SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing CCNA_03491 CCNA_03491 gluconate 5-dehydrogenase (Ga5DH)-related protein 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)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
38% identity, 97% coverage: 6:258/260 of query aligns to 2:250/252 of 1vl8B

query
sites
1vl8B

F

F

N

D

L

L

S

R

G

G

K

R

V

V

A

A

L

L

V

V

T

T

G
|
G

G

G

N

S

R
|
R

G
|
G

I
x
L

G

G

L

F

G

G

M

I

A

A

K

Q

A

G

M

L

A

A

Q

E

A

A

G

G

A

C

D

S

I

V

V

V

I

V

W

A

G
x
S

S
x
R

N

N

P

L

E

E

R

E

N

A

L

S

A

E

A

A

E

A

Q

Q

T

K

L

L

T

T

-

E

A

K

L

Y

G

G

V

V

R

E

V

T

K

M

A

A

Q

F

T

R

V
x
C

D
|
D

V
|
V

S

S

D

N

E

Y

A

E

Q

E

V

V

R

K

E

K

G

L

M

L

E

E

E

A

A

V

V

K

A

E

A

K

M

F

G

G

R

K

V

L

D

D

S

T

V

V

F

V

A

N

N
x
A

A
|
A

G
|
G

I
|
I

G

N

Y

R

G

R

S

H

P

P

S

A

F

-

V

E

D

E

M

F

S

P

T

L

E

D

V

E

Y

F

R

R

K

Q

V

V

L

I

A

E

V
|
V

N

N

L

L

D

F

G

G

V

T

F

Y

T

V

L

C

R

R

E

E

A

A

C

F

R

S

H

L

M

L

V

R

E

E

R

-

A

-

K

-

A

S

G

D

D

N

P

P

G

-

S

S

L

I

V

I

G

N

V
x
I

A

G

S
|
S

L

L

A

T

A

V

I

E

E

E

G

V

A

T

A

M

R

P

N

N

-
x
I

E

S

A

A

Y
|
Y

A

A

T

S

K
|
K

G

G

A

G

V

V

I

A

S

S

M

L

I

T

K

K

S

A

V

L

A

A

V

K

E

E

H

W

A

G

R

R

Y

Y

G

G

V

I

R

R

A

V

N

N

A

V

I

I

L

A

P
|
P

G
|
G

W

W

I
x
Y

A

R

T
|
T

D

K

M
|
M

T
|
T

A

E

G

A

A

V

Q

F

G

S

N

D

A

P

A

E

F

K

A

L

E

D

K

Y

V

M

I

L

P

K

R

R

V

I

P

P

A

L

R

G

R

R

W

T

G

G

E

V

P

P

E

E

D

D

F

L

G

K

G

G

M

V

A

A

V

V

Y

F

L

L

A

A

S

S

D

E

A

E

S

A

S

K

Y

Y

H

V

S

T

G

G

T

Q

T

I

L

I

V

F

I

V

D

D

G

G

Y

W

S

T

active site: G17 (= G21), S143 (= S152), I154 (vs. gap), Y157 (= Y165), K161 (= K169)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G17), R16 (= R20), G17 (= G21), L18 (≠ I22), S37 (≠ G41), R38 (≠ S42), C63 (≠ V66), D64 (= D67), V65 (= V68), A91 (≠ N94), A92 (= A95), G93 (= G96), I94 (= I97), V114 (= V118), I141 (≠ V150), S143 (= S152), Y157 (= Y165), K161 (= K169), P187 (= P195), G188 (= G196), Y190 (≠ I198), T192 (= T200), M194 (= M202), T195 (= T203)

4za2D Crystal structure of pectobacterium carotovorum 2-keto-3-deoxy-d- gluconate dehydrogenase complexed with NAD+ (see paper)
37% identity, 99% coverage: 1:257/260 of query aligns to 1:244/247 of 4za2D

query
sites
4za2D

M

M

A

I

Y

L

A

N

P

S

F

F

N

D

L

L

S

Q

G

G

K

K

V

V

A

A

L

L

V

I

T

T

G
|
G

G

C

N
x
D

R

T

G

G

I
x
L

G

G

L

Q

G

G

M

M

A

A

K

I

A

G

M

L

A

A

Q

Q

A

A

G

G

A

C

D

D

I

I

V

V

I

-

W

-

G

G

S

V

N

N

P
x
I

E

V

R

E

N

P

L

K

A

D

A

T

E

I

Q

E

T

K

L

V

T

T

A

A

L

L

G

G

V

R

R

R

V

F

K

L

A

S

Q

L

T

T

V

A

D
|
D

V
x
M

S

S

D

N

E

V

A

S

Q

G

V

H

R

A

E

E

G

L

M

V

E

E

E

K

A

A

V

V

A

A

A

E

M

F

G

G

R

H

V

V

D

D

S

I

V

L

F

V

A

N

N
|
N

A
|
A

G
|
G

I

I

G

-

Y

I

G

R

S

R

P

E

S

D

F

A

V

I

D

E

M

F

S

S

T

E

E

K

V

N

Y

W

R

D

K

D

V

V

L

M

A

N

V
x
L

N

N

L

I

D

K

G

S

V

V

F

F

T

M

L

S

R

Q

E

T

A

V

C

A

R

R

H

Q

M

F

V

I

E

K

R

Q

A

G

K

K

A

-

G

-

D

-

P

-

G

G

S

K

L

I

V

I

G

N

V
x
I

A

A

S
|
S

L

M

A

L

A

S

I

F

E

Q

G

G

A

G

A

I

R

R

N

V

E

P

A

S

Y
|
Y

A

T

A

A

T

S

K
|
K

G

S

A

A

V

V

I

M

S

G

M

V

I

T

K

R

S

L

V

M

A

A

V

N

E

E

H

W

A

A

R

K

Y

H

G

G

V

I

R

N

A

V

N

N

A

A

I

I

L

A

P

P

G
|
G

W

Y

I
x
M

A

A

T
|
T

D

N

M
x
N

T

T

A

-

G

-

A

-

Q

-

G

-

N

-

A

Q

A

E

F

R

A

S

E

K

K

E

V

I

I

L

P

D

R

R

V

I

P

P

A

A

R

G

R

R

W

W

G

G

E

L

P

P

E

Q

D

D

F

L

G

M

G

G

M

P

A

S

V

V

Y

F

L

L

A

A

S

S

D

S

A

A

S

S

S

D

Y

Y

H

I

S

N

G

G

T

Y

T

T

L

I

V

A

I

V

D

D

G

G

Y

W

binding nicotinamide-adenine-dinucleotide: G17 (= G17), D19 (≠ N19), L22 (≠ I22), I42 (≠ P44), D65 (= D67), M66 (≠ V68), N92 (= N94), A93 (= A95), G94 (= G96), L115 (≠ V118), I143 (≠ V150), S145 (= S152), Y158 (= Y165), K162 (= K169), G189 (= G196), M191 (≠ I198), T193 (= T200), N195 (≠ M202)

5u9pB Crystal structure of a gluconate 5-dehydrogenase from burkholderia cenocepacia j2315 in complex with NADP and tartrate
36% identity, 97% coverage: 6:258/260 of query aligns to 12:258/261 of 5u9pB

