T

T

G

P

E

E

D

D

L

M

K

V

G

G

L

P

T

A

V

V

F

F

L

L

A

A

S

S

P

D

A

A

S

A

D

S

Y

Y

I

V

T

H

G

G

T

Q

I

V

I

L

P

A

V

V

D

D

G

G

Y

W

L

L

active site: G18 (≠ D24), S141 (= S149), V151 (≠ I159), Y154 (= Y162), K158 (= K166)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G20), S17 (≠ G23), G18 (≠ D24), I19 (≠ L25), R39 (≠ Y45), D63 (= D69), L64 (≠ V70), N89 (≠ S97), G91 (= G99), I92 (= I100), I139 (= I147), A140 (= A148), S141 (= S149), Y154 (= Y162), K158 (= K166), P184 (= P192), G185 (= G193), V187 (≠ M195), T189 (= T197), N191 (≠ L199), T192 (≠ N200)

3o03A Quaternary complex structure of gluconate 5-dehydrogenase from streptococcus suis type 2 (see paper)
39% identity, 98% coverage: 3:255/257 of query aligns to 1:247/254 of 3o03A

query
sites
3o03A

Q

Q

N

F

I

S

L

L

E

D

Q

Q

F

F

K

S

L

L

T

K

G

G

K

K

K

I

A

A

I

L

V

V

V

T

G
|
G

G

A

A

S

G
x
Y

D
x
G

L
x
I

G

G

I

F

A

A

M

I

V

A

E

S

A

A

I

Y

S

A

E

K

A

A

G

G

A

A

Q

T

T

I

V

V

V

F

I

N

D
|
D

Y
x
I

D

N

D

Q

R

E

V
x
L

F

V

D

D

M

R

C

G

K

M

D

A

L

A

N

Y

K

K

K

A

-

A

G

G

L

I

D

N

V

A

S

H

P

G

L

Y

K

V

A

C

D
|
D

V
|
V

S

T

Q

D

I

E

E

D

Q

G

I

I

K

-

E

Q

S

A

Y

M

K

V

A

A

A

Q

L

I

D

E

I

S

L

E

G

V

G

G

T

I

V

I

D

D

I

I

L

L

I

V

N

N

S
x
N

A
|
A

G
|
G

I

I

Q
x
I

R

R

R
|
R

Y

V

P

P

S

M

E

I

E

E

F

M

P

T

E

A

E

Q

W

F

S

R

K

Q

V

V

I

I

S

D

I

I

N

D

L

L

D

N

A

A

T

P

F

F

Y

I

Y

V

C

S

K

K

Y

A

A

V

G

I

N

P

T

S

M

M

L

I

K

K

N

K

G

G

G

H

G

G

K

K

I

I

N

N

I
|
I

A

C

S
|
S

L
x
M

M
|
M

S

S

F

E

L

L

G

G

G
x
R

I

E

T

T

I
x
V

P

S

A

A

Y
|
Y

A

A

S

A

K
|
K

G

G

V

L

A

K

Q

M

L

L

T

T

K

K

A

N

L

I

S

A

N

S

D

E

W

Y

A

G

A

E

K

A

G

N

I

I

C

Q

V

C

N

N

G

G

I

I

A

G

P
|
P

G

G

Y

Y

M

I

D

A

T

T

Q

P

L

Q

N

T

T

H

A

P

L

F

I

-

N

-

D

-

K

-

R

-

T

D

E

Q

E

F

V

I

F

I

I

A

R

K

V

T

P

P

M

A

K

A

R

R

W

W

G

G

T

E

G

A

E

E

D

D

L

L

K

M

G

G

L

P

T

A

V

V

F

F

L

L

A

A

S

S

P

D

A

A

S

S

D

N

Y

F

I

V

T

N

G

G

T

H

I

I

I

L

P

Y

V

V

D

D

G

G

Y

I

L

L

active site: G22 (≠ D24), S147 (= S149), V157 (≠ I159), Y160 (= Y162), K164 (= K166)
binding calcium ion: S147 (= S149), M148 (≠ L150), P190 (= P192)
binding D-gluconic acid: I99 (≠ Q101), R101 (= R103), S147 (= S149), M149 (= M151), R154 (≠ G156), Y160 (= Y162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G20), Y21 (≠ G23), G22 (≠ D24), I23 (≠ L25), D42 (= D44), I43 (≠ Y45), L47 (≠ V49), D68 (= D69), V69 (= V70), N95 (≠ S97), A96 (= A98), G97 (= G99), I145 (= I147), Y160 (= Y162), K164 (= K166), P190 (= P192)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
38% identity, 95% coverage: 11:255/257 of query aligns to 3:246/247 of 4jroC

