SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011319210.1 NCBI__GCF_000204075.1:WP_011319210.1 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)

3ijrF 2.05 angstrom resolution crystal structure of a short chain dehydrogenase from bacillus anthracis str. 'Ames ancestor' in complex with NAD+
63% identity, 98% coverage: 6:285/285 of query aligns to 11:290/290 of 3ijrF

query
sites
3ijrF

T

T

L

M

Q

P

P

A

P

Q

Q

H

Q

Q

Q

N

K

K

T

Q

P
|
P

G

G

T

I

E

E

S

S

K

L

M

M

Q

N

P

P

K

L

P

P

Q

Q

A

F

D

E

D

D

A

P

R

N

Y

Y

L

K

G

G

S

S

G

E

K

K

L

L

K

K

D

G

K

K

V

N

A

V

L

L

I

I

T

T

G

G

D
|
D

S
|
S

G
|
G

I
|
I

G

G

R

R

A

A

V

V

A

S

I

I

A

A

Y

F

A

A

K

K

E

E

G

G

A

A

D

N

V

I

A

A

F

I

V

A

Y
|
Y

L
|
L

S

D

E
|
E

H

E

G

G

D

D

A

A

E

N

E

E

T

T

K

K

N

Q

L

Y

V

V

E

E

E

K

Q

E

G

G

R

V

R

K

A

C

V

V

S

L

I

L

A

P

G
|
G

D
|
D

I
x
L

T

S

D

D

E

E

A

Q

F

H

C

C

Q

K

R

D

A

I

I

V

Q

Q

Q

E

T

T

V

V

D

R

E

Q

F

L

G

G

K

S

L

L

D

N

I

I

L

L

I

V

N

N

N
|
N

A
x
V

A
|
A

E
x
Q

Q

Q

H

Y

P

P

Q

Q

E

Q

S

G

I

L

E

E

D

Y

I

I

T

T

K

A

E

E

Q

Q

L

L

E

E

R

K

T

T

F

F

S

R

T
x
I

N

N

I

I

F

F

S

S

M

Y

F

F

Y

H

L

V

T

T

K

K

A

A

L

L

K

S

H

H

L

L

K

K

Q

Q

G

G

S

D

A

V

I

I

N

N

T
|
T

T

A

S
|
S

V

I

T

V

A

A

Y

Y

K

E

G

G

S

N

S

E

H

T

L
|
L

L

I

D

D

Y
|
Y

S

S

A

A

T

T

K
|
K

G

G

A

A

I

I

V

V

A

A

F

F

T

T

R

R

S

S

L

L

S

S

Q

Q

N

S

L

L

I

V

S

Q

K

K

G

G

I

I

R

R

V

V

N

N

A

G

V

V

A

A

P
|
P

G
|
G

P
|
P

I
|
I

W

W

T
|
T

P

P

L
|
L

I

I

P

P

S

S

T

S

F

F

P

D

T

E

E
x
K

K

K

V

V

E

S

T

Q

F

F

G

G

K

S

Q

N

V

V

P

P

M

M

Q

Q

R

R

A

P

G

G

Q

Q

P

P

E

Y

E

E

V

L

A

A

P

P

S

A

Y

Y

V

V

F

Y

L

L

A

A

S

S

D

S

D

D

S

S

Y

Y

M

V

S

T

G

G

Q

Q

V

M

L

I

H

H

P

V

N

N

G

G

E

V

V

I

V

V

N

N

G

G

active site: G57 (= G52), S182 (= S177), L192 (= L187), Y195 (= Y190), K199 (= K194), K240 (≠ E235)
binding magnesium ion: D55 (= D50), S56 (= S51), E80 (= E75)
binding nicotinamide-adenine-dinucleotide: P21 (= P16), D55 (= D50), S56 (= S51), G57 (= G52), I58 (= I53), Y77 (= Y72), L78 (= L73), E80 (= E75), G103 (= G98), D104 (= D99), L105 (≠ I100), N131 (= N126), V132 (≠ A127), A133 (= A128), Q134 (≠ E129), I155 (≠ T150), T180 (= T175), S182 (= S177), Y195 (= Y190), K199 (= K194), P225 (= P220), G226 (= G221), P227 (= P222), I228 (= I223), T230 (= T225), L232 (= L227)

3i3oA 2.06 angstrom resolution crystal structure of a short chain dehydrogenase from bacillus anthracis str. 'Ames ancestor' in complex with NAD-acetone
63% identity, 98% coverage: 6:285/285 of query aligns to 3:282/282 of 3i3oA