query
sites
5u9pB

F

F

N

R

L

L

S

D

G

G

K

R

V

R

A

A

L

L

V

I

T

T

G
|
G

G

S

N

G

R
|
R

G
|
G

I
|
I

G

G

L

L

G

T

M

L

A

A

K

R

A

G

M

L

A

A

Q

E

A

A

G

G

A

A

D

A

I

I

V

V

I

I

W

N

G

D

S
x
R

N

N

P

E

E

E

R

K

N

A

L

A

A

T

A

L

E

A

Q

R

T

R

L

F

T

R

A

D

L

E

G

G

V

F

R

A

V

A

K

D

A

H

Q

A

T

V

V

F

D
|
D

V
|
V

S

A

D

E

E

H

A

A

Q

Q

V

V

R

R

E

A

G

A

M

I

E

D

E

E

A

F

V

E

A

A

A

R

M

V

G

G

R

A

V

I

D

D

S

I

V

L

F

V

A

N

N
|
N

A
|
A

G

G

I

I

G

Q

Y

R

G

R

S

A

P

P

S

-

F

L

V

D

D

A

M

F

S

E

T

P

E

D

V

D

Y

W

R

H

K

A

V

L

L

M

A

R

V

V

N

N

L

L

D

D

G

G

V

V

F

F

F

N

T

V

L

A

R

Q

E

A

A

V

C

A

R

R

H

H

M

M

V

I

E

A

R

R

A

G

K

H

A

-

G

-

D

-

P

-

G

-

G

G

S

K

L

I

V

I

G

N

V
x
I

A

C

S
|
S

L

V

A

Q

A

S

I

E

E

L

G

A

A

R

A

P

R

T

N

I

E

A

A

P

Y
|
Y

A

A

T

T

K
|
K

G

G

A

A

V

V

I

R

S

M

M

L

I

T

K

K

S

G

V

M

A

C

V

A

E

D

H

W

A

A

R

R

Y

Y

G

G

V

I

R

Q

A

A

N

N

A

G

I

L

L

A

P
|
P

G

G

W

Y

I
x
F

A

E

T
|
T

D

E

M
x
L

T
x
N

A

R

G

A

A

L

Q

V

G

D

N

D

A

A

F

F

A

S

E

D

K

W

V

L

I

C

P

K

R

R

V

T

P

P

A

A

R

G

R

R

W

W

G

G

E

Q

P

V

E

D

D

E

F

L

G

C

G

G

M

A

A

A

V

I

Y

F

L

L

A

A

S

S

D

A

A

A

S

S

S

D

Y

F

H

V

S

N

G

G

T

Q

T

T

L

L

V

F

I

V

D

D

G

G

Y

L

S

T

active site: G27 (= G21), S152 (= S152), Y165 (= Y165), K169 (= K169)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G23 (= G17), R26 (= R20), G27 (= G21), I28 (= I22), R48 (≠ S42), D73 (= D67), V74 (= V68), N100 (= N94), A101 (= A95), I150 (≠ V150), Y165 (= Y165), K169 (= K169), P195 (= P195), F198 (≠ I198), T200 (= T200), L202 (≠ M202), N203 (≠ T203)

7do7A Crystal structure of azotobacter vinelandii l-rhamnose 1- dehydrogenase(NAD and l-rhamnose bound-form) (see paper)
37% identity, 97% coverage: 8:259/260 of query aligns to 3:253/256 of 7do7A

query
sites
7do7A

L

L

S

I

G

D

K

K

V

T

A

V

L

I

V

V

T

T

G
|
G

G

A

N

S

R
|
R

G
|
G

I
|
I

G

G

L

R

G

A

M

A

A

A

K

R

A

E

M

C

A

A

Q

R

A

Q

G

G

A

A

D

R

I

V

V

V

I

I

W

G

G

H

S
|
S

N

G

P

S

E

D

R

E

N

G

-

R

-

A

-

G

-

A

L

L

A

S

A

L

E

A

Q

E

T

E

L

I

T

A

A

A

L

F

G

G

V

G

R

T

V

A

K

I

A

A

Q

V

T

G

V

A

D
|
D

V
x
A

S

A

D

D

E

L

A

D

Q

S

V

G

R

E

E

K

G

L

M

V

E

A

A

A

V

V

A

E

A

A

M

F

G

G

R

S

V

V

D

D

S

V

V

L

F

V

A

N

N
|
N

A
|
A

G
|
G

I
|
I

G

-

Y

-

G

-

S

C

P

P

-
x
F

-

H

S

S

F

F

V

L

D

D

M

M

S

P

T

R

E

E

V

L

Y

Y

R

L

K

K

V

T

L

V

A

G

V

T

N

N

L

L

D

N

G

G

V

A

F

Y

F

F

T

T

L

V

R

Q

E

A

A

A

C

A

R

R

H

R

M

M

V

K

E

E

R

Q

A

G

K

R

A

-

G

-

D

-

P

-

G

G

S

A

L

I

V

I

G

A

V
|
V

A
x
S

S
|
S

L

I

A
x
S

A

A

I

L

E

V

G

G

A

G

A

A

R

M

N
x
Q

E

T

A

H

Y
|
Y

A

T

A

P

T

T

K
|
K

G

A

A

G

V

L

I

L

S

S

M

L

I

M

K

Q

S

S

V

C

A

A

V

I

E

A

H

L

A

G

R

P

Y

Y

G

G

V

I

R

R

A

C

N

N

A

A

I

V

L

L

P
|
P

G
|
G

W

T

I
|
I

A

A

T
|
T

D

D

M
x
I

T
x
N

A

K

G

E

A

D

Q

L

G

S

N

D

A

L

A

E

F

K

A

R

E

E

K

R

V

M

I

T

P

S

R

R

V

V

P

P

A

L

R

G

R

R

W

L

G

G

E

E

P

P

E

D

D

D

F

L

G

A

G

G

M

P

A

I

V

V

Y

F

L

L

A

A

S

S

D
|
D

A
x
M

S

A

S
x
R

Y

Y

H

V

S

T

G

G

T

A

T

S

L

L

V

L

I

V

D

D

G

G

Y

L

S

F

I

V

active site: G16 (= G21), S146 (= S152), Y159 (= Y165)
binding nicotinamide-adenine-dinucleotide: G12 (= G17), R15 (= R20), G16 (= G21), I17 (= I22), S37 (= S42), D66 (= D67), A67 (≠ V68), N93 (= N94), A94 (= A95), G95 (= G96), I96 (= I97), V144 (= V150), S145 (≠ A151), S146 (= S152), Y159 (= Y165), K163 (= K169), P189 (= P195), G190 (= G196), I192 (= I198), T194 (= T200), I196 (≠ M202)
binding beta-L-rhamnopyranose: F99 (vs. gap), S146 (= S152), S148 (≠ A154), Q156 (≠ N162), Y159 (= Y165), N197 (≠ T203), D235 (= D241), M236 (≠ A242), R238 (≠ S244)

7b81A Crystal structure of azotobacter vinelandii l-rhamnose 1-dehydrogenase (NAD bound-form) (see paper)
37% identity, 97% coverage: 8:259/260 of query aligns to 3:253/256 of 7b81A

query
sites
7b81A

L

L

S

I

G

D

K

K

V

T

A

V

L

I

V

V

T

T

G
|
G

G

A

N
x
S

R
|
R

G
|
G

I
|
I

G

G

L

R

G

A

M

A

A

A

K

R

A

E

M

C

A

A

Q

R

A

Q

G

G

A

A

D

R

I

V

V

V

I

I

W

G

G

H

S

S

N

G

P

S

E

D

R

E

N

G

-

R

-

A

-

G

-

A

L

L

A

S

A

L

E

A

Q

E

T

E

L

I

T

A

A

A

L

F

G

G

V

G

R

T

V

A

K

I

A

A

Q

V

T

G

V

A

D
|
D

V
x
A

S

A

D

D

E

L

A

D

Q

S

V

G

R

E

E

K

G

L

M

V

E

A

A

A

V

V

A

E

A

A

M

F

G

G

R

S

V

V

D

D

S

V

V

L

F

V

A

N

N
|
N

A
|
A

G
|
G

I
|
I

G

-

Y

-

G

-

S

C

P

P

-

F

-

H

S

S

F

F

V

L

D

D

M

M

S

P

T

R

E

E

V

L

Y

Y

R

L

K

K

V

T

L

V

A

G

V
x
T

N

N

L

L

D

N

G

G

V

A

F

Y

F

F

T

T

L

V

R

Q

E

A

A

A

C

A

R

R

H

R

M

M

V

K

E

E

R

Q

A

G

K

R

A

-

G

-

D

-

P

-

G

G

S

A

L

I

V

I

G

A

V
|
V

A

S

S
|
S

L

I

A

S

A

A

I

L

E

V

G

G

A

G

A

A

R

M

N

Q

E

T

A

H

Y
|
Y

A

T

A

P

T

T

K
|
K

G

A

A

G

V

L

I

L

S

S

M

L

I

M

K

Q

S

S

V

C

A

A

V

I

E

A

H

L

A

G

R

P

Y

Y

G

G

V

I

R

R

A

C

N

N

A

A

I

V

L

L

P
|
P

G
|
G

W

T

I
|
I

A

A

T
|
T

D

D

M
x
I

T

N

A

K

G

E

A

D

Q

L

G

S

N

D

A

L

A

E

F

K

A

R

E

E

K

R

V

M

I

T

P

S

R

R

V

V

P

P

A

L

R

G

R

R

W

L

G

G

E

E

P

P

E

D

D

D

F

L

G

A

G

G

M

P

A

I

V

V

Y

F

L

L

A

A

S

S

D

D

A

M

S

A

S

R

Y

Y

H

V

S

T

G

G

T

A

T

S

L

L

V

L

I

V

D

D

G

G

Y

L

S

F

I

V

active site: G16 (= G21), S146 (= S152), Y159 (= Y165)
binding nicotinamide-adenine-dinucleotide: G12 (= G17), S14 (≠ N19), R15 (= R20), I17 (= I22), D66 (= D67), A67 (≠ V68), N93 (= N94), A94 (= A95), G95 (= G96), I96 (= I97), T116 (≠ V118), V144 (= V150), S146 (= S152), Y159 (= Y165), K163 (= K169), P189 (= P195), G190 (= G196), I192 (= I198), T194 (= T200), I196 (≠ M202)