query
sites
4jroC

L

L

T

Q

G

G

K

K

K

V

A

A

I

V

V

V

V

T

G
|
G

G

G

A
x
S

G
x
R

D
x
G

L
x
I

G

G

I

R

A

D

M

I

V

A

E

I

A

N

I

L

S

A

E

K

A

E

G

G

A

A

Q

N

T

-

V

I

V

F

I

F

D
x
N

Y
|
Y

D
x
N

-
x
G

-
x
S

-

P

D

E

R

A

V

A

F

E

D

E

M

T

C

A

K

K

D

L

L

V

N

A

K

E

K

H

G

G

L

V

D

E

V

V

S

E

P

A

L

M

K

K

A

A

D
x
N

V
|
V

S

A

Q

I

I

A

E

E

Q

D

I

V

K

D

E

A

S

F

Y

F

K

K

A

Q

A

A

L

I

D

E

I

R

L

F

G

G

G

-

T

R

V

V

D

D

I

I

L

L

I

V

N

N

S
x
N

A
|
A

G

G

I
|
I

Q

T

R

R

R

D

Y

N

P

L

S

L

E

M

E

R

F

M

P

K

E

E

E

D

E

E

W

W

S

D

K

D

V

V

I

I

S

N

I
|
I

N

N

L

L

D

K

A

G

T

T

F

F

Y

L

Y

C

C

T

K

K

Y

A

A

V

G

S

N

R

T

T

M

M

L

M

K

K

N

Q

G

R

G

A

G

G

K

K

I

I

N

N

I

M

A

A

S
|
S

L

V

M

V

S

G

F

L

L

I

G

G

G

N

I

A

T

G

I
x
Q

P

A

A

N

Y
|
Y

A

V

A

A

S

S

K
|
K

G

A

G

G

V

V

A

I

Q

G

L

L

T

T

K

K

A

T

L

T

S

A

N

R

D

E

W

L

A

A

A

P

K

R

G

G

I

I

C

N

V

V

N

N

G

A

I

V

A

A

P
|
P

G

G

Y

F

M
x
I

D

T

T
|
T

Q

D

L

M

N

T

T

D

A

K

L

L

I

-

N

-

D

D

K

E

K

K

R

T

T

K

E

E

E

A

V

M

F

L

I

A

R

Q

V

I

P

P

M

L

K

G

R

A

W

Y

G

G

T

T

G

T

E

E

D

D

L

I

K

A

G

N

L

A

T

V

V

L

F

F

L

L

A

A

S

S

P

D

A

A

S

S

D

K

Y

Y

I

I

T

T

G

G

T

Q

I

T

I

L

P

S

V

V

D

D

G

G

Y

M

L

V

active site: G16 (≠ D24), S142 (= S149), Q152 (≠ I159), Y155 (= Y162), K159 (= K166)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G20), S14 (≠ A22), R15 (≠ G23), G16 (≠ D24), I17 (≠ L25), N35 (≠ D44), Y36 (= Y45), N37 (≠ D46), G38 (vs. gap), S39 (vs. gap), N63 (≠ D69), V64 (= V70), N90 (≠ S97), A91 (= A98), I93 (= I100), I113 (= I120), S142 (= S149), Y155 (= Y162), K159 (= K166), P185 (= P192), I188 (≠ M195), T190 (= T197)

5b4tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and a substrate d-3- hydroxybutyrate (see paper)
36% identity, 96% coverage: 11:257/257 of query aligns to 2:260/260 of 5b4tA