query
sites
3i3oA

T

T

L

M

Q

P

P

A

P

Q

Q

H

Q

Q

Q

N

K

K

T

Q

P

P

G

G

T

I

E

E

S

S

K

L

M

M

Q

N

P

P

K

L

P

P

Q

Q

A

F

D

E

D

D

A

P

R

N

Y

Y

L

K

G

G

S

S

G

E

K

K

L

L

K

K

D

G

K

K

V

N

A

V

L

L

I

I

T

T

G
|
G

G

G

D
|
D

S
|
S

G
|
G

I
|
I

G

G

R

R

A

A

V

V

A

S

I

I

A

A

Y

F

A

A

K

K

E

E

G

G

A

A

D

N

V

I

A

A

F

I

V

A

Y
|
Y

L
|
L

S

D

E
|
E

H

E

G

G

D

D

A

A

E

N

E

E

T

T

K

K

N

Q

L

Y

V

V

E

E

E

K

Q

E

G

G

R

V

R

K

A

C

V

V

S

L

I

L

A

P

G
|
G

D
|
D

I
x
L

T

S

D

D

E

E

A

Q

F

H

C

C

Q

K

R

D

A

I

I

V

Q

Q

Q

E

T

T

V

V

D

R

E

Q

F

L

G

G

K

S

L

L

D

N

I

I

L

L

I

V

N

N

N
|
N

A
x
V

A
|
A

E
x
Q

Q
|
Q

H

Y

P

P

Q

Q

E

Q

S

G

I

L

E

E

D

Y

I

I

T

T

K

A

E

E

Q

Q

L

L

E

E

R

K

T

T

F

F

S

R

T
x
I

N

N

I

I

F

F

S

S

M

Y

F

F

Y

H

L

V

T

T

K

K

A

A

L

L

K

S

H

H

L

L

K

K

Q

Q

G

G

S

D

A

V

I

I

N

N

T
|
T

T

A

S
|
S

V

I

T

V

A

A

Y

Y

K

E

G

G

S

N

S

E

H

T

L
|
L

L

I

D

D

Y
|
Y

S

S

A

A

T

T

K
|
K

G

G

A

A

I

I

V

V

A

A

F

F

T

T

R

R

S

S

L

L

S

S

Q

Q

N

S

L

L

I

V

S

Q

K

K

G

G

I

I

R

R

V

V

N

N

A

G

V

V

A

A

P
|
P

G
|
G

P

P

I
|
I

W

W

T
|
T

P

P

L
|
L

I

I

P

P

S

S

T

S

F

F

P

D

T

E

E
x
K

K

K

V

V

E

S

T

Q

F

F

G

G

K

S

Q

N

V

V

P

P

M

M

Q

Q

R

R

A

P

G

G

Q

Q

P

P

E

Y

E

E

V

L

A

A

P

P

S

A

Y

Y

V

V

F

Y

L

L

A

A

S

S

D

S

D

D

S

S

Y

Y

M

V

S

T

G

G

Q

Q

V

M

L

I

H

H

P

V

N

N

G

G

E

V

V

I

V

V

N

N

G

G

active site: G49 (= G52), S174 (= S177), L184 (= L187), Y187 (= Y190), K191 (= K194), K232 (≠ E235)
binding magnesium ion: D47 (= D50), S48 (= S51), E72 (= E75)
binding nicotinamide adenine dinucleotide acetone adduct: G45 (= G48), D47 (= D50), S48 (= S51), G49 (= G52), I50 (= I53), Y69 (= Y72), L70 (= L73), E72 (= E75), G95 (= G98), D96 (= D99), L97 (≠ I100), N123 (= N126), V124 (≠ A127), A125 (= A128), Q126 (≠ E129), Q127 (= Q130), I147 (≠ T150), T172 (= T175), S174 (= S177), Y187 (= Y190), K191 (= K194), P217 (= P220), G218 (= G221), I220 (= I223), T222 (= T225), L224 (= L227)

3r3sA Structure of the ygha oxidoreductase from salmonella enterica
51% identity, 96% coverage: 9:281/285 of query aligns to 15:289/292 of 3r3sA

query
sites
3r3sA

P

P

P

K

Q

Q

Q

K

Q

Q

K

P

T

A

P

P

G

G

T

V

E

Q

S

A

K

K

M

M

Q

T

P

P

K

V

P

P

Q

D

A

C

D

G

D

E

A

K

R

S

Y

Y

L

V

G

G

S

S

G

G

K

R

L

L

K

K

D

D

K

R

V

K

A

A

L

L

I

V

T

T

G

G

D
|
D

S
|
S

G
|
G

I
|
I

G

G

R

R

A

A

V

A

A

A

I

I

A

A

Y

Y

A

A

K

R

E

E

G

G

A

A

D

D

V

V

A

A

F

I

V

N

Y

Y

L
|
L

-

P

S

A

E
|
E

H

E

G

E

D

D

A

A

E

Q

T

V

K

K

N

A

L

L

V

I

E

E

Q

C

G

G

R

R

R

K

A

A

V

V

S

L

I

L

A

P

G

G

D
|
D

I
x
L

T

S

D

D

E

E

A

S

F

F

C

A

Q

R

R

S

A

L

I

V

Q

H

Q

K

T

A

V

R

D

E

E

A

F

L

G

G

K

G

L

L

D

D

I

I

L

L

I

A

N

L

N
x
V

A
|
A

A
x
G

E

K

Q

Q

H

T

P

A

Q

I

E

P

S

E

I

I

E

K

D

D

I

L

T

T

K

S

E

E

Q

Q

L

F

E

Q

R

Q

T

T

F

F

S

A

T

V

N

N

I

V

F

F

S

A

M

L

F

F

Y

W

L

I

T

T

K

Q

A

E

A

A

L

I

K

P

H

L

L

L

K

P

Q

K

G

G

S

A

A

S

I

I

N

T

T

T

T

S

S
|
S

V

I

T

Q

A

A

Y

Y

K

Q

G

P

S

S

S

P

H

H

L
|
L

L

L

D

D

Y
|
Y

S

A

A

A

T

T

K
|
K

G

A

A

A

I

I

V

L

A

N

F

Y

T

S

R

R

S

G

L

L

S

A

Q

K

N

Q

L

V

I

A

S

E

K

K

G

G

I

I

R

R

V

V

N

N

A

I

V

V

A

A

P
|
P

G
|
G

P

P

I
|
I

W

W

T
|
T

P

A

L
|
L

I
x
Q

P

I

S

S

T

G

F

G

P

Q

T

T

E
x
Q

-

D

K

K

V

I

E

P

T

Q

F

F

G

G

K

Q

Q

Q

V

T

P

P

M

M

Q

K

R

R

A

A

G

G

Q

Q

P

P

E

A

E

E

V

L

A

A

P

P

S

V

Y

Y

V

V

F

Y

L

L

A

A

S

S

D

Q

D

E

S

S

Y

Y

M

V

S

T

G

A

Q

E

V

V

L

H

H

G

P

V

N

C

G

G

E

E

active site: G58 (= G52), S184 (= S177), L194 (= L187), Y197 (= Y190), K201 (= K194), Q242 (≠ E235)
binding magnesium ion: D56 (= D50), S57 (= S51), E82 (= E75)
binding nicotinamide-adenine-dinucleotide: D56 (= D50), S57 (= S51), G58 (= G52), I59 (= I53), L79 (= L73), E82 (= E75), D106 (= D99), L107 (≠ I100), V133 (≠ N126), A134 (= A127), G135 (≠ A128), S184 (= S177), Y197 (= Y190), K201 (= K194), P227 (= P220), G228 (= G221), I230 (= I223), T232 (= T225), L234 (= L227), Q235 (≠ I228)

5jydB Crystal structure of a putative short chain dehydrogenase from burkholderia cenocepacia
52% identity, 95% coverage: 9:280/285 of query aligns to 15:288/292 of 5jydB