7do6A Crystal structure of azotobacter vinelandii l-rhamnose 1- dehydrogenase(NADP bound-form) (see paper)
36% identity, 97% coverage: 8:259/260 of query aligns to 3:244/247 of 7do6A

query
sites
7do6A

L

L

S

I

G

D

K

K

V

T

A

V

L

I

V

V

T

T

G
|
G

G

A

N
x
S

R
|
R

G
|
G

I
|
I

G

G

L

R

G

A

M

A

A

A

K

R

A

E

M

C

A

A

Q

R

A

Q

G

G

A

A

D

R

I

V

V

V

I

I

W

G

G
x
H

S
|
S

N

G

P

S

E

D

R

E

N
x
G

-

R

-

A

-

G

-

A

L

L

A

S

A

L

E

A

Q

E

T

E

L

I

T

A

A

A

L

F

G

G

V

G

R

T

V

A

K

I

A

A

Q

V

T

G

V

A

D
|
D

V
x
A

S

A

D

D

E

L

A

D

Q

S

V

G

R

E

E

K

G

L

M

V

E

A

A

A

V

V

A

E

A

A

M

F

G

G

R

S

V

V

D

D

S

V

V

L

F

V

A

N

N
|
N

A
|
A

G
|
G

I
|
I

G

-

Y

-

G

-

S

C

P

P

-

F

-

H

S

S

F

F

V

L

D

D

M

M

S

P

T

R

E

E

V

L

Y

Y

R

L

K

K

V

T

L

V

A

G

V
x
T

N

N

L

L

D

N

G

G

V

A

F

Y

F

F

T

T

L

V

R

Q

E

A

A

A

C

A

R

R

H

R

M

M

V

K

E

E

R

Q

A

G

K

R

A

-

G

-

D

-

P

-

G

G

S

A

L

I

V

I

G

A

V

V

A

S

S
|
S

L

I

A

S

A

A

I

L

E

V

G

G

A

G

A

A

R

M

N

Q

E

T

A

H

Y
|
Y

A

T

A

P

T

T

K
|
K

G

A

A

G

V

L

I

L

S

S

M

L

I

M

K

Q

S

S

V

C

A

A

V

I

E

A

H

L

A

G

R

P

Y

Y

G

G

V

I

R

R

A

C

N

N

A

A

I

V

L

L

P

P

G

G

W

T

I
|
I

A

A

T

-

D

D

M

L

T

E

A

K

G

-

A

-

Q

-

G

-

N

-

A

-

F

-

A

R

E

E

K

R

V

M

I

T

P

S

R

R

V

V

P

P

A

L

R

G

R

R

W

L

G

G

E

E

P

P

E

D

D

D

F

L

G

A

G

G

M

P

A

I

V

V

Y

F

L

L

A

A

S

S

D

D

A

M

S

A

S

R

Y

Y

H

V

S

T

G

G

T

A

T

S

L

L

V

L

I

V

D

D

G

G

Y

L

S

F

I

V

active site: G16 (= G21), S146 (= S152), Y159 (= Y165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G17), S14 (≠ N19), R15 (= R20), G16 (= G21), I17 (= I22), H36 (≠ G41), S37 (= S42), G42 (≠ N47), D66 (= D67), A67 (≠ V68), N93 (= N94), A94 (= A95), G95 (= G96), I96 (= I97), T116 (≠ V118), S146 (= S152), Y159 (= Y165), K163 (= K169), I192 (= I198)

7ejhA Crystal structure of kred mutant-f147l/l153q/y190p/l199a/m205f/m206f and 2-hydroxyisoindoline-1,3-dione complex
39% identity, 97% coverage: 8:258/260 of query aligns to 6:251/253 of 7ejhA

query
sites
7ejhA

L

L

S

K

G

G

K

K

V

V

A

A

L

I

V

V

T

T

G
|
G

G

G

N
x
T

R

L

G

G

I
|
I

G

G

L

L

G

A

M

I

A

A

K

D

A

K

M

F

A

V

Q

E

A

E

G

G

A

A

D

K

I

V

V

V

I

I

W

T

G

G

S
x
R

N
x
H

P

A

E

D

R

V

N

G

L

E

A

K

A

A

E

A

Q

K

T

S

L

I

T

G

A

G

L

T

G

D

V

V

R

-

V

I

K

R

A

F

Q

V

T

Q

V

H

D
|
D

V
x
A

S

S

D

D

E

E

A

A

Q

G

V

W

R

T

E

K

G

L

M

F

E

D

E

T

A

T

V

E

A

E

A

A

M

F

G

G

R

P

V

V

D

T

S

T

V

V

F

V

A

N

N
|
N

A
|
A

G

G

I

I

G

A

Y

V

G

-

S

S

P

K

S

S

F

V

V

E

D

D

M

T

S

T

T

T

E

E

V

E

Y

W

R

R

K

K

V

L

L

L

A

S

V
|
V

N

N

L

L

D

D

G

G

V

V

F

F

T

-

L

-

R

-

E

-

A

G

C

T

R

R

H

L

M

G

V

I

E

Q

R

R

A

M

K

K

A

N

G

K

D

G

P

L

G

G

G

A

S

S

L

I

V

I

G

N

V
x
M

A

S

S
|
S

L
x
I

A
x
E

A

G

I

L

E

V

G

G

A

D

A

P

R

T

N

Q

E

G

A

A

Y
|
Y

A

N

A

A

T

S

K
|
K

G

G

A

A

V

V

I

R

S

I

M

M

I

S

K

K

S

S

V

A

A

A

V

L

E

D

H

C

A

A

-

L

-

K

R

D

Y

Y

G

D

V

V

R

R

A

V

N

N

A

T

I

V

L

H

P
|
P

G
|
G

W
x
P

I
|
I

A

K

T
|
T

D
x
P

M
x
L

T
x
V

A

D

G

D

A

A

Q

E

G

G

N

A

A

E

F

F

A
x
F

E

S

K

Q

V

R

I

T

P

-

R

K

V

T

P

P

A

M

R

G

R

H

W

I

G

G

E

E

P

P

E

N

D

D

F

I

G

A

G

W

M

I

A

C

V

V

Y

Y

L

L

A

A

S

S

D

D

A

E

S

S

S

K

Y

F

H

A

S

T

G

G

T

A

T

E

L

F

V

V

I

V

D

D

G

G

Y

Y

S

T

binding 2-oxidanylisoindole-1,3-dione: S144 (= S152), I145 (≠ L153), E146 (≠ A154), Y157 (= Y165), V197 (≠ T203), F207 (≠ A213)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G17), T17 (≠ N19), I20 (= I22), R40 (≠ S42), H41 (≠ N43), D64 (= D67), A65 (≠ V68), N91 (= N94), A92 (= A95), V114 (= V118), M142 (≠ V150), S144 (= S152), Y157 (= Y165), K161 (= K169), P189 (= P195), G190 (= G196), P191 (≠ W197), I192 (= I198), T194 (= T200), P195 (≠ D201), L196 (≠ M202)

7ejiB Crystal structure of kred f147l/l153q/y190p/l199a/m205f/m206f variant and methyl methacrylate complex
39% identity, 97% coverage: 8:258/260 of query aligns to 4:249/251 of 7ejiB