query
sites
5b4tA

L

L

T

K

G

G

K

K

A

A

I

V

V

V

V

T

G
|
G

G

S

A
x
T

G

S

D
x
G

L
x
I

G

G

I

L

A

A

M

M

V

A

E

T

A

E

I

L

S

A

E

K

A

A

G

G

A

A

Q

D

T

V

V

V

V

I

I

N

D

G

Y
x
F

-

G

-

Q

-

P

D

E

D

D

R

I

V

E

F

R

D

E

M

R

C

S

K

T

D

L

L

E

N

S

K

K

K

F

G

G

L

V

D

K

V

A

S

Y

P

Y

L

L

K

N

A

A

D
|
D

V
x
L

S

S

Q

D

I

A

E

Q

Q

A

I

T

K

R

E

D

S

F

Y

I

K

A

A

K

A

A

L

A

D

E

I

A

L

L

G

G

T

-

V

L

D

D

I

I

L

L

I

V

N

N

S
x
N

A

A

G
|
G

I

I

Q
|
Q

R

H

R

T

Y

A

P

P

S

I

E

E

F

F

P

P

E

V

E

D

E

K

W

W

S

N

K

A

V

I

I

I

S

A

I
x
L

N
|
N

L

L

D

S

A

A

T

V

F

F

Y

H

Y

G

C

T

K

A

Y

A

A

A

G

L

N

P

T

I

M

M

L

Q

K

K

N

Q

G

G

G

W

G

G

K

R

I

I

N

N

I
|
I

A

A

S
|
S

L

A

M
x
H

S

G

F

L

L

V

G

A

G

S

I

V

T

N

I
x
K

P

S

A

A

Y
|
Y

A

V

A

A

S

A

K
|
K

G

H

G

G

V

V

A

V

Q

G

L

L

T

T

K

K

A

V

L

T

S

A

N

L

D

E

W

N

A

A

A

G

K

K

G

G

I

I

C

T

V

C

N

N

G

A

I

I

A

C

P
|
P

G
|
G

Y
x
W

M
x
V

D

R

T
|
T

Q

P

L
|
L

N
x
V

T

E

A

K

L
x
Q

I

I

N

E

D

A

K
x
I

K

S

R

Q

T

Q

E

K

E

G

V

I

F

D

I

I

-

E

-

A

-

R

-

E

-

L

-

A

-

E

R

K

V

Q

P

P

M

S

K

L

R

Q

W

F

G

V

T

T

G

P

E

E

D

Q

L

L

K

G

G

G

L

A

T

A

V

V

F

F

L

L

A

S

S

S

P

A

A

A

S

A

D

D

Y

Q

I

M

T

T

G

G

T

T

I

T

I

L

P

S

V

L

D

D

G

G

Y

W

L

T

G

A

R

R

active site: G15 (≠ D24), N114 (= N121), S142 (= S149), Y155 (= Y162), K159 (= K166), I200 (≠ K207)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q101), S142 (= S149), H144 (≠ M151), K152 (≠ I159), Y155 (= Y162), W187 (≠ Y194), Q196 (≠ L203)
binding nicotinamide-adenine-dinucleotide: G11 (= G20), T13 (≠ A22), G15 (≠ D24), I16 (≠ L25), F36 (≠ Y45), D63 (= D69), L64 (≠ V70), N90 (≠ S97), G92 (= G99), L113 (≠ I120), I140 (= I147), Y155 (= Y162), K159 (= K166), P185 (= P192), G186 (= G193), W187 (≠ Y194), V188 (≠ M195), T190 (= T197), L192 (= L199), V193 (≠ N200)

3w8dA Crystal structure of d-3-hydroxybutyrate dehydrogenase from alcaligenes faecalis complexed with NAD+ and an inhibitor methylmalonate
36% identity, 96% coverage: 11:257/257 of query aligns to 2:260/260 of 3w8dA