query
sites
5jydB

P

P

P

H

Q

Q

Q

V

Q

Q

K

A

T

P

P

P

G

G

T

L

E

A

S

S

K

R

M

M

Q

Q

P

P

K

R

P

P

Q

D

A

H

D

G

D

E

A

Q

R

S

Y

Y

L

R

G

G

S

R

G

G

K

R

L

L

K

V

D

G

K

R

V

K

A

T

L

L

I

V

T

T

G
|
G

G

G

D
|
D

S
|
S

G
|
G

I
|
I

G

G

R

R

A

A

V

A

A

A

I

I

A

A

Y

F

A

A

K

R

E

E

G

G

A

A

D

D

V

V

A

A

F

I

V

G

Y

Y

L
|
L

S

P

-

V

E
|
E

H

E

G

S

D

D

A

A

E

R

E

E

T

V

K

V

N

A

L

L

V

I

E

R

E

A

Q

A

G

G

R

R

R

Q

A

A

V

V

S

A

I

L

A

P

G

G

D
|
D

I
|
I

T

R

D

D

E

E

A

T

F

F

C

C

Q

Q

R

R

A

L

I

V

Q

A

Q

R

T

A

V

A

D

E

E

A

F

L

G

G

K

G

L

L

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

E

R

Q

Q

H

Q

P

A

Q

L

E

D

S

S

I

I

E

G

D

E

I

M

T

T

K

T

E

E

Q

H

L

F

E

D

R

A

T

T

F

V

S

K

T

T

N

N

I

L

F

Y

S

G

M

M

F

F

Y

W

L

I

T

T

K

K

A

A

L

I

K

P

H

H

L

L

K

P

Q

P

G

G

S

A

A

S

I

I

N

N

T
|
T

T

T

S
|
S

V

V

T

Q

A

A

Y

V

K

R

G

A

S

S

S

A

H

N

L
|
L

L

L

D

D

Y
|
Y

S

A

A

T

T

T

K
|
K

G

A

A

G

I

I

V

I

A

A

F

F

T

T

R

R

S

S

L

L

S

A

Q

K

N

Q

L

L

I

G

S

P

K

R

G

G

I

I

R

R

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

P
|
P

I
x
Y

W

W

T
|
T

P

P

L
|
L

I
x
Q

P

S

S

S

T

G

F

G

-

Q

P

P

T
x
P

E

E

K

T

V

V

E

V

T

N

F

Y

G

A

K

A

Q

G

V

S

P

P

M

Y

Q

G

R

R

A

P

G

G

Q

Q

P

P

E

A

E

E

V

I

A

A

P

P

S

L

Y

Y

V

V

F

A

L

L

A

A

S

A

D

S

D

E

S

T

S

S

Y

Y

M

A

S

N

G

G

Q

Q

V

V

L

W

H

G

P

A

N

D

G

G

active site: G58 (= G52), S184 (= S177), L194 (= L187), Y197 (= Y190), K201 (= K194), P242 (≠ T234)
binding magnesium ion: D56 (= D50), S57 (= S51), E82 (= E75)
binding nicotinamide-adenine-dinucleotide: G54 (= G48), D56 (= D50), S57 (= S51), G58 (= G52), I59 (= I53), L79 (= L73), E82 (= E75), D106 (= D99), I107 (= I100), N133 (= N126), A134 (= A127), A135 (= A128), T182 (= T175), S184 (= S177), Y197 (= Y190), K201 (= K194), P227 (= P220), G228 (= G221), P229 (= P222), Y230 (≠ I223), T232 (= T225), L234 (= L227), Q235 (≠ I228)

P0AG84 Uncharacterized oxidoreductase YghA; EC 1.-.-.- from Escherichia coli (strain K12) (see paper)
51% identity, 96% coverage: 9:281/285 of query aligns to 17:291/294 of P0AG84

query
sites
P0AG84

P

P

P

K

Q

Q

Q

K

Q

Q

K

P

T

T

P

P

G

G

T

I

E

Q

S

A

K

K

M

M

Q

T

P

P

K

V

P

P

Q

D

A

C

D

G

D

E

A
x
K

R

T

Y

Y

L

V

G

G

S

S

G

G

K

R

L

L

K

K

D

D

K

R

V

K

A

A

L

L

I

V

T

T

G

G

D

D

S

S

G

G

I

I

G

G

R

R

A

A

V

A

A

A

I

I

A

A

Y

Y

A

A

K

R

E

E

G

G

A

A

D

D

V

V

A

A

F

I

V

S

Y

Y

L

L

S

P

-

V

E

E

H

E

G

E

D

D

A

A

E

Q

E

D

T

V

K

K

N

K

L

I

V

I

E

E

Q

C

G

G

R

R

R

K

A

A

V

V

S

L

I

L

A

P

G

G

D

D

I

L

T

S

D

D

E

E

A

K

F

F

C

A

Q

R

R

S

A

L

I

V

Q

H

Q

E

T

A

V

H

D

K

E

A

F

L

G

G

K

G

L

L

D

D

I

I

L

M

I

A

N

L

N

V

A

A

A

G

E

K

Q

Q

H

V

P

A

Q

I

E

P

S

D

I

I

E

A

D

D

I

L

T

T

K

S

E

E

Q

Q

L

F

E

Q

R

K

T

T

F

F

S

A

T

I

N

N

I

V

F

F

S

A

M

L

F

F

Y

W

L

L

T

T

K

Q

A

E

A

A

L

I

K

P

H

L

L

L

K

P

Q

K

G

G

S

A

A

S

I

I

N

T

T

T

T

S

S

S

V

I

T

Q

A

A

Y

Y

K

Q

G

P

S

S

S

P

H

H

L

L

D

D

Y

Y

S

A

A

A

T

T

K

K

G

A

A

A

I

I

V

L

A

N

F

Y

T

S

R

R

S

G

L

L

S

A

Q

K

N

Q

L

V

I

A

S

E

K

K

G

G

I

I

R

R

V

V

N

N

A

I

V

V

A

A

P

P

G

G

P

P

I

I

W

W

T

T

P

A

L

L

I

Q

P

I

S

S

T

G

F

G

P

Q

T

T

-

Q

E

D

K

K

V

I

E

P

T

Q

F

F

G

G

K

Q

Q

Q

V

T

P

P

M

M

Q

K

R

R

A

A

G

G

Q

Q

P

P

E

A

E

E

V

L

A

A

P

P

S

V

Y

Y

V

V

F

Y

L

L

A

A

S

S

D

Q

D

E

S

S

Y

Y

M

V

S

T

G

A

Q

E

V

V

L

H

H

G

P

V

N

C

G

G

E

E

K39 (≠ A31) modified: N6-acetyllysine

7v0hG Crystal structure of putative glucose 1-dehydrogenase from burkholderia cenocepacia in complex with NADP and a potential reaction product
40% identity, 85% coverage: 38:280/285 of query aligns to 8:251/253 of 7v0hG