query
sites
7ejiB

L

L

S

K

G

G

K

K

V

V

A

A

L

I

V

V

T

T

G
|
G

G

G

N
x
T

R
x
L

G
|
G

I
|
I

G

G

L

L

G

A

M

I

A

A

K

D

A

K

M

F

A

V

Q

E

A

E

G

G

A

A

D

K

I

V

V

V

I

I

W

T

G

G

S
x
R

N
x
H

P

A

E

D

R

V

N

G

L

E

A

K

A

A

E

A

Q

K

T

S

L

I

T

G

A

G

L

T

G

D

V

V

R

-

V

I

K

R

A

F

Q

V

T

Q

V

H

D
|
D

V
x
A

S

S

D

D

E

E

A

A

Q

G

V

W

R

T

E

K

G

L

M

F

E

D

E

T

A

T

V

E

A

E

A

A

M

F

G

G

R

P

V

V

D

T

S

T

V

V

F

V

A

N

N
|
N

A
|
A

G

G

I

I

G

A

Y

V

G

-

S

S

P

K

S

S

F

V

V

E

D

D

M

T

S

T

T

T

E

E

V

E

Y

W

R

R

K

K

V

L

L

L

A

S

V
|
V

N

N

L

L

D

D

G

G

V

V

F

F

T

-

L

-

R

-

E

-

A

G

C

T

R

R

H

L

M

G

V

I

E

Q

R

R

A

M

K

K

A

N

G

K

D

G

P

L

G

G

G

A

S

S

L

I

V

I

G

N

V
x
M

A

S

S
|
S

L
x
I

A

E

A

G

I

L

E

V

G

G

A

D

A

P

R

T

N

Q

E

G

A

A

Y
|
Y

A

N

A

A

T

S

K
|
K

G

G

A

A

V

V

I

R

S

I

M

M

I

S

K

K

S

S

V

A

A

A

V

L

E

D

H

C

A

A

-

L

-

K

R

D

Y

Y

G

D

V

V

R

R

A

V

N

N

A

T

I

V

L

H

P
|
P

G

G

W
x
P

I
|
I

A

K

T
|
T

D
x
P

M
x
L

T

V

A

D

G

D

A

A

Q

E

G

G

N

A

A

E

F

F

A
x
F

E

S

K

Q

V

R

I

T

P

-

R

K

V

T

P

P

A

M

R

G

R

H

W

I

G

G

E

E

P

P

E

N

D

D

F

I

G

A

G

W

M

I

A

C

V

V

Y

Y

L

L

A

A

S

S

D

D

A

E

S

S

S

K

Y

F

H

A

S

T

G

G

T

A

T

E

L

F

V

V

I

V

D

D

G

G

Y

Y

S

T

binding methyl 2-methylprop-2-enoate: S142 (= S152), I143 (≠ L153), Y155 (= Y165), F205 (≠ A213)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G17), T15 (≠ N19), L16 (≠ R20), G17 (= G21), I18 (= I22), R38 (≠ S42), H39 (≠ N43), D62 (= D67), A63 (≠ V68), N89 (= N94), A90 (= A95), V112 (= V118), M140 (≠ V150), S142 (= S152), Y155 (= Y165), K159 (= K169), P187 (= P195), P189 (≠ W197), I190 (= I198), T192 (= T200), P193 (≠ D201), L194 (≠ M202)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
35% identity, 97% coverage: 8:258/260 of query aligns to 8:251/258 of 4wecA

query
sites
4wecA

L

L

S

A

G

G

K

K

V

V

A

A

L

V

V

I

T

T

G
|
G

G

G

N
x
A

R
x
S

G
|
G

I
|
I

G

G

L

L

G

A

M

T

A

G

K

R

A

R

M

L

A

R

Q

A

A

E

G

G

A

A

D

T

I

V

V

V

I

V

W

G

G
x
D

S
x
I

N

D

P

P

E

T

R

T

N

G

L

K

A

A

E

A

Q

D

T

E

L

L

T

E

A

G

L

L

G

F

V

V

R

-

V

-

K

-

A

-

Q

-

T

P

V
|
V

D
|
D

V
|
V

S

S

D

E

E

Q

A

E

Q

A

V

V

R

D

E

N

G

L

M

F

E

D

E

T

A

A

V

A

A

S

A

T

M

F

G

G

R

R

V

V

D

D

S

I

V

A

F

F

A

N

N
|
N

A

A

G

G

I

I

G

S

Y

P

G

P

S

E

P

D

S

D

F

L

V

I

D

E

M

N

S

T

T

D

-

L

E

P

V

A

Y

W

R

Q

K

R

V

V

L

Q

A

D

V

I

N

N

L

L

D

K

G

S

V

V

F

Y

F

L

T

S

L

C

R

R

E

A

A

A

C

L

R

R

H

H

M

M

V

V

E

P

R

A

A

G

K

K

A

-

G

-

D

-

P

-

G

-

G

G

S

S

L

I

V

I

G

N

V
x
T

A

A

S
|
S

L

F

A

V

A

A

I

V

E

M

G

G

A

S

A

A

R

T

N

S

E
x
Q

-

I

A

S

Y
|
Y

A

T

A

A

T

S

K
|
K

G

G

A

G

V

V

I

L

S

A

M

M

I

S

K

R

S

E

V

L

A

G

V

V

E

Q

H

Y

A

A

R

R

Y

Q

G

G

V

I

R

R

A

V

N

N

A

A

I

L

L

C

P
|
P

G

G

W
x
P

I
x
V

A

N

T

T

D

P

M

L

T

L

A

Q

G

E

-

L

-

F

A

A

Q

K

G

D

N

P

A

E

A

R

F

A

A

A

E

R

K

R

V

L

I

V

P

-

R

H

V

I

P

P

A

L

R

G

R

R

W

F

G

A

E

E

P

P

E

E

D

E

F

L

G

A

M

A

A

V

V

A

Y

F

L

L

A

A

S

S

D

D

A

D

S

A

S

S

Y

F

H

I

S

T

G

G

T

S

T

T

L

F

V

L

I

V

D

D

G

G

Y

I

S

S

active site: G21 (= G21), S143 (= S152), Q154 (≠ E163), Y157 (= Y165), K161 (= K169)
binding nicotinamide-adenine-dinucleotide: G17 (= G17), A19 (≠ N19), S20 (≠ R20), G21 (= G21), I22 (= I22), D41 (≠ G41), I42 (≠ S42), V61 (= V66), D62 (= D67), V63 (= V68), N89 (= N94), T141 (≠ V150), Y157 (= Y165), K161 (= K169), P187 (= P195), P189 (≠ W197), V190 (≠ I198)

Q6WVP7 NADP-dependent (R)-specific alcohol dehydrogenase; (R)-specific ADH; Ketoreductase; KRED; EC 1.1.1.- from Lentilactobacillus kefiri (Lactobacillus kefiri) (see paper)
38% identity, 97% coverage: 8:258/260 of query aligns to 5:250/252 of Q6WVP7

query
sites
Q6WVP7

L

L

S

K

G

G

K

K

V

V

A

A

L

I

V

V

T

T

G

G

N
x
T

R
x
L

G
|
G

I
|
I

G

G

L

L

G

A

M

I

A

A

K

D

A

K

M

F

A

V

Q

E

A

E

G

G

A

A

D

K

I

V

V

V

I

I

W

T

G

G

S
x
R

N
x
H

P

A

E

D

R

V

N

G

L

E

A

K

A

A

E

A

Q

K

T

S

L

I

T

G

A

G

L

T

G

D

V

V

R

-

V

I

K

R

A

F

Q

V

T

Q

V

H

D
|
D

V
x
A

S

S

D

D

E

E

A

A

Q

G

V

W

R

T

E

K

G

L

M

F

E

D

E

T

A

T

V

E

A

E

A

A

M

F

G

G

R

P

V

V

D

T

S

T

V

V

F

V

A

N

N
|
N

A

A

G

G

I

I

G

A

Y

V

G

-

S

S

P

K

S

S

F

V

V

E

D

D

M

T

S

T

T

T

E

E

V

E

Y

W

R

R

K

K

V

L

L

L

A

S

V

V

N

N

L

L

D

D

G

G

V

V

F

F

T

-

L

-

R

-

E

-

A

G

C

T

R

R

H

L

M

G

V

I

E

Q

R

R

A

M

K

K

A

N

G

K

D

G

P

L

G

G

G

A

S

S

L

I

V

I

G

N

V

M

A

S

S

S

L

I

A

E

A

G

I

F

E

V

G

G

A

D

A

P

R

T

N

L

E

G

A

A

Y
|
Y

A

N

A

A

T

S

K
|
K

G

G

A

A

V

V

I

R

S

I

M

M

I

S

K

K

S

S

V

A

A

A

V

L

E

D

H

C

A

A

-

L

-

K

R

D

Y

Y

G

D

V

V

R

R

A

V

N

N

A

T

I

V

L

H

P

P

G

G

W

Y

I
|
I

A
x
K

T
|
T

D
x
P

M
x
L

T

V

A

D

G

D

A

L

Q

E

G

G

N

-

A

-

F

-

A

A

E

E

K

E

V

M

I

M

P

S

-

Q

-

R

-

T

R

K

V

T

P

P

A

M

R

G

R

H

W

I

G

G

E

E

P

P

E

N

D

D

F

I

G

A

G

W

M

I

A

C

V

V

Y

Y

L

L

A

A

S

S

D

D

A

E

S

S

S

K

Y

F

H

A

S

T

G

G

T

A

T

E

L

F

V

V

I

V

D

D

G

G

Y

Y

S

T

TLGI 16:19 (≠ NRGI 19:22) binding
RH 39:40 (≠ SN 42:43) binding
DA 63:64 (≠ DV 67:68) binding
N90 (= N94) binding
Y156 (= Y165) binding
K160 (= K169) binding
IKTPL 191:195 (≠ IATDM 198:202) binding

Sites not aligning to the query:

252 binding

3o03A Quaternary complex structure of gluconate 5-dehydrogenase from streptococcus suis type 2 (see paper)
35% identity, 97% coverage: 6:256/260 of query aligns to 7:245/254 of 3o03A

query
sites
3o03A

F

F

N

S

L

L

S

K

G

G

K

K

V

I

A

A

L

L

V

V

T

T

G
|
G

G

A

N

S

R
x
Y

G
|
G

I
|
I

G

G

L

F

G

A

M

I

A

A

K

S

A

A

M

Y

A

A

Q

K

A

A

G

G

A

A

D

T

I

I

V

V

I

F

W

N

G
x
D

S
x
I

N

N

P

Q

E

E

-
x
L

-

V

-

D

R

R

N

G

L

M

A

A

E

Y

Q

K

T

-

L

-

T

-

A

A

L

A

G

G

V

I

R

N

V

A

K

H

A

G

Q

Y

T

V

V

C

D
|
D

V
|
V

S

T

D

D

E

E

A

D

Q

G

V

I

R

Q

E

A

G

M

M

V

E

A

E

Q

A

I

V

E

A

S

A

E

M

V

G

G

R

I

V

I

D

D

S

I

V

L

F

V

A

N

N
|
N

A
|
A

G
|
G

I

I

G
x
I

Y

R

G
x
R

S

V

P

P

S

-

F

M

V

I

D

E

M

M

S

T

T

A

E

A

V

Q

Y

F

R

R

K

Q

V

V

L

I

A

D

V

I

N

D

L

L

D

N

G

A

V

P

F

F

F

I

T

V

L

S

R

K

E

A

A

V

C

I

R

P

H

S

M

M

V

I

E

K

R

K

A

G

K

H

A

-

G

-

D

-

P

-

G

-

G

G

S

K

L

I

V

I

G

N

V
x
I

A

C

S
|
S

L
x
M

A
x
M

A

S

I

E

E

L

G

G

A
x
R

A

E

R

T

N
x
V

E

S

A

A

Y
|
Y

A

A

T

A

K
|
K

G

G

A

G

V

L

I

K

S

M

M

L

I

T

K

K

S

N

V

I

A

A

V

S

E

E

H

Y

A

G

R

E

Y

A

G

N

V

I

R

Q

A

C

N

N

A

G

I

I

L

G

P
|
P

G

G

W

Y

I

I

A

A

T

T

D

P

M

Q

T

T

A

-

G

-

A

-

Q

-

G

-

N

-

A

H

A

P

F

F

A

D

E

Q

K

F

V

I

I

I

P

A

R

K

V

T

P

P

A

A

R

A

R

R

W

W

G

G

E

E

P

A

E

E

D

D

F

L

G

M

G

G

M

P

A

A

V

V

Y

F

L

L

A

A

S

S

D

D

A

A

S

S

S

N

Y

F

H

V

S

N

G

G

T

H

T

I

L

L

V

Y

I

V

D

D

G

G

active site: G22 (= G21), S147 (= S152), V157 (≠ N162), Y160 (= Y165), K164 (= K169)
binding calcium ion: S147 (= S152), M148 (≠ L153), P190 (= P195)
binding D-gluconic acid: I99 (≠ G98), R101 (≠ G100), S147 (= S152), M149 (≠ A154), R154 (≠ A159), Y160 (= Y165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G17), Y21 (≠ R20), G22 (= G21), I23 (= I22), D42 (≠ G41), I43 (≠ S42), L47 (vs. gap), D68 (= D67), V69 (= V68), N95 (= N94), A96 (= A95), G97 (= G96), I145 (≠ V150), Y160 (= Y165), K164 (= K169), P190 (= P195)

2ztlA Closed conformation of d-3-hydroxybutyrate dehydrogenase complexed with NAD+ and l-3-hydroxybutyrate (see paper)
36% identity, 97% coverage: 8:258/260 of query aligns to 2:258/260 of 2ztlA

query
sites
2ztlA

L

L

S

K

G

G

K

K

V

V

A

A

L

V

V

V

T

T

G
|
G

G

S

N

T

R

S

G
|
G

I
|
I

G

G

L

L

G

G

M

I

A

A

K

T

A

A

M

L

A

A

Q

A

A

Q

G

G

A

A

D

D

I

I

V

V

I

L

W

N

G

G

-
x
F

-

G

-

D

-

A

-

E

-

I

S

E

N

K

P

V

E

R

R

A

N

G

L

L

A

A

E

Q

Q

H

T

-

L

-

T

-

A

-

L

-

G

G

V

V

R

K

V

V

K

L

A

Y

Q

D

T

G

V

A

D

D

V
x
L

S

S

D

K

E

G

A

E

Q

A

V

V

R

R

E

G

G

L

M

V

E

D

E

N

A

A

V

V

A

R

A

Q

M

M

G

G

R

R

V

I

D

D

S

I

V

L

F

V

A

N

N
|
N

A
|
A

G
|
G

I

I

G
x
Q

Y

H

G

-

S

T

P

A

S

L

F

I

V

E

D

D

M

F

S

P

T

T

E

E

V

K

Y

W

R

D

K

A

V

I

L

L

A

A

V
x
L

N
|
N

L

L

D

S

G

A

V

V

F

F

F

H

T

G

L

T

R

A

E

A

A

A

C

L

R

P

H

H

M

M

V

K

E

K

R

Q

A

G

K

F

A

-

G

-

D

-

P

-

G

-

G

G

S

R

L

I

V

I

G

N

V

I

A

A

S
|
S

L

A

A
x
H

A

G

I

L

E

V

G

A

A

S

A

A

R

N

N
x
K

E

S

A

A

Y
|
Y

A

V

A

A

T

A

K
|
K

G

H

A

G

V

V

I

V

S

G

M

F

I

T

K

K

S

V

V

T

A

A

V

L

E

E

H

T

A

A

R

G

Y

Q

G

G

V

I

R

T

A

A

N

N

A

A

I

I

L

C

P
|
P

G

G

W
|
W

I
x
V

A

R

T
|
T

D

P

M

L

T
x
V

A

E

-

K

-
x
Q

-

I

-

S

-

A

-
x
L

-

A

-

E

-

K

-

N

G

G

A

V

Q

D

G

Q

N

E

A

T

A

A

F

A

A

R

E

E

K

L

V

L

I

S

P

E

R

K

V

Q

P

P

A

S

R

L

R

Q

W

F

G

V

E

T

P

P

E

E

D

Q

F

L

G

G

M

T

A

A

V

V

Y

F

L

L

A

A

S

S

D

D

A

A

S

A

Y

Q

H

I

S

T

G

G

T

T

L

V

V

S

I

V

D

D

G

G

Y

W

S

T

active site: G15 (= G21), N114 (= N119), S142 (= S152), Y155 (= Y165), K159 (= K169), L200 (vs. gap)
binding (3s)-3-hydroxybutanoic acid: Q94 (≠ G98), S142 (= S152), H144 (≠ A154), K152 (≠ N162), Y155 (= Y165), Q196 (vs. gap)
binding nicotinamide-adenine-dinucleotide: G11 (= G17), G15 (= G21), I16 (= I22), F36 (vs. gap), L64 (≠ V68), N90 (= N94), A91 (= A95), G92 (= G96), L113 (≠ V118), Y155 (= Y165), K159 (= K169), P185 (= P195), W187 (= W197), V188 (≠ I198), T190 (= T200), V193 (≠ T203)

1wmbA Crystal structure of NAD dependent d-3-hydroxybutylate dehydrogenase (see paper)
36% identity, 97% coverage: 8:258/260 of query aligns to 2:258/260 of 1wmbA