query
sites
3w8dA

L

L

T

K

G

G

K

K

A

A

I

V

V

V

V

T

G
|
G

G

S

A
x
T

G
x
S

D
x
G

L
x
I

G

G

I

L

A

A

M

M

V

A

E

T

A

E

I

L

S

A

E

K

A

A

G

G

A

A

Q

D

T

V

V

V

V

I

I

N

D

G

Y
x
F

-

G

-

Q

-

P

D

E

D

D

R

I

V

E

F

R

D

E

M

R

C

S

K

T

D

L

L

E

N

S

K

K

K

F

G

G

L

V

D

K

V

A

S

Y

P

Y

L

L

K

N

A
|
A

D
|
D

V
x
L

S

S

Q

D

I

A

E

Q

Q

A

I

T

K

R

E

D

S

F

Y

I

K

A

A

K

A

A

L

A

D

E

I

A

L

L

G

G

T

-

V

L

D

D

I

I

L

L

I

V

N

N

S
x
N

A
|
A

G
|
G

I

I

Q
|
Q

R

H

R

T

Y

A

P

P

S

I

E

E

F

F

P

P

E

V

E

D

E

K

W

W

S

N

K

A

V

I

I

I

S

A

I
x
L

N
|
N

L

L

D

S

A

A

T

V

F

F

Y

H

Y

G

C

T

K

A

Y

A

A

A

G

L

N

P

T

I

M

M

L

Q

K

K

N

Q

G

G

G

W

G

G

K

R

I

I

N

N

I

I

A

A

S
|
S

L

A

M
x
H

S

G

F

L

L

V

G

A

G

S

I

V

T

N

I
x
K

P

S

A

A

Y
|
Y

A

V

A

A

S

A

K
|
K

G

H

G

G

V

V

A

V

Q

G

L

L

T

T

K

K

A

V

L

T

S

A

N

L

D

E

W

N

A

A

A

G

K

K

G

G

I

I

C

T

V

C

N

N

G

A

I

I

A

C

P
|
P

G
|
G

Y
x
W

M
x
V

D

R

T
|
T

Q

P

L
|
L

N
x
V

T

E

A

K

L
x
Q

I

I

N

E

D

A

K
x
I

K

S

R

Q

T

Q

E

K

E

G

V

I

F

D

I

I

-

E

-

A

-

R

-

E

-

L

-

A

-

E

R

K

V

Q

P

P

M

S

K

L

R

Q

W

F

G

V

T

T

G

P

E

E

D

Q

L

L

K

G

G

G

L

A

T

A

V

V

F

F

L

L

A

S

S

S

P

A

A

A

S

A

D

D

Y

Q

I

M

T

T

G

G

T

T

I

T

I

L

P

S

V

L

D

D

G

G

Y
x
W

L

T

G

A

R

R

active site: G15 (≠ D24), N114 (= N121), S142 (= S149), Y155 (= Y162), K159 (= K166), I200 (≠ K207)
binding methylmalonic acid: Q94 (= Q101), S142 (= S149), H144 (≠ M151), K152 (≠ I159), Y155 (= Y162), W187 (≠ Y194), Q196 (≠ L203), W257 (≠ Y254)
binding nicotinamide-adenine-dinucleotide: G11 (= G20), T13 (≠ A22), S14 (≠ G23), G15 (≠ D24), I16 (≠ L25), F36 (≠ Y45), A62 (= A68), D63 (= D69), L64 (≠ V70), N90 (≠ S97), A91 (= A98), G92 (= G99), L113 (≠ I120), S142 (= S149), Y155 (= Y162), K159 (= K166), P185 (= P192), G186 (= G193), W187 (≠ Y194), V188 (≠ M195), T190 (= T197), L192 (= L199), V193 (≠ N200)

3vdrA Crystal structure of d-3-hydroxybutyrate dehydrogenase, prepared in the presence of the substrate d-3-hydroxybutyrate and NAD(+) (see paper)
36% identity, 96% coverage: 11:257/257 of query aligns to 2:260/260 of 3vdrA