query
sites
7v0hG

K

K

L

L

K

A

D

G

K

K

V

V

A

A

L

I

I

V

T

T

G
|
G

G

A

D
x
S

S
x
K

G
|
G

I
|
I

G

G

R

A

A

A

V

I

A

A

I

K

A

A

Y

L

A

A

K

D

E

E

G

G

A

A

D

A

V

V

A

V

F

V

V

N

Y

Y

L
x
A

S
|
S

E
x
S

H

K

G

A

D

G

A

A

E

D

E

A

T

V

K

V

N

S

L

A

V

I

E

T

E

E

Q

A

G

G

R

G

R

R

A

A

V

V

S

A

I

V

A

G

G
|
G

D
|
D

I
x
V

T

S

D

K

E

A

A

A

F

D

C

A

Q

Q

R

R

A

I

I

V

Q

D

Q

T

T

A

V

I

D

E

E

T

F

Y

G

G

K

R

L

L

D

D

I

V

L

L

I

V

N

N

N
|
N

A
x
S

A
x
G

-

V

-
x
Y

E

E

Q

F

H

A

P

P

Q

-

E

-

S

-

I

I

E

E

D

A

I

I

T

T

K

E

E

E

Q

H

L

Y

E

R

R

R

T

Q

F

F

S

D

T

T

N

N

I

V

F

F

S

G

M

V

F

L

Y

L

L

T

T

T

K

Q

A

A

L

V

K

K

H

H

L

L

K

G

Q

E

G

G

S

A

A

S

I

I

N

N

T
x
I

T

S

S
|
S

V

V

T

V

A

T

Y

S

K

I

G

T

S

P

H

A

L

S

L

A

D

V

Y
|
Y

S

S

A

G

T

T

K
|
K

G

G

A

A

I

V

V

D

A

A

F

I

T

T

R

G

S

V

L

L

S

A

Q

L

N

E

L

L

I

G

S

P

K

R

G

K

I

I

R

R

V

V

N

N

A

A

V

I

A

N

P
|
P

G
|
G

P
x
M

I
|
I

W

V

T
|
T

P

E

-
x
G

-
x
T

-

H

-

S

-

A

-

G

L
x
I

I

I

P

G

S

S

T

D

F

L

P

E

T

A

E

Q

K

V

V

L

E

-

T

-

F

-

G

-

K

G

Q

Q

V

T

P

P

M

L

Q

G

R

R

A

L

G

G

Q

E

P

P

E

N

E

D

V

I

A

A

P

S

S

V

Y

A

V

V

F

F

L

L

A

A

S

S

D

D

S

A

S

R

Y

W

M

M

S

T

G

G

Q

E

V

H

L

L

H

V

P

V

N

S

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G48), S20 (≠ D50), K21 (≠ S51), G22 (= G52), I23 (= I53), A43 (≠ L73), S44 (= S74), S45 (≠ E75), G68 (= G98), D69 (= D99), V70 (≠ I100), N96 (= N126), S97 (≠ A127), G98 (≠ A128), Y100 (vs. gap), I144 (≠ T175), S146 (= S177), Y159 (= Y190), K163 (= K194), P189 (= P220), G190 (= G221), M191 (≠ P222), I192 (= I223), T194 (= T225), G196 (vs. gap), T197 (vs. gap)
binding (2R)-2-(hydroxymethyl)pentanedioic acid: S146 (= S177), Y159 (= Y190), M191 (≠ P222), I202 (≠ L227)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
38% identity, 85% coverage: 38:280/285 of query aligns to 4:241/244 of 4nbuB

query
sites
4nbuB

K

R

L

L

K

Q

D

D

K

K

V

V

A

A

L

I

I

I

T

T

G
|
G

G

A

D

A

S
x
N

G
|
G

I
|
I

G

G

R

L

A

E

V

A

A

A

I

R

A

V

Y

F

A

M

K

K

E

E

G

G

A

A

D

K

V

V

A

V

F

I

V

A

Y
x
D

L
x
F

S

N

E

E

H

A

G

A

D

G

A

K

E

E

E

A

T

V

K

-

N

-

L

-

V

-

E

-

E

E

Q

A

G

N

R

P

R

G

A

V

V

V

S

F

I

I

A

R

G
x
V

D
|
D

I
x
V

T

S

D

D

E

R

A

E

F

S

C

V

Q

H

R

R

A

L

I

V

Q

E

Q

N

T

V

V

A

D

E

E

R

F

F

G

G

K

K

L

I

D

D

I

I

L

L

I

I

N

N

N
|
N

A
|
A

A
x
G

E
x
I

Q

T

H

R

P

-

Q
x
D

E

S

S

M

I

L

E

S

D
x
K

I

M

T

T

K

V

E

D

Q

Q

L

F

E

Q

R

Q

T

V

F

I

S

N

T

V

N
|
N

I

L

F

T

S

G

M

V

F

F

Y

H

L

C

T

T

K

Q

A

A

A

V

L

L

K

P

H

Y

L

M

-

A

K

E

Q

Q

G

G

S

K

A

G

-

K

I

I

N

N

T
|
T

T

S

S
|
S

V

V

T

T

A

G

Y

T

K

Y

G

G

S
x
N

S
x
V

H

G

L
x
Q

L

T

D

N

Y
|
Y

S

A

A

A

T

A

K
|
K

G

A

A

G

I

V

V

I

A

G

F

M

T

T

R

K

S

T

L

W

S

A

Q

K

N

E

L

L

I

A

S

R

K

K

G

G

I

I

R

N

V

V

N

N

A

A

V

V

A

A

P
|
P

G

G

P
x
F

I
x
T

W

E

T
|
T

P

A

L
x
M

I

V

P

A

S

E

T

V

F

-

P

P

T

E

E

K

K

V

V

I

E

E

T
x
K

F

M

G

K

K

A

Q

Q

V

V

P

P

M

M

Q

G

R

R

A

L

G

G

Q

K

P

P

E

E

E

D

V

I

A

A

P

N

S

A

Y

Y

V

L

F

F

L

L

A

A

S

S

D

H

D

E

S

S

S

D

Y

Y

M

V

S

N

G

G

Q

H

V

V

L

L

H

H

P

V

N

D

G

G

active site: G18 (= G52), N111 (= N151), S139 (= S177), Q149 (≠ L187), Y152 (= Y190), K156 (= K194)
binding acetoacetyl-coenzyme a: D93 (≠ Q133), K98 (≠ D138), S139 (= S177), N146 (≠ S184), V147 (≠ S185), Q149 (≠ L187), Y152 (= Y190), F184 (≠ P222), M189 (≠ L227), K200 (≠ T239)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G48), N17 (≠ S51), G18 (= G52), I19 (= I53), D38 (≠ Y72), F39 (≠ L73), V59 (≠ G98), D60 (= D99), V61 (≠ I100), N87 (= N126), A88 (= A127), G89 (≠ A128), I90 (≠ E129), T137 (= T175), S139 (= S177), Y152 (= Y190), K156 (= K194), P182 (= P220), F184 (≠ P222), T185 (≠ I223), T187 (= T225), M189 (≠ L227)