query
sites
1wmbA

L

L

S

K

G

G

K

K

V

V

A

A

L

V

V

V

T

T

G

G

G

S

N

T

R

S

G
|
G

I

I

G

G

L

L

G

G

M

I

A

A

K

T

A

A

M

L

A

A

Q

A

A

Q

G

G

A

A

D

D

I

I

V

V

I

L

W

N

G

G

-

F

-

G

-

D

-

A

-

E

-

I

S

E

N

K

P

V

E

R

R

A

N

G

L

L

A

A

E

Q

Q

H

T

-

L

-

T

-

A

-

L

-

G

G

V

V

R

K

V

V

K

L

A

Y

Q

D

T

G

V

A

D

D

V

L

S

S

D

K

E

G

A

E

Q

A

V

V

R

R

E

G

G

L

M

V

E

D

E

N

A

A

V

V

A

R

A

Q

M

M

G

G

R

R

V

I

D

D

S

I

V

L

F

V

A

N

N

N

A

A

G

G

I

I

G

Q

Y

H

G

-

S

T

P

A

S

L

F

I

V

E

D

D

M

F

S

P

T

T

E

E

V

K

Y

W

R

D

K

A

V

I

L

L

A

A

V

L

N
|
N

L

L

D

S

G

A

V

V

F

F

F

H

T

G

L

T

R

A

E

A

A

A

C

L

R

P

H

H

M

M

V

K

E

K

R

Q

A

G

K

F

A

-

G

-

D

-

P

-

G

-

G

G

S

R

L

I

V

I

G

N

V

I

A

A

S
|
S

L

A

A

H

A

G

I

L

E

V

G

A

A

S

A

A

R

N

N

K

E

S

A

A

Y
|
Y

A

V

A

A

T

A

K
|
K

G

H

A

G

V

V

I

V

S

G

M

F

I

T

K

K

S

V

V

T

A

A

V

L

E

E

H

T

A

A

R

G

Y

Q

G

G

V

I

R

T

A

A

N

N

A

A

I

I

L

C

P

P

G

G

W

W

I

V

A

R

T

T

D

P

M

L

T

V

A

E

-

K

-

Q

-

I

-

S

-

A

-
x
L

-

A

-

E

-

K

-

N

G

G

A

V

Q

D

G

Q

N

E

A

T

A

A

F

A

A

R

E

E

K

L

V

L

I

S

P

E

R

K

V

Q

P

P

A

S

R

L

R

Q

W

F

G

V

E

T

P

P

E

E

D

Q

F

L

G

G

M

T

A

A

V

V

Y

F

L

L

A

A

S

S

D

D

A

A

S

A

Y

Q

H

I

S

T

G

G

T

T

L

V

V

S

I

V

D

D

G

G

Y
x
W

S

T

active site: G15 (= G21), N114 (= N119), S142 (= S152), Y155 (= Y165), K159 (= K169), L200 (vs. gap)
binding cacodylate ion: S142 (= S152), Y155 (= Y165), W257 (≠ Y257)

1x1tA Crystal structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas fragi complexed with NAD+ (see paper)
36% identity, 97% coverage: 8:258/260 of query aligns to 2:234/236 of 1x1tA

query
sites
1x1tA

L

L

S

K

G

G

K

K

V

V

A

A

L

V

V

V

T

T

G
|
G

G

S

N
x
T

R
x
S

G
|
G

I
|
I

G

G

L

L

G

G

M

I

A

A

K

T

A

A

M

L

A

A

Q

A

A

Q

G

G

A

A

D

D

I

I

V

V

I

L

W

N

G
|
G

-
x
F

-

G

-

D

-

A

-

E

-

I

S

E

N

K

P

V

E

R

R

A

N

G

L

L

A

A

E

Q

Q

H

T

-

L

-

T

-

A

-

L

-

G

G

V

V

R

K

V

V

K

L

A

Y

Q

D

T

G

V

A

D
|
D

V
x
L

S

S

D

K

E

G

A

E

Q

A

V

V

R

R

E

G

G

L

M

V

E

D

E

N

A

A

V

V

A

R

A

Q

M

M

G

G

R

R

V

I

D

D

S

I

V

L

F

V

A

N

N
|
N

A

A

G
|
G

I

I

G

Q

Y

H

G

-

S

T

P

A

S

L

F

I

V

E

D

D

M

F

S

P

T

T

E

E

V

K

Y

W

R

D

K

A

V

I

L

L

A

A

V
x
L

N
|
N

L

L

D

S

G

A

V

V

F

F

F

H

T

G

L

T

R

A

E

A

A

A

C

L

R

P

H

H

M

M

V

K

E

K

R

Q

A

G

K

F

A

-

G

-

D

-

P

-

G

-

G

G

S

R

L

I

V

I

G

N

V

I

A

A

S
|
S

L

A

A
x
H

A

G

I

L

E

V

G

A

A

S

A

A

R

N

N

K

E

S

A

A

Y
|
Y

A

V

A

A

T

A

K
|
K

G

H

A

G

V

V

I

V

S

G

M

F

I

T

K

K

S

V

V

T

A

A

V

L

E

E

H

T

A

A

R

G

Y

Q

G

G

V

I

R

T

A

A

N

N

A

A

I

I

L

C

P
|
P

G

G

W
|
W

I
x
V

A

R

T
|
T

D

L

M

L

T

S

A

-

G

-

A

-

Q

-

G

-

N

-

A

-

F

-

A

-

E

-

K

-

V

-

I

-

P

E

R

K

V

Q

P

P

A

S

R

L

R

Q

W

F

G

V

E

T

P

P

E

E

D

Q

F

L

G

G

M

T

A

A

V

V

Y

F

L

L

A

A

S

S

D

D

A

A

S

A

Y

Q

H

I

S

T

G

G

T

T

L

V

V

S

I

V

D

D

G

G

Y
x
W

S

T

active site: G15 (= G21), N114 (= N119), S142 (= S152), Y155 (= Y165), K159 (= K169)
binding cacodylate ion: S142 (= S152), H144 (≠ A154), Y155 (= Y165), W187 (= W197), W233 (≠ Y257)
binding nicotinamide-adenine-dinucleotide: G11 (= G17), T13 (≠ N19), S14 (≠ R20), G15 (= G21), I16 (= I22), G35 (= G41), F36 (vs. gap), D63 (= D67), L64 (≠ V68), N90 (= N94), G92 (= G96), L113 (≠ V118), S142 (= S152), Y155 (= Y165), K159 (= K169), P185 (= P195), W187 (= W197), V188 (≠ I198), T190 (= T200)

3uf0A Crystal structure of a putative NAD(p) dependent gluconate 5- dehydrogenase from beutenbergia cavernae(efi target efi-502044) with bound NADP (low occupancy)
37% identity, 97% coverage: 5:257/260 of query aligns to 2:246/249 of 3uf0A

query
sites
3uf0A

P

P

F

F

N

S

L

L

S

A

G

G

K

R

V

T

A

A

L

V

V

V

T

T

G
|
G

G

A

N

G

R
x
S

G
|
G

I
|
I

G

G

L

R

G

A

M

I

A

A

K

H

A

G

M

Y

A

A

Q

R

A

A

G

G

A

A

D

H

I

V

V

L

I

A

W

W

G

G

S
x
R

N

T

P

D

E

G

R

V

N

K

L

E

A

V

A

A

E

D

Q

E

T

I

L

A

T

D

A

G

L

-

G

G

V

G

R

S

V

A

K

E

A

A

Q

V

T

V

V

A

D
|
D

V
x
L

S

A

D

D

E

L

A

E

Q

G

V

A

R

A

E

N

G

V

M

A

E

E

A

-

V

L

A

A

M

T

G

R

R

R

V

V

D

D

S

V

V

L

F

V

A

N

N
|
N

A

A

G
|
G

I
|
I

G

I

Y

A

G

R

S

A

P

P

S

A

F

E

V

-

D

E

M

V

S

S

T

L

E

G

V

R

Y

W

R

R

K

E

V

V

L

L

A

T

V

V

N

N

L

L

D

D

G

A

V

A

F

W

F

V

T

L

L

S

R

R

E

S

A

F

C

G

R

T

H

A

M

M

V

L

E

A

R

H

A

G

K

S

A

-

G

-

D

-

P

-

G

-

G

G

S

R

L

I

V

V

G

T

V
x
I

A
|
A

S
|
S

L

M

A

L

A

S

I

F

E

Q

G

G

A

G

A

R

R

N

N
x
V

E

A

A

A

Y
|
Y

A

A

T

S

K
|
K

G

H

A

A

V

V

I

V

S

G

M

L

I

T

K

R

S

A

V

L

A

A

V

S

E

E

H

W

A

A

R

G

Y

R

G

G

V

V

R

G

A

V

N

N

A

A

I

L

L

A

P
|
P

G
|
G

W

Y

I
x
V

A

V

T
|
T

D

A

M
x
N

T
|
T

A

A

G

A

A

L

Q

R

G

A

N

D

A

D

A

E

F

R

A

A

E

A

K

E

V

I

I

T

P

A

R

R

V

I

P

P

A

A

R

G

R

R

W

W

G

A

E

T

P

P

E

E

D

D

F

M

G

V

G

G

M

P

A

A

V

V

Y

F

L

L

A

A

S

S

D

D

A

A

S

A

S

S

Y

Y

H

V

S

H

G

G

T

Q

T

V

L

L

V

A

I

V

D

D

G

G

Y

W

active site: G18 (= G21), S141 (= S152), V151 (≠ N162), Y154 (= Y165), K158 (= K169)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G17), S17 (≠ R20), G18 (= G21), I19 (= I22), R39 (≠ S42), D63 (= D67), L64 (≠ V68), N89 (= N94), G91 (= G96), I92 (= I97), I139 (≠ V150), A140 (= A151), S141 (= S152), Y154 (= Y165), K158 (= K169), P184 (= P195), G185 (= G196), V187 (≠ I198), T189 (= T200), N191 (≠ M202), T192 (= T203)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
32% identity, 97% coverage: 8:258/260 of query aligns to 3:246/248 of 6ixmC