query
sites
3vdrA

L

L

T

K

G

G

K

K

A

A

I

V

V

V

V

T

G
|
G

G

S

A
x
T

G

S

D
x
G

L
x
I

G

G

I

L

A

A

M

M

V

A

E

T

A

E

I

L

S

A

E

K

A

A

G

G

A

A

Q

D

T

V

V

V

V

I

I

N

D

G

Y
x
F

-

G

-

Q

-

P

D

E

D

D

R

I

V

E

F

R

D

E

M

R

C

S

K

T

D

L

L

E

N

S

K

K

K

F

G

G

L

V

D

K

V

A

S

Y

P

Y

L

L

K

N

A

A

D
|
D

V
x
L

S

S

Q

D

I

A

E

Q

Q

A

I

T

K

R

E

D

S

F

Y

I

K

A

A

K

A

A

L

A

D

E

I

A

L

L

G

G

T

-

V

L

D

D

I

I

L

L

I

V

N

N

S
x
N

A
|
A

G
|
G

I

I

Q
|
Q

R

H

R

T

Y

A

P

P

S

I

E

E

F

F

P

P

E

V

E

D

E

K

W

W

S

N

K

A

V

I

I

I

S

A

I
x
L

N
|
N

L

L

D

S

A

A

T

V

F

F

Y

H

Y

G

C

T

K

A

Y

A

A

A

G

L

N

P

T

I

M

M

L

Q

K

K

N

Q

G

G

G

W

G

G

K

R

I

I

N

N

I

I

A

A

S
|
S

L

A

M
x
H

S

G

F

L

L

V

G

A

G

S

I

V

T

N

I
x
K

P

S

A

A

Y
|
Y

A

V

A

A

S

A

K
|
K

G

H

G

G

V

V

A

V

Q

G

L

L

T

T

K

K

A

V

L

T

S

A

N

L

D

E

W

N

A

A

A

G

K

K

G

G

I

I

C

T

V

C

N

N

G

A

I

I

A

C

P

P

G
|
G

Y
x
W

M
x
V

D

R

T
|
T

Q

P

L
|
L

N
x
V

T

E

A

K

L
x
Q

I

I

N

E

D

A

K
x
I

K

S

R

Q

T

Q

E

K

E

G

V

I

F

D

I

I

-

E

-

A

-

R

-

E

-

L

-

A

-

E

R

K

V

Q

P

P

M

S

K

L

R

Q

W

F

G

V

T

T

G

P

E

E

D

Q

L

L

K

G

G

G

L

A

T

A

V

V

F

F

L

L

A

S

S

S

P

A

A

A

S

A

D

D

Y

Q

I

M

T

T

G

G

T

T

I

T

I

L

P

S

V

L

D

D

G

G

Y
x
W

L

T

G

A

R

R

active site: G15 (≠ D24), N114 (= N121), S142 (= S149), Y155 (= Y162), K159 (= K166), I200 (≠ K207)
binding (3R)-3-hydroxybutanoic acid: Q94 (= Q101), H144 (≠ M151), K152 (≠ I159), Y155 (= Y162), W187 (≠ Y194), Q196 (≠ L203), W257 (≠ Y254)
binding acetoacetic acid: Q94 (= Q101), H144 (≠ M151), K152 (≠ I159), Y155 (= Y162), W187 (≠ Y194), Q196 (≠ L203), W257 (≠ Y254)
binding nicotinamide-adenine-dinucleotide: G11 (= G20), T13 (≠ A22), I16 (≠ L25), F36 (≠ Y45), D63 (= D69), L64 (≠ V70), N90 (≠ S97), A91 (= A98), G92 (= G99), L113 (≠ I120), K159 (= K166), G186 (= G193), V188 (≠ M195), T190 (= T197), L192 (= L199), V193 (≠ N200)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G20), T13 (≠ A22), I16 (≠ L25), F36 (≠ Y45), D63 (= D69), L64 (≠ V70), N90 (≠ S97), A91 (= A98), G92 (= G99), L113 (≠ I120), S142 (= S149), Y155 (= Y162), K159 (= K166), G186 (= G193), V188 (≠ M195), T190 (= T197), L192 (= L199), V193 (≠ N200)

3vdqA Crystal structure of alcaligenes faecalis d-3-hydroxybutyrate dehydrogenase in complex with NAD(+) and acetate (see paper)
36% identity, 96% coverage: 11:257/257 of query aligns to 2:260/260 of 3vdqA

query
sites
3vdqA

L

L

T

K

G

G

K

K

A

A

I

V

V

V

V

T

G
|
G

G

S

A

T

G
x
S

D
x
G

L
x
I

G

G

I

L

A

A

M

M

V

A

E

T

A

E

I

L

S

A

E

K

A

A

G

G

A

A

Q

D

T

V

V

V

V

I

I

N

D

G

Y
x
F

-

G

-

Q

-

P

D

E

D

D

R

I

V

E

F

R

D

E

M

R

C

S

K

T

D

L

L

E

N

S

K

K

K

F

G

G

L

V

D

K

V

A

S

Y

P

Y

L

L

K

N

A

A

D
|
D

V
x
L

S

S

Q

D

I

A

E

Q

Q

A

I

T

K

R

E

D

S

F

Y

I

K

A

A

K

A

A

L

A

D

E

I

A

L

L

G

G

T

-

V

L

D

D

I

I

L

L

I

V

N

N

S
x
N

A
|
A

G
|
G

I

I

Q
|
Q

R

H

R

T

Y

A

P

P

S

I

E

E

F

F

P

P

E

V

E

D

E

K

W

W

S

N

K

A

V

I

I

I

S

A

I
x
L

N
|
N

L

L

D

S

A

A

T

V

F

F

Y

H

Y

G

C

T

K

A

Y

A

A

A

G

L

N

P

T

I

M

M

L

Q

K

K

N

Q

G

G

G

W

G

G

K

R

I

I

N

N

I
|
I

A

A

S
|
S

L

A

M
x
H

S

G

F

L

L

V

G

A

G

S

I

V

T

N

I
x
K

P

S

A

A

Y
|
Y

A

V

A

A

S

A

K
|
K

G

H

G

G

V

V

A

V

Q

G

L

L

T

T

K

K

A

V

L

T

S

A

N

L

D

E

W

N

A

A

A

G

K

K

G

G

I

I

C

T

V

C

N

N

G

A

I

I

A

C

P
|
P

G
|
G

Y
x
W

M
x
V

D

R

T
|
T

Q

P

L
|
L

N
x
V

T

E

A

K

L
x
Q

I

I

N

E

D

A

K
x
I

K

S

R

Q

T

Q

E

K

E

G

V

I

F

D

I

I

-

E

-

A

-

R

-

E

-

L

-

A

-

E

R

K

V

Q

P

P

M

S

K

L

R

Q

W

F

G

V

T

T

G

P

E

E

D

Q

L

L

K

G

G

G

L

A

T

A

V

V

F

F

L

L

A

S

S

S

P

A

A

A

S

A

D

D

Y

Q

I

M

T

T

G

G

T

T

I

T

I

L

P

S

V

L

D

D

G

G

Y

W

L

T

G

A

R

R

active site: G15 (≠ D24), N114 (= N121), S142 (= S149), Y155 (= Y162), K159 (= K166), I200 (≠ K207)
binding acetate ion: Q94 (= Q101), H144 (≠ M151), K152 (≠ I159), W187 (≠ Y194), L192 (= L199), Q196 (≠ L203)
binding nicotinamide-adenine-dinucleotide: G11 (= G20), S14 (≠ G23), I16 (≠ L25), F36 (≠ Y45), D63 (= D69), L64 (≠ V70), N90 (≠ S97), A91 (= A98), G92 (= G99), L113 (≠ I120), I140 (= I147), S142 (= S149), Y155 (= Y162), K159 (= K166), P185 (= P192), G186 (= G193), W187 (≠ Y194), V188 (≠ M195), T190 (= T197), L192 (= L199), V193 (≠ N200)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
36% identity, 97% coverage: 9:257/257 of query aligns to 3:255/255 of 5itvA