8bcjB Crystal structure of short-chain dehydrogenase pa3128 from pseudomonas aeruginosa pao1 in complex with NADP+
36% identity, 84% coverage: 42:280/285 of query aligns to 5:249/250 of 8bcjB

query
sites
8bcjB

K

N

V

V

A

M

L

L

I

I

T

T

G
|
G

G

A

D
x
S

S
x
R

G
|
G

I
|
I

G

G

R

A

A

A

V

T

A

A

I

L

A

L

Y

A

A

A

K

E

E

R

G

G

A

Y

D

A

V

V

A

V

F

L

V

N

Y

Y

L
|
L

S
x
R

E
x
N

H

R

G

E

D

A

A

A

E

E

E

A

T

L

K

R

N

Q

L

R

V

I

E

E

E

R

Q

Q

G

G

R

G

R

E

A

A

V

L

S

A

I

V

A

A

G
x
A

D
|
D

I
x
V

T

A

D

E

E

E

A

G

F

D

C

V

Q

E

R

R

A

L

I

F

Q

A

Q

S

T

I

V

D

D

E

E

R

F

F

G

G

K

R

L

L

D

D

I

V

L

L

I

V

N

N

N
|
N

A
|
A

A
x
G

E

M

Q

L

H

E

P

A

Q

Q

E

T

S

R

I

L

E

E

D

N

I

I

T

D

K

A

E

A

Q

R

L

L

E

H

R

R

T

V

F

F

S

A

T
|
T

N

N

I

V

F

T

S

G

M

S

F

F

Y

L

L

C

T

A

K

R

A

E

A

A

L

V

K

K

H

R

L

L

K

S

-

T

-

R

-

H

-

G

Q

R

G

G

S

G

A

S

I

I

I

V

N

N

T
x
V

T

S

S
|
S

V

M

T

A

A

S

Y

R

K

L

G

G

S

S

-

P

S

N

H

E

L

Y

L

I

D

D

Y
|
Y

S

A

A

A

T

A

K
|
K

G

G

A

A

I

I

V

D

A

S

F

M

T

T

R

I

S

G

L

L

S

A

Q

R

N

E

L

V

I

A

S

A

K

E

G

G

I

I

R

R

V

V

N

N

A

A

V

V

A

R

P
|
P

G
|
G

P

L

I
|
I

W

D

T
|
T

P

E

L
x
I

I
x
H

P

A

S

S

T

G

F

G

P

E

T

P

E

G

K

R

V

I

E

E

T

R

F

L

G

K

K

G

Q

G

V

I

P

P

M

L

Q

G

R

R

A

G

G

G

Q

T

P

A

E

E

V

V

A

A

P

R

S

A

Y

I

V

L

F

W

L

L

A

A

S

S

D

D

D

E

S

A

S

S

Y

Y

M

S

S

T

G

G

Q

T

V

F

L

I

H

D

P

V

N

S

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G48), S13 (≠ D50), R14 (≠ S51), G15 (= G52), I16 (= I53), L36 (= L73), R37 (≠ S74), N38 (≠ E75), A61 (≠ G98), D62 (= D99), V63 (≠ I100), N89 (= N126), A90 (= A127), G91 (≠ A128), T113 (= T150), V143 (≠ T175), S145 (= S177), Y159 (= Y190), K163 (= K194), P189 (= P220), G190 (= G221), I192 (= I223), T194 (= T225), I196 (≠ L227), H197 (≠ I228)

4iqgD Crystal structure of bpro0239 oxidoreductase from polaromonas sp. Js666 in NADP bound form
38% identity, 84% coverage: 42:281/285 of query aligns to 3:248/248 of 4iqgD

query
sites
4iqgD

K

K

V

V

A

V

L

L

I

I

T

T

G
|
G

G

G

D
x
S

S
x
R

G
|
G

I
|
I

G

G

R

A

A

A

V

S

A

A

I

L

A

L

Y

A

A

A

K

R

E

Q

G

G

A

Y

D

A

V

V

A

A

F

V

V
x
N

Y

Y

L
x
A

S
|
S

E
x
N

H

S

G

A

D

A

A

A

E

D

E

E

T

V

K

V

N

R

L

Q

V

I

E

R

E

E

Q

A

G

G

R

G

R

Q

A

A

V

L

S

A

I

V

A

Q

G
x
A

D
|
D

I
x
V

T

A

D

K

E

E

A

R

F

E

C

V

Q

L

R

-

A

A

I

M

Q

F

Q

E

T

T

V

V

D

D

-

A

E

Q

F

L

G

G

K

R

L

L

D

S

I

A

L

L

I

V

N

N

N
|
N

A
|
A

A
x
G

E

V

Q

V

H

D

P

Q

Q

T

E

T

S

R

I

V

E

D

D

G

I

I

T

T

K

L

E

E

Q

R

L

L

E

Q

R

R

T

M

F

F

S

E

T

I

N
|
N

I

V

F

F

S

G

M

S

F

F

Y

L

L

C

T

A

K

R

A

E

A

A

L

V

K

K

H

R

L

M

K

S

-

T

-

R

-

Y

-

G

Q

S

G

G

S

G

A

S

I

I

I

V

N

N

T
x
V

T

S

S
|
S

V

A

T

A

A

A

Y

R

K

L

G

G

S

S

-

P

S

G

H

Q

L
x
Y

L

V

D

D

Y
|
Y

S

A

A

A

T

A

K
|
K

G

G

A

A

I

I

V

D

A

T

F

F

T

T

R

L

S

G

L

L

S

A

Q

K

N

E

L

V

I

A

S

T

K

E

G

G

I

I

R

R

V

V

N

N

A

A

V

V

A

R

P
|
P

G
|
G

P

I

I
|
I

W

E

T
|
T

P

D

L
x
I

I
x
H

P

A

S

S

T

G

F

G

P

L

T

P

E

N

K

R

V

A

E

R

T

D

F

V

G

A

K

P

Q

Q

V

V

P

P

M

M

Q

Q

R

R

A

A

G

G

Q

T

P

A

E

R

E

E

V

V

A

A

P

E

S

A

Y

I

V

V

F

W

L

L

A

L

S

G

D

D

D

Q

S

A

S

S

Y

Y

M

T

S

T

G

G

Q

A

V

L

L

L

H

D

P

V

N

T

G

G

E

R

active site: G13 (= G52), N112 (= N151), S143 (= S177), Y154 (≠ L187), Y157 (= Y190), K161 (= K194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G9 (= G48), S11 (≠ D50), R12 (≠ S51), G13 (= G52), I14 (= I53), N32 (≠ V71), A34 (≠ L73), S35 (= S74), N36 (≠ E75), A59 (≠ G98), D60 (= D99), V61 (≠ I100), N87 (= N126), A88 (= A127), G89 (≠ A128), V141 (≠ T175), S143 (= S177), Y157 (= Y190), K161 (= K194), P187 (= P220), G188 (= G221), I190 (= I223), T192 (= T225), I194 (≠ L227), H195 (≠ I228)