query
sites
6ixmC

L

L

S

D

G

N

K

K

V

V

A

A

L

L

V

V

T

T

G
|
G

G

A

N

G

R
x
S

G
|
G

I
|
I

G

G

L

L

G

A

M

V

A

A

K

H

A

S

M

Y

A

A

Q

K

A

E

G

G

A

A

D

K

I

V

V

I

I

V

W

S

G
x
D

S
x
I

N

N

P

E

E

D

R

H

N

G

L

N

A

K

A

A

E

V

Q

E

T

D

L

I

T

K

A

A

L

Q

G

G

V

G

R

E

V

A

K

S

A

F

Q

V

T

K

V
x
A

D
|
D

V
x
T

S

S

D

N

E

P

A

E

Q

E

V

V

R

E

E

A

G

L

M

V

E

K

E

R

A

T

V

V

A

E

A

I

M

Y

G

G

R

R

V

L

D

D

S

I

V

A

F

C

A

N

N
|
N

A
|
A

G

G

I

I

G

G

Y

G

G

E

S

Q

P

A

S

L

F

A

V

G

D

D

M

Y

S

G

T

L

E

D

V

S

Y

W

R

R

K

K

V

V

L

L

A

S

V

I

N

N

L

L

D

D

G

G

V

V

F

F

F

Y

T

-

L

-

R

-

E

-

A

G

C

C

R

K

H

Y

M

E

V

L

E

E

R

Q

A

M

K

E

A

K

G

-

D

N

P

G

G

G

S

V

L

I

V

V

G

N

V
x
M

A

A

S
|
S

L

I

A

H

A

G

I

I

E

V

G

A

A

A

A

P

R

L

N

S

E

S

A

A

Y
|
Y

A

T

A

S

T

A

K
|
K

G

H

A

A

V

V

I

V

S

G

M

L

I

T

K

K

S

N

V

I

A

G

V

A

E

E

H

Y

A

G

R

Q

Y

K

G

N

V

I

R

R

A

C

N

N

A

A

I

V

L

G

P
|
P

G
x
A

W
x
Y

I
|
I

A

E

T

T

D

P

M
x
L

T

L

A

E

G

S

A

L

Q

-

G

-

N

T

A

K

A

E

F

M

A

K

E

E

K

A

V

L

I

I

P

S

R

K

V

H

P

P

A

M

R

G

R

R

W

L

G

G

E

K

P

P

E

E

D

E

F

V

G

A

G

E

M

L

A

V

V

L

Y

F

L

L

A

S

S

S

D

E

A

K

S

S

Y

F

H

M

S

T

G

G

T

G

T

Y

L

Y

V

L

I

V

D

D

G

G

Y

Y

S

T

active site: G16 (= G21), S142 (= S152), Y155 (= Y165), K159 (= K169)
binding nicotinamide-adenine-dinucleotide: G12 (= G17), S15 (≠ R20), G16 (= G21), I17 (= I22), D36 (≠ G41), I37 (≠ S42), A61 (≠ V66), D62 (= D67), T63 (≠ V68), N89 (= N94), A90 (= A95), M140 (≠ V150), S142 (= S152), Y155 (= Y165), K159 (= K169), P185 (= P195), A186 (≠ G196), Y187 (≠ W197), I188 (= I198), L192 (≠ M202)

7vyqA Short chain dehydrogenase (scr) cryoem structure with NADP and ethyl 4-chloroacetoacetate (see paper)
33% identity, 98% coverage: 6:259/260 of query aligns to 31:279/280 of 7vyqA

query
sites
7vyqA

F

F

N

S

L

L

S

K

G

G

K

K

V

V

A

A

L

S

V

V

T

T

G
|
G

G

S

N
x
S

R
x
G

G
|
G

I
|
I

G

G

L

W

G

A

M

V

A

A

K

E

A

A

M

Y

A

A

Q

Q

A

A

G

G

A

A

D

D

I

V

V

A

I

I

W

W

G

Y

S
x
N

N

S

P
x
H

E

P

R

A

N

D

L

E

A

K

A

A

E

E

Q

H

T

L

L

Q

T

K

A

T

L

Y

G

G

V

V

R

H

V

S

K

K

A

A

Q

Y

T

K

V

C

D

N

V
x
I

S

S

D

D

E

P

A

K

Q

S

V

V

R

E

E

E

G

T

M

I

E

S

E

Q

A

Q

V

E

A

K

A

D

M

F

G

G

R

T

V

I

D

D

S

V

V

F

F

V

A

A

N
|
N

A
|
A

G
|
G

I

V

G
x
T

Y

W

G

T

S

Q

P

G

S

P

F

E

V

I

D

D

M

V

S

D

T

N

-

Y

E

D

V

S

Y

W

R

N

K

K

V

I

L

I

A

S

V
|
V

N

D

L

L

D

N

G

G

V

V

F

Y

T

-

L

-

R

-

E

-

A

-

C

C

R

S

H

H

M

N

V

I

E

G

R

K

A

I

K

F

A

K

G

K

D

N

P

G

G

K

G

G

S

S

L

L

V

I

G

I

V

T

A

S

S
|
S

L

I

A

S

A

G

-

K

-

I

I

V

E

N

G

I

A

P

A
x
Q

R

L

N

Q

E

A

A

P

Y
|
Y

A

N

A

T

T

A

K
|
K

G

A

A

A

V

C

I

T

S

H

M

L

I

A

K

K

S

S

V

L

A

A

V

I

E

E

H

W

A

A

R

P

Y

F

G

A

V

-

R

R

A

V

N

N

A

T

I

I

L

S

P
|
P

G
|
G

W
x
Y

I
|
I

A

D

T
|
T

D

D

M
x
I

T
|
T

A

D

G
x
F

A

A

Q

S

G

K

N

D

A

-

F

M

A

K

E

A

K

K

V
x
W

I

W

P

Q

R

L

V

T

P

P

A

L

R

G

R

R

W

E

G

G

E

L

P

T

E

Q

D

E

F

L

G

V

G

G

M

G

A

Y

V

L

Y

Y

L

L

A

A

S

S

D

N

A

A

S

S

S

T

Y

F

H

T

S

T

G

G

T

S

T

D

L

V

V

V

I

I

D

D

G

G

Y

Y

S

T

I

C

binding ethyl 4-chloranyl-3-oxidanylidene-butanoate: T123 (≠ G98), S173 (= S152), Q183 (≠ A160), Y219 (≠ W197), F227 (≠ G205), W236 (≠ V216)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G42 (= G17), S44 (≠ N19), G45 (≠ R20), G46 (= G21), I47 (= I22), N67 (≠ S42), H69 (≠ P44), I93 (≠ V68), N119 (= N94), A120 (= A95), G121 (= G96), V144 (= V118), S173 (= S152), Y188 (= Y165), K192 (= K169), P217 (= P195), G218 (= G196), I220 (= I198), T222 (= T200), I224 (≠ M202), T225 (= T203)

7dlmA Short chain dehydrogenase (scr) crystal structure with NADPH (see paper)
33% identity, 98% coverage: 6:259/260 of query aligns to 31:279/280 of 7dlmA