query
sites
5itvA

F

M

K

N

L

L

T

T

G

D

K

K

K

T

A

V

I

L

V

I

V

T

G
|
G

G

G

A

A

G
x
S

D
x
G

L
x
I

G

G

I

Y

A

A

M

A

V

V

E

Q

A

A

I

F

S

L

E

G

A

Q

G

Q

A

A

Q

N

T

V

V

V

I

A

D
|
D

Y
x
I

D

D

D

E

R

A

V

Q

F

G

D

E

-

A

M

M

C

V

K

R

D

K

L

E

N

N

K

N

K

D

G

R

L

L

D

H

V

F

S

-

P

-

L

V

K

Q

A
x
T

D

D

V
x
I

S

T

Q

D

I

E

E

A

Q

A

I

C

K

Q

E

H

S

A

Y

V

K

E

A

S

A

A

L

V

D

H

I

T

L

F

G

G

T

-

V

L

D

D

I

V

L

L

I

I

N

N

S
x
N

A

A

G
|
G

I

I

Q

E

R

I

R

V

Y

A

P

P

S

I

E

H

E

E

F

M

P

E

E

L

E

S

E

D

W

W

S

N

K

K

V

V

I

L

S

Q

I

V

N

N

L

L

D

T

A

G

T

M

F

F

Y

L

Y

M

C

S

K

K

Y

H

A

A

G

L

N

K

T

H

M

M

L

L

K

A

N

A

G

G

G

K

G

G

K

N

I

I

N

N

I
x
T

A

C

S
|
S

L

V

M

G

S

G

F

L

L

V

G

A

G

W

I

P

T

D

I

I

P

P

A

A

Y
|
Y

A

N

A

A

S

S

K
|
K

G

G

V

V

A

L

Q

Q

L

L

T

T

K

K

A

S

L

M

S

A

N

V

D

D

W

Y

A

A

A

K

K

H

G

Q

I

I

C

R

V

V

N

N

G

C

I

V

A

C

P
|
P

G
|
G

Y
x
I

M
x
I

D

D

T

T

Q

P

L

L

N

N

-

E

-

K

T

S

A

F

L

L

I

E

N

N

D

N

K

E

K

G

R

T

T

L

E

E

V

I

F

K

I

K

R

E

V

K

-

A

-

K

-

V

-

N

P

P

M

L

K

L

R

R

W

L

G

G

T

K

G

P

E

E

D

E

L

I

K

A

G

N

L

V

T

M

V

L

F

F

L

L

A

A

S

S

P

D

A

L

S

S

D

S

Y

Y

I

M

T

T

G

G

T

S

I

A

I

I

P

T

V

A

D

D

G

G

Y

Y

L

T

G

A

R

Q

active site: G18 (≠ D24), S141 (= S149), Y154 (= Y162), K158 (= K166)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G20), S17 (≠ G23), G18 (≠ D24), I19 (≠ L25), D38 (= D44), I39 (≠ Y45), T61 (≠ A68), I63 (≠ V70), N89 (≠ S97), G91 (= G99), T139 (≠ I147), S141 (= S149), Y154 (= Y162), K158 (= K166), P184 (= P192), G185 (= G193), I186 (≠ Y194), I187 (≠ M195)

5t5qC Crystal structure of short-chain dehydrogenase/reductase sdr:glucose/ribitol dehydrogenase from brucella melitensis
32% identity, 96% coverage: 8:253/257 of query aligns to 2:241/245 of 5t5qC