3ay6B Crystal structure of bacillus megaterium glucose dehydrogenase 4 a258f mutant in complex with nadh and d-glucose (see paper)
35% identity, 85% coverage: 39:280/285 of query aligns to 11:255/267 of 3ay6B

query
sites
3ay6B

L

L

K

K

D

D

K

K

V

V

A

V

L

V

I

I

T

T

G
|
G

G

G

D

S

S
x
T

G
|
G

I
x
L

G

G

R

R

A

A

V

M

A

A

I

V

A

R

Y

F

A

G

K

Q

E

E

G

E

A

A

D

K

V

V

A

V

F

I

V

N

Y

Y

L
x
Y

S

N

E

N

H

E

G

E

D

E

A

A

E

L

E

D

T

A

K

K

N

K

L

E

V

V

E

E

Q

A

G

G

R

G

R

Q

A

A

V

I

S

I

I

V

A

Q

G

G

D
|
D

I
x
V

T

T

D

K

E

E

A

E

F

D

C

V

Q

V

R

N

A

L

I

V

Q

Q

Q

T

T

A

V

I

D

K

E

E

F

F

G

G

K

T

L

L

D

D

I

V

L

M

I

I

N

N

N
|
N

A
|
A

A
x
G

E
x
V

Q
x
E

H

N

P

P

Q

V

E

P

S

S

I

H

E

E

D

-

I

L

T

S

K

L

E

D

Q

N

L

W

E

N

R

K

T

V

F

I

S

D

T

T

N

N

I

L

F

T

S

G

M

A

F

F

Y

L

L

G

T

S

K

R

A

E

A

A

L

I

K

K

H

Y

L

F

K

V

Q

E

G

N

S

D

A

I

-

K

-

G

-

N

I

V

I

I

N

N

T
x
M

T

S

S
|
S

V

V

T
x
H

A

E

Y

M

K

I

G

P

S
x
W

S

P

H

L

L

F

L

V

D

H

Y
|
Y

S

A

A

A

T

S

K
|
K

G

G

A

G

I

M

V

K

A

L

F

M

T

T

R

E

S

T

L

L

S

A

Q

L

N

E

L

Y

I

A

S

P

K

K

G

G

I

I

R

R

V

V

N

N

A

N

V

I

A

G

P
|
P

G
|
G

P

A

I
x
M

W

N

T
|
T

P
|
P

L
x
I

I
x
N

P

A

S

E

T
x
K

F

F

-

A

-

D

P

P

T

V

E

Q

K

R

V

A

E

D

T

V

F

-

G

E

K

S

Q

M

V

I

P

P

M

M

Q

G

R

Y

A

I

G

G

Q

K

P

P

E

E

V

V

A

A

P

A

S

V

Y

A

V

A

F

F

L

L

A

A

S

S

D

S

D

Q

S

A

S

S

Y

Y

M

V

S

T

G

G

Q

I

V

T

L

L

H

F

P

A

N

D

G

G

active site: G24 (= G52), S151 (= S177), Y164 (= Y190), K168 (= K194)
binding beta-D-glucopyranose: E102 (≠ Q130), S151 (= S177), H153 (≠ T179), W158 (≠ S184), Y164 (= Y190), N202 (≠ I228), K205 (≠ T231)
binding 1,4-dihydronicotinamide adenine dinucleotide: G20 (= G48), T23 (≠ S51), G24 (= G52), L25 (≠ I53), Y45 (≠ L73), D71 (= D99), V72 (≠ I100), N98 (= N126), A99 (= A127), G100 (≠ A128), V101 (≠ E129), M149 (≠ T175), S151 (= S177), Y164 (= Y190), K168 (= K194), P194 (= P220), G195 (= G221), M197 (≠ I223), T199 (= T225), P200 (= P226), I201 (≠ L227), N202 (≠ I228)

Q9LBG2 Levodione reductase; (6R)-2,2,6-trimethyl-1,4-cyclohexanedione reductase; EC 1.1.1.- from Leifsonia aquatica (Corynebacterium aquaticum) (see paper)
35% identity, 86% coverage: 38:281/285 of query aligns to 10:263/267 of Q9LBG2

query
sites
Q9LBG2

K

R

L

F

K

T

D

D

K

R

V

V

A

V

L
|
L

I
|
I

T
|
T

G
|
G

D
x
G

S
|
S

G
|
G

I
x
L

G
|
G

R
|
R

A
|
A

V
x
T

A
|
A

I
x
V

A
x
R

Y
x
L

A
|
A

K
x
A

E
|
E

G
|
G

A
|
A

D
x
K

V
x
L

A
x
S

F
x
L

V

V

Y

D

L

V

S

S

E

S

H

E

G

G

D

-

A

L

E

E

E

A

T

S

K

K

N

A

L

A

V

V

E

L

E

E

Q

T

G

A

R

P

R

D

A

A

-

E

-

V

V

L

S

T

I

T

A

V

G

A

D

D

I

V

T

S

D

D

E

E

A

A

F

Q

C

V

Q

E

R

A

A

Y

I

V

Q

T

Q

A

T

T

V

T

D

E

E

R

F

F

G

G

K

R

L

I

D

D

I

G

L

F

I

F

N

N

A

A

A

G

E

I

Q
x
E

H

G

P

K

Q

Q

E

N

S

P

I

T

E

E

D

S

I

F

T

T

K

A

E

A

Q

E

L

F

E

D

R

K

T

V

F

V

S

S

T

I

N

N

I

L

F

R

S

G

M

V

F

F

Y

L

L

G

T

L

K

E

A

K

A

V

L

L

K

K

H

I

L

M

K

R

-

E

Q

Q

G

G

S

S

A

G

-

M

I

V

N

N

T

T

T

A

S

S

V

V

T

G

A

G

Y

I

K

R

G

G

S

I

S

G

H

N

L

Q

L

S

D

G

Y

Y

S

A

A

A

T

A

K

K

G

H

A

G

I

V

V

V

A

G

F

L

T

T

R

R

S

N

L

S

S

A

Q

V

N

E

L

Y

I

G

S

R

K

Y

G

G

I

I

R

R

V

I

N

N

A

A

V

I

A

A

P

P

G

G

P

A

I

I

W

W

T

T

P

P

L

M

I

V

P

E

S

N

T

S

F

M

-

K

-

Q

-

L

-

D

-

P

-

E

-

N

P

P

T

R

E

K

K

A

V

A

E

E

T

E

F

F

G

I

K

Q

Q

V

V

N

P

P

M

S

Q

K

R

R

A

Y

G

G

Q

E

P

A

E

P

E

E

V

I

A

A

P

A

S

V

Y

V

V

A

F

F

L

L

A

L

S

S

D

D

S

A

S

S

Y

Y

M

V

S

N

G

A

Q

T

V

V

L

V

H

P

P

I

N

D

G

G

E

Q

17:42 (vs. 45:70, 58% identical) binding NAD(+)
E103 (≠ Q130) mutation E->A,D,N,Q: 26-fold increase in Km and a much lower enantiomeric excess of the reaction products.