query
sites
7dlmA

F

F

N

S

L

L

S

K

G

G

K

K

V

V

A

A

L

S

V

V

T

T

G
|
G

G

S

N
x
S

R
x
G

G
|
G

I
|
I

G

G

L

W

G

A

M

V

A

A

K

E

A

A

M

Y

A

A

Q

Q

A

A

G

G

A

A

D

D

I

V

V

A

I

I

W

W

G
x
Y

S
x
N

N
x
S

P
x
H

E

P

R

A

N

D

L

E

A

K

A

A

E

E

Q

H

T

L

L

Q

T

K

A

T

L

Y

G

G

V

V

R

H

V

S

K

K

A

A

Q

Y

T

K

V
x
C

D
x
N

V
x
I

S

S

D

D

E

P

A

K

Q

S

V

V

R

E

E

E

G

T

M

I

E

S

E

Q

A

Q

V

E

A

K

A

D

M

F

G

G

R

T

V

I

D

D

S

V

V

F

F

V

A

A

N
|
N

A
|
A

G
|
G

I
x
V

G

T

Y

W

G

T

S

Q

P

G

S

P

F

E

V

I

D

D

M

V

S

D

T

N

-

Y

E

D

V

S

Y

W

R

N

K

K

V

I

L

I

A

S

V

V

N

D

L

L

D

N

G

G

V

V

F

Y

T

-

L

-

R

-

E

-

A

-

C

C

R

S

H

H

M

N

V

I

E

G

R

K

A

I

K

F

A

K

G

K

D

N

P

G

G

K

G

G

S

S

L

L

V

I

G

I

V
x
T

A

S

S
|
S

L

I

A

S

A

G

-

K

-

I

I

V

E

N

G

I

A

P

A

Q

R

L

N

Q

E

A

A

P

Y
|
Y

A

N

A

T

T

A

K
|
K

G

A

A

A

V

C

I

T

S

H

M

L

I

A

K

K

S

S

V

L

A

A

V

I

E

E

H

W

A

A

R

P

Y

F

G

A

V

-

R

R

A

V

N

N

A

T

I

I

L

S

P
|
P

G
|
G

W

Y

I
|
I

A

D

T
|
T

D

D

M
x
I

T

T

A

D

G

F

A

A

Q

S

G

K

N

D

A

-

F

M

A

K

E

A

K

K

V

W

I

W

P

Q

R

L

V

T

P

P

A

L

R

G

R

R

W

E

G

G

E

L

P

T

E

Q

D

E

F

L

G

V

G

G

M

G

A

Y

V

L

Y

Y

L

L

A

A

S

S

D

N

A

A

S

S

S

T

Y

F

H

T

S

T

G

G

T

S

T

D

L

V

V

V

I

I

D

D

G

G

Y

Y

S

T

I

C

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G42 (= G17), S44 (≠ N19), G45 (≠ R20), G46 (= G21), I47 (= I22), Y66 (≠ G41), N67 (≠ S42), S68 (≠ N43), H69 (≠ P44), C91 (≠ V66), N92 (≠ D67), I93 (≠ V68), N119 (= N94), A120 (= A95), G121 (= G96), V122 (≠ I97), T171 (≠ V150), S173 (= S152), Y188 (= Y165), K192 (= K169), P217 (= P195), G218 (= G196), I220 (= I198), T222 (= T200), I224 (≠ M202)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
36% identity, 96% coverage: 8:256/260 of query aligns to 3:244/247 of 4jroC

query
sites
4jroC

L

L

S

Q

G

G

K

K

V

V

A

A

L

V

V

V

T

T

G
|
G

G

G

N
x
S

R
|
R

G
|
G

I
|
I

G

G

L

R

G

D

M

I

A

A

K

I

A

N

M

L

A

A

Q

K

A

E

G

G

A

A

D

N

I

I

V

F

I

F

-
x
N

W
x
Y

G
x
N

S
x
G

N
x
S

P

P

E

E

R

-

N

-

L

-

A

A

E

E

Q

E

T

T

L

A

T

K

A

L

L

V

-

A

-

E

-

H

G

G

V

V

R

E

V

V

K

E

A

A

Q

M

T

K

V

A

D
x
N

V
|
V

S

A

D

I

E

A

A

E

Q

D

V

V

R

D

E

A

G

F

M

F

E

K

E

Q

A

A

V

I

A

E

A

R

M

F

G

G

R

R

V

V

D

D

S

I

V

L

F

V

A

N

N
|
N

A
|
A

G

G

I
|
I

G

T

Y

R

G

D

S

N

P

L

S

-

F

L

V

M

D

R

M

M

S

K

T

E

E

D

V

E

Y

W

R

D

K

D

V

V

L

I

A

N

V
x
I

N

N

L

L

D

K

G

G

V

T

F

F

F

L

T

-

L

-

R

-

E

-

A

-

C

C

R

T

H

K

M

A

V

V

E

S

R

R

A

T

K

M

A

M

G

K

D

Q

P

R

G

A

G

G

S

K

L

I

V

I

G

N

V

M

A

A

S
|
S

L

V

A

V

A

G

I

L

E

I

G

G

A

N

A

A

R

G

N
x
Q

E

A

A

N

Y
|
Y

A

V

A

A

T

S

K
|
K

G

A

A

G

V

V

I

I

S

G

M

L

I

T

K

K

S

T

V

T

A

A

V

R

E

E

H

L

A

A

R

P

Y

R

G

G

V

I

R

N

A

V

N

N

A

A

I

V

L

A

P
|
P

G

G

W

F

I
|
I

A

T

T
|
T

D

D

M

M

T

T

A

-

G

-

A

D

Q

K

G

L

N

D

A

E

A

K

F

T

A

K

E

E

K

A

V

M

I

L

P

A

R

Q

V

I

P

P

A

L

R

G

R

A

W

Y

G

G

E

T

P

T

E

E

D

D

F

I

G

A

G

N

M

A

A

V

V

L

Y

F

L

L

A

A

S

S

D

D

A

A

S

S

S

K

Y

Y

H

I

S

T

G

G

T

Q

T

T

L

L

V

S

I

V

D

D

G

G

active site: G16 (= G21), S142 (= S152), Q152 (≠ N162), Y155 (= Y165), K159 (= K169)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G17), S14 (≠ N19), R15 (= R20), G16 (= G21), I17 (= I22), N35 (vs. gap), Y36 (≠ W40), N37 (≠ G41), G38 (≠ S42), S39 (≠ N43), N63 (≠ D67), V64 (= V68), N90 (= N94), A91 (= A95), I93 (= I97), I113 (≠ V118), S142 (= S152), Y155 (= Y165), K159 (= K169), P185 (= P195), I188 (= I198), T190 (= T200)

5yssB Crystal structure of aminocaproic acid cyclase in complex with NAD (+) (see paper)
33% identity, 97% coverage: 7:257/260 of query aligns to 1:252/255 of 5yssB

query
sites
5yssB

N

N

L

L

S

T

G

G

K

K

V

T

A

A

L

L

V

V

T

T

G
|
G

G

S

N
x
T

R
x
S

G
|
G

I
|
I

G

G

L

L

G

G

M

I

A

A

K

Q

A

V

M

L

A

A

Q

Q

A

A

G

G

A

A

D

T

I

L

V

I

I

L

W

N

G
|
G

S
x
F

N

G

P

D

E

V

R

D

N

-

L

-

A

A

E

K

Q

D

T

A

L

V

T

A

A

Q

L

Y

G

G

V

K

R

T

V

P

K

G

A

Y

Q

H

T

G

V

A

D

D

V
x
L

S

S

D

D

E

E

A

A

Q

Q

V

I

R

A

E

D

G

M

M

M

E

R

E

Y

A

A

V

E

A

S

A

E

M

F

G

G

R

G

V

V

D

D

S

I

V

L

F

I

A

N

N
|
N

A

A

G
|
G

I
|
I

G

Q

Y

H

G

V

S

S

P

P

S

-

F

I

V

E

D

T

M

F

S

P

T

V

E

D

V

K

Y

W

R

N

K

A

V

I

L

I

A

A

V

I

N

N

L

L

D

S

G

S

V

V

F

F

F

H

T

T

L

T

R

R

E

L

A

A

C

L

R

P

H

G

M

M

V

R

E

A

R

R

A

N

K

-

A

-

G

-

D

-

P

-

G

W

G

G

S

R

L

I

V

I

G

N

V

I

A
|
A

S

S

L

V

A

H

A

G

I

L

E

V

G

A

A

S

A

K

R

E

N

K

E

S

A

A

Y
|
Y

A

V

A

A

T

A

K
|
K

G

H

A

G

V

V

I

V

S

G

M

L

I

T

K

K

S

T

V

I

A

A

V

L

E

E

H

T

A

A

R

Q

Y

T

G

E

V

I

R

T

A

C

N

N

A

A

I

L

L

C

P
|
P

G
|
G

W

W

I
x
V

A

L

T
|
T

D

P

M

L

T

V

A

Q

-

Q

-

I

-

D

-

K

-

R

-

I

-

A

-

E

G

G

A

A

Q

E

G

P

N

E

A

A

F

R

A

D

E

A

K

L

V

L

I

A

P

E

R

K

V

Q

P

P

A

S

R

R

R

E

W

F

G

V

E

T

P

P

E

E

D

Q

F

L

G

G

G

N

M

L

A

A

V

L

Y

F

L

L

A

C

S

S

D

D

A

G

S

A

Y

Q

H

V

S

R

G

G

T

V

T

A

L

W

V

N

I

M

D

D

G

G

Y

W

binding nicotinamide-adenine-dinucleotide: G11 (= G17), T13 (≠ N19), S14 (≠ R20), G15 (= G21), I16 (= I22), G35 (= G41), F36 (≠ S42), L60 (≠ V68), N86 (= N94), G88 (= G96), I89 (= I97), A137 (= A151), Y151 (= Y165), K155 (= K169), P181 (= P195), G182 (= G196), V184 (≠ I198), T186 (= T200)

Query Sequence

>CCNA_03491 CCNA_03491 gluconate 5-dehydrogenase (Ga5DH)-related protein
MAYAPFNLSGKVALVTGGNRGIGLGMAKAMAQAGADIVIWGSNPERNLAAEQTLTALGVR
VKAQTVDVSDEAQVREGMEEAVAAMGRVDSVFANAGIGYGSPSFVDMSTEVYRKVLAVNL
DGVFFTLREACRHMVERAKAGDPGGSLVGVASLAAIEGAARNEAYAATKGAVISMIKSVA
VEHARYGVRANAILPGWIATDMTAGAQGNAAFAEKVIPRVPARRWGEPEDFGGMAVYLAS
DASSYHSGTTLVIDGGYSIF

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