query
sites
5t5qC

Q

K

F

F

K

E

L

F

T

E

G

N

K

R

K

T

A

L

I

V

V

L

V

T

G

G

G

A

A
x
N

G
|
G

D
x
G

L
x
I

G

G

I

R

A

A

M

I

V

A

E

E

A

L

I

F

S

H

E

A

A

S

G

G

A

A

Q

N

T

L

V

V

V

L

I

T

D
|
D

Y
x
L

D

D

D

R

R

E

V

G

F

L

D

D

M

A

C

F

K

A

D

A

L

S

N

L

K

G

K

S

G

P

L

E

D

R

V

I

S

A

P

T

L

I

K

K

A

A

D
|
D

V
x
A

S

S

Q

S

I

A

E

D

Q

D

I

A

K

E

E

K

S

T

Y

V

K

A

A

L

A

A

L

M

D

E

I

R

L

F

G

G

T

-

V

I

D

D

I

F

L

L

I

V

N

P

S
|
S

A

A

G

G

I

I

Q

Y

R

Q

R

A

Y

K

P

P

S

F

E

A

E

E

F

M

P

S

E

D

E

A

E

D

W

W

S

H

K

R

V

T

I

I

S

S

I
|
I

N

N

L

L

D

D

A

G

T

V

F

F

Y

Y

Y

L

C

C

K

K

Y

R

A

A

G

L

N

P

T

A

M

L

L

K

K

E

N

D

G

-

G

S

K

S

I

I

I

V

N

T

I

L

A

A

S
|
S

L

L

M

A

S

A

F

Y

L

R

G

G

G

A

I

Y

T

V

I
x
N

P

A

A

H

Y
|
Y

A

G

A

A

S

T

K
|
K

G

G

G

A

V

M

A

V

Q

S

L

M

T

T

K

R

A

A

L

L

S

S

N

R

D

E

W

L

A

A

A

P

K

K

G

-

I

T

C

R

V

V

N

N

G

G

I

V

A

S

P
|
P

G

G

Y

I

M
x
I

D

E

T
|
T

Q

P

L
x
M

N

T

T

S

A

E

L

L

I

L

N

-

D

-

K

K

K

T

R

R

T

M

E

D

E

E

V

T

F

M

I

T

R

Q

V

T

P

P

M

L

K

K

R

R

W

L

G

G

T

K

G

P

E

S

D

E

L

I

K

A

G

S

L

V

T

I

V

A

F

F

L

L

A

C

S

S

P

P

A

A

S

A

D

S

Y

F

I

V

T

T

G

G

T

E

I

T

I

I

P

Q

V

V

D

N

G

G

active site: G18 (≠ D24), S140 (= S149), N150 (≠ I159), Y153 (= Y162), K157 (= K166)
binding nicotinamide-adenine-dinucleotide: N16 (≠ A22), G17 (= G23), G18 (≠ D24), I19 (≠ L25), D38 (= D44), L39 (≠ Y45), D63 (= D69), A64 (≠ V70), S90 (= S97), I113 (= I120), Y153 (= Y162), K157 (= K166), P182 (= P192), I185 (≠ M195), T187 (= T197), M189 (≠ L199)

3lqfA Crystal structure of the short-chain dehydrogenase galactitol- dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD and erythritol (see paper)
33% identity, 96% coverage: 9:254/257 of query aligns to 7:251/254 of 3lqfA

query
sites
3lqfA

F

F

K

R

L

L

T

D

G

G

K

A

K

C

A

A

I

A

V

V

V

T

G
|
G

G

A

A

G

G
x
S

D
x
G

L
x
I

G

G

I

L

A

E

M

I

V

C

E

R

A

A

I

F

S

A

E

A

A

S

G

G

A

A

Q

R

T

L

V

I

V

L

I

I

D
|
D

Y
x
R

D

E

D

A

R

A

V

A

F

L

D

D

M

-

C

-

K

R

D

A

L

A

N

Q

K

E

K

L

G

G

L

A

D

A

V

V

S

A

P

A

-

R

L

I

K

V

A

A

D
|
D

V
|
V

S

T

Q

-

I

-

E

D

Q

A

I

E

K

A

E

M

S

T

Y

A

K

A

A

A

L

E

D

A

I

E

L

A

G

V

G

A

T

P

V

V

D

S

I

I

L

L

I

V

N

N

S
|
S

A

A

G

G

I

I

Q

A

R

R

R

L

Y

H

P

D

S

A

E

L

E

E

F

T

P

D

E

D

E

A

E

T

W

W

S

R

K

Q

V

V

I

M

S

A

I

V

N

N

L

V

D

D

A

G

T

M

F

F

Y

W

Y

A

C

S

K

R

Y

A

A

F

G

G

N

R

T

A

M

M

L

V

K

A

N

R

G

G

G

A

G

G

K

A

I

I

I

V

N

N

I
x
L

A

G

S
|
S

L

M

M

S

S

G

F

T

L

I

G

-

I

V

T
x
N

I

R

P

P

-

Q

-

F

-

A

-

S

A

S

Y
|
Y

A

M

A

A

S

S

K
|
K

G

G

G

A

V

V

A

H

Q

Q

L

L

T

T

K

R

A

A

L

L

S

A

N

A

D

E

W

W

A

A

A

G

K

R

G

G

I

V

C

R

V

V

N

N

G

A

I

L

A

A

P
|
P

G

G

Y
|
Y

M
x
V

D

A

T
|
T

Q

E

L
x
M

N
x
T

T

L

A

K

L
x
M

I

R

N

E

D

R

K

P

K

E

R

L

T

F

E

E

E

T

V

W

F

L

I

D

R

M

V

T

P

P

M

M

K

G

R

R

W

C

G

G

T

E

G

P

E

S

D

E

L

I

K

A

G

A

L

A

T

A

V

L

F

F

L

L

A

A

S

S

P

P

A

A

S

A

D

S

Y

Y

I

V

T

T

G

G

T

A

I

I

I

L

P

A

V

V

D

D

G

G

Y

Y

active site: G22 (≠ D24), S144 (= S149), Y159 (= Y162), K163 (= K166)
binding meso-erythritol: N151 (≠ T158), Y159 (= Y162), Y191 (= Y194), T197 (≠ N200), M200 (≠ L203)
binding nicotinamide-adenine-dinucleotide: G18 (= G20), S21 (≠ G23), G22 (≠ D24), I23 (≠ L25), D42 (= D44), R43 (≠ Y45), D66 (= D69), V67 (= V70), S92 (= S97), L142 (≠ I147), S144 (= S149), K163 (= K166), P189 (= P192), V192 (≠ M195), T194 (= T197), M196 (≠ L199), T197 (≠ N200)