1iy8A Crystal structure of levodione reductase (see paper)
35% identity, 86% coverage: 38:281/285 of query aligns to 1:254/258 of 1iy8A

query
sites
1iy8A

K

R

L

F

K

T

D

D

K

R

V

V

A

V

L

L

I

I

T

T

G
|
G

G

G

D

G

S
|
S

G
|
G

I
x
L

G

G

R

R

A

A

V

T

A

A

I

V

A

R

Y

L

A

A

K

A

E

E

G

G

A

A

D

K

V

L

A

S

F

L

V

V

Y
x
D

L
x
V

S

S

E

S

H

E

G

G

D

-

A

L

E

E

E

A

T

S

K

K

N

A

L

A

V

V

E

L

E

E

Q

T

G

A

R

P

R

D

A

A

-

E

-

V

V

L

S

T

I

T

A

V

G
x
A

D
|
D

I
x
V

T

S

D

D

E

E

A

A

F

Q

C

V

Q

E

R

A

A

Y

I

V

Q

T

Q

A

T

T

V

T

D

E

E

R

F

F

G

G

K

R

L

I

D

D

I

G

L

F

I

F

N

N

N
|
N

A

A

A
x
G

E
x
I

Q

E

H

G

P

K

Q

Q

E

N

S

P

I

T

E

E

D

S

I

F

T

T

K

A

E

A

Q

E

L

F

E

D

R

K

T

V

F

V

S

S

T

I

N

N

I

L

F

R

S

G

M

V

F

F

Y

L

L

G

T

L

K

E

A

K

A

V

L

L

K

K

H

I

L

M

K

R

-

E

Q

Q

G

G

S

S

A

G

-

M

I

V

N

N

T
|
T

T

A

S
|
S

V

V

T

G

A

G

Y

I

K

R

G

G

S

I

S

G

H

N

L
x
Q

L

S

D

G

Y
|
Y

S

A

A

A

T

A

K
|
K

G

H

A

G

I

V

V

V

A

G

F

L

T

T

R

R

S

N

L

S

S

A

Q

V

N

E

L

Y

I

G

S

R

K

Y

G

G

I

I

R

R

V

I

N

N

A

A

V

I

A

A

P
|
P

G
|
G

P

A

I

I

W

W

T
|
T

P
|
P

L
x
M

I

V

P

E

S

N

T

S

F

M

-

K

-

Q

-

L

-

D

-

P

-

E

-

N

P

P

T

R

E

K

K

A

V

A

E

E

T

E

F

F

G

I

K

Q

Q

V

V

N

P

P

M

S

Q

K

R

R

A

Y

G

G

Q

E

P

A

E

P

E

E

V

I

A

A

P

A

S

V

Y

V

V

A

F

F

L

L

A

L

S

S

D

D

S

A

S

S

Y

Y

M

V

S

N

G

A

Q

T

V

V

L

V

H

P

P

I

N

D

G

G

E

Q

active site: G15 (= G52), S143 (= S177), Q153 (≠ L187), Y156 (= Y190), K160 (= K194)
binding nicotinamide-adenine-dinucleotide: G11 (= G48), S14 (= S51), G15 (= G52), L16 (≠ I53), D35 (≠ Y72), V36 (≠ L73), A62 (≠ G98), D63 (= D99), V64 (≠ I100), N90 (= N126), G92 (≠ A128), I93 (≠ E129), T141 (= T175), S143 (= S177), Y156 (= Y190), K160 (= K194), P186 (= P220), G187 (= G221), T191 (= T225), P192 (= P226), M193 (≠ L227)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
38% identity, 85% coverage: 38:280/285 of query aligns to 4:251/255 of 5itvA

query
sites
5itvA

K

N

L

L

K

T

D

D

K

K

V

T

A

V

L

L

I

I

T

T

G
|
G

G

G

D

A

S
|
S

G
|
G

I
|
I

G

G

R

Y

A

A

V

A

A

V

I

Q

A

A

Y

F

A

L

K

G

E

Q

G

Q

A

A

D

N

V

V

A

V

F

V

V

A

Y
x
D

L
x
I

S

D

E

E

-

A

H

Q

G

G

D

E

A

A

E

M

E

V

T

R

K

K

N

-

L

-

V

-

E

-

E

E

Q

N

G

N

R

D

R

R

A

L

V

H

S

F

I

V

A

Q

G
x
T

D

D

I
|
I

T

T

D

D

E

E

A

A

F

A

C

C

Q

Q

R

H

A

A

I

V

Q

E

Q

S

T

A

V

V

D

H

E

T

F

F

G

G

K

G

L

L

D

D

I

V

L

L

I

I

N

N

N
|
N

A

A

A
x
G

E

I

Q

E

H

-

P

I

Q

V

E

A

S

P

I

I

E

H

D

E

I

M

T

E

K

L

E

S

Q

D

L

W

E

N

R

K

T

V

F

L

S

Q

T

V

N

N

I

L

F

T

S

G

M

M

F

F

Y

L

L

M

T

S

K

K

A

H

A

A

L

L

K

K

H

H

L

M

K

L

Q

A

G

A

S

G

A

K

-

G

-

N

I

I

N

N

T
|
T

T

C

S
|
S

V

V

T

G

A

G

Y

L

K

V

G

A

S

W

S

P

H

D

L

I

L

P

D

A

Y
|
Y

S

N

A

A

T

S

K
|
K

G

G

A

G

I

V

V

L

A

Q

F

L

T

T

R

K

S

S

L

M

S

A

Q

V

N

D

L

Y

I

A

S

K

K

H

G

Q

I

I

R

R

V

V

N

N

A

C

V

V

A

C

P
|
P

G
|
G

P
x
I

I
|
I

W

D

T

T

P

P

L

L

I

N

P

E

S

K

T

S

F

F

P

L

T

E

E

N

K

N

V

E

E

G

T

T

F

L

-

E

-

I

-

K

-

E

-

K

G

A

K

K

Q

V

V

N

P

P

M

L

Q

L

R

R

A

L

G

G

Q

K

P

P

E

E

V

I

A

A

P

N

S

V

Y

M

V

L

F

F

L

L

A

A

S

S

D

D

D

L

S

S

Y

Y

M

M

S

T

G

G

Q

S

V

A

L

I

H

T

P

A

N

D

G

G

active site: G18 (= G52), S141 (= S177), Y154 (= Y190), K158 (= K194)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G48), S17 (= S51), G18 (= G52), I19 (= I53), D38 (≠ Y72), I39 (≠ L73), T61 (≠ G98), I63 (= I100), N89 (= N126), G91 (≠ A128), T139 (= T175), S141 (= S177), Y154 (= Y190), K158 (= K194), P184 (= P220), G185 (= G221), I186 (≠ P222), I187 (= I223)