2wsbA Crystal structure of the short-chain dehydrogenase galactitol- dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD (see paper)
33% identity, 96% coverage: 9:254/257 of query aligns to 7:251/254 of 2wsbA

query
sites
2wsbA

F

F

K

R

L

L

T

D

G

G

K

A

K

C

A

A

I

A

V

V

V

T

G
|
G

G

A

A

G

G
x
S

D
x
G

L
x
I

G

G

I

L

A

E

M

I

V

C

E

R

A

A

I

F

S

A

E

A

A

S

G

G

A

A

Q

R

T

L

V

I

V

L

I

I

D
|
D

Y
x
R

D

E

D

A

R

A

V

A

F

L

D

D

M

-

C

-

K

R

D

A

L

A

N

Q

K

E

K

L

G

G

L

A

D

A

V

V

S

A

P

A

-

R

L

I

K

V

A

A

D
|
D

V
|
V

S

T

Q

-

I

-

E

D

Q

A

I

E

K

A

E

M

S

T

Y

A

K

A

A

A

L

E

D

A

I

E

L

A

G

V

G

A

T

P

V

V

D

S

I

I

L

L

I

V

N

N

S
|
S

A
|
A

G

G

I

I

Q

A

R

R

R

L

Y

H

P

D

S

A

E

L

E

E

F

T

P

D

E

D

E

A

E

T

W

W

S

R

K

Q

V

V

I

M

S

A

I

V

N

N

L

V

D

D

A

G

T

M

F

F

Y

W

Y

A

C

S

K

R

Y

A

A

F

G

G

N

R

T

A

M

M

L

V

K

A

N

R

G

G

G

A

G

G

K

A

I

I

I

V

N

N

I
x
L

A

G

S
|
S

L
x
M

M

S

S

G

F

T

L

I

G

-

I

V

T
x
N

I

R

P

P

-

Q

-

F

-

A

-

S

A

S

Y
|
Y

A

M

A

A

S

S

K
|
K

G

G

G

A

V

V

A

H

Q

Q

L

L

T

T

K

R

A

A

L

L

S

A

N

A

D

E

W

W

A

A

A

G

K

R

G

G

I

V

C

R

V

V

N

N

G

A

I

L

A

A

P
|
P

G

G

Y
|
Y

M
x
V

D

A

T
|
T

Q

E

L
x
M

N
x
T

T

L

A

K

L

M

I

R

N

E

D

R

K

P

K

E

R

L

T

F

E

E

E

T

V

W

F

L

I

D

R

M

V

T

P

P

M

M

K

G

R

R

W

C

G

G

T

E

G

P

E

S

D

E

L

I

K

A

G

A

L

A

T

A

V

L

F

F

L

L

A

A

S

S

P

P

A

A

S

A

D

S

Y

Y

I

V

T

T

G

G

T

A

I

I

I

L

P

A

V

V

D

D

G

G

Y

Y

active site: G22 (≠ D24), S144 (= S149), Y159 (= Y162), K163 (= K166)
binding nicotinamide-adenine-dinucleotide: G18 (= G20), S21 (≠ G23), G22 (≠ D24), I23 (≠ L25), D42 (= D44), R43 (≠ Y45), D66 (= D69), V67 (= V70), S92 (= S97), A93 (= A98), L142 (≠ I147), S144 (= S149), Y159 (= Y162), K163 (= K166), P189 (= P192), V192 (≠ M195), T194 (= T197), M196 (≠ L199), T197 (≠ N200)
binding n-propanol: S144 (= S149), M145 (≠ L150), N151 (≠ T158), N151 (≠ T158), Y159 (= Y162), Y159 (= Y162), Y191 (= Y194)

2wdzA Crystal structure of the short chain dehydrogenase galactitol- dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD+ and 1,2-pentandiol (see paper)
33% identity, 96% coverage: 9:254/257 of query aligns to 7:251/254 of 2wdzA

query
sites
2wdzA

F

F

K

R

L

L

T

D

G

G

K

A

K

C

A

A

I

A

V

V

V

T

G
|
G

G

A

A

G

G
x
S

D
x
G

L
x
I

G

G

I

L

A

E

M

I

V

C

E

R

A

A

I

F

S

A

E

A

A

S

G

G

A

A