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)
35% identity, 85% coverage: 38:280/285 of query aligns to 5:243/247 of 3op4A

query
sites
3op4A

K

N

L

L

K

E

D

G

K

K

V

V

A

A

L

L

I

V

T

T

G
|
G

G

A

D
x
S

S
x
R

G

G

I
|
I

G

G

R

K

A

A

V

I

A

A

I

E

A

L

Y

L

A

A

K

E

E

R

G

G

A

A

D

K

V

V

A

I

F

G

V

T

Y

A

L
x
T

S

S

E

E

H

S

G

G

D

-

A

A

E

Q

E

A

T

I

K

S

N

D

L

Y

V

L

E

G

E

D

Q

N

G

G

R

K

R

-

A

-

V

-

S

G

I

M

A

A

G

L

D
x
N

I
x
V

T

T

D

N

E

P

A

E

F

S

C

I

Q

E

R

A

A

V

I

L

Q

K

Q

A

T

I

V

T

D

D

E

E

F

F

G

G

K

G

L

V

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

A

G

E
x
I

Q

T

H

R

P

D

Q

N

E

L

S

L

I

M

E

R

D

-

I

M

T

K

K

E

E

E

Q

E

L

W

E

S

R

D

T

I

F

M

S

E

T

T

N

N

I

L

F

T

S

S

M

I

F

F

Y

R

L

L

T

S

K

K

A

A

A

V

L

L

K

R

H

G

L

M

-

M

-

K

K

K

Q

R

G

Q

S

G

A

R

I

I

N

N

T
x
V

T

G

S
|
S

V

V

T

V

A

G

Y

T

K

M

G

G

S

N

S

A

H

G

L

Q

L

A

D

N

Y
|
Y

S

A

A

A

T

A

K
|
K

G

A

A

G

I

V

V

I

A

G

F

F

T

T

R

K

S

S

L

M

S

A

Q

R

N

E

L

V

I

A

S

S

K

R

G

G

I

V

R

T

V

V

N

N

A

T

V

V

A

A

P
|
P

G
|
G

P

F

I
|
I

W

E

T
|
T

P

D

L
x
M

I

T

P

K

S

A

T

L

F

N

P

D

T

E

E

Q

K

R

V

T

E

A

T

T

F

L

G

-

K

A

Q

Q

V

V

P

P

M

A

Q

G

R

R

A

L

G

G

Q

D

P

P

E

R

E

E

V

I

A

A

P

S

S

A

Y

V

V

A

F

F

L

L

A

A

S

S

D

P

D

E

S

A

Y

Y

M

I

S

T

G

G

Q

E

V

T

L

L

H

H

P

V

N

N

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G48), S17 (≠ D50), R18 (≠ S51), I20 (= I53), T40 (≠ L73), N62 (≠ D99), V63 (≠ I100), N89 (= N126), A90 (= A127), I92 (≠ E129), V139 (≠ T175), S141 (= S177), Y154 (= Y190), K158 (= K194), P184 (= P220), G185 (= G221), I187 (= I223), T189 (= T225), M191 (≠ L227)

4bmsF Short chain alcohol dehydrogenase from ralstonia sp. Dsm 6428 in complex with NADPH
36% identity, 85% coverage: 38:280/285 of query aligns to 3:245/249 of 4bmsF

query
sites
4bmsF

K

R

L

L

K

L

D

N

K

K

V

T

A

A

L

V

I

I

T

T

G
|
G

G

G

D
x
N

S
|
S

G

G

I
|
I

G

G

R

L

A

A

V

T

A

A

I

K

A

R

Y

F

A

V

K

A

E

E

G

G

A

A

D

Y

V

V

A

F

F

I

V

V

Y

G

L
x
R

S
x
R

E

R

H

-

G

-

D

-

A

-

E

K

E

E

T

L

K

E

N

Q

L

A

V

A

E

A

E

E

Q

I

G

G

R

R

R

N

A

V

V

T

S

A

I

V

A

K

G
x
A

D
|
D

I
x
V

T

T

D

K

E

L

A

E

F

D

C

L

Q

D

R

R

A

L

I

Y

Q

A

Q

I

T

V

V

R

D

E

E

Q

F

R

G

G

K

S

L

I

D

D

I

V

L

L

I

F

N

A

N
|
N

A
x
S

A
x
G

E

A

Q

I

H

E

P

-

Q

Q

E

K

S

T

I

L

E

E

D

E

I

I

T

T

K

P

E

E

Q

H

L

Y

E

D

R

R

T

T

F

F

S

D

T
x
V

N

N

I

V

F

R

S

G

M

L

F

I

Y

F

L

T

T

V

K

Q

A

K

A

A

L

L

K

P

H

L

L

L

K

R

Q

D

G

G

S

G

A

S

I

V

I

I

N

L

T

T

T

S

S
|
S

V

V

T

A

A

G

Y

V

K

L

G

G

S

L

S

Q

H

A

L
x
H

L

D

D

T

Y
|
Y

S

S

A

A

T

A

K
|
K

G

A

A

A

I

V

V

R

A

S

F

L

T

A

R

R

S

T

L

W

S

T

Q

T

N

E

L

L

I

K

S

G

K

R

G

S

I

I

R

R

V

V

N

N

A

A

V

V

A

S

P

P

G
|
G

P

A

I
|
I

W

D

T
|
T

P

P

L
x
I

I

I

P

E

S

N

T

Q

F

V

P

S

T

T

-
x
Q

-

E

-

A

-

D

E

E

K

L

V

R

E

A

T

K

F

F

G

A

K

A

Q

A

V

T

P

P

M

L

Q

G

R

R

A

V

G

G

Q

R

P

P

E

E

V

L

A

A

P

A

S

A

Y

V

V

L

F

F

L

L

A

A

S

S

D

D

S

S

Y

Y

M

V

S

A

G

G

Q

I

V

E

L

L

H

F

P

V

N

D

G

G

active site: S137 (= S177), H147 (≠ L187), Y150 (= Y190), K154 (= K194), Q195 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G48), N15 (≠ D50), S16 (= S51), I18 (= I53), R38 (≠ L73), R39 (≠ S74), A59 (≠ G98), D60 (= D99), V61 (≠ I100), N87 (= N126), S88 (≠ A127), G89 (≠ A128), V110 (≠ T150), S137 (= S177), Y150 (= Y190), K154 (= K194), G181 (= G221), I183 (= I223), T185 (= T225), I187 (≠ L227)

4nbtA Crystal structure of fabg from acholeplasma laidlawii (see paper)
35% identity, 85% coverage: 38:280/285 of query aligns to 2:236/239 of 4nbtA

query
sites
4nbtA

K

K

L

L

K

E

D

G

K

K

V

V

A

A

L

V

I

I

T

T

G
|
G

G

G

D

A

S
x
K

G
|
G

I
x
L

G

G

R

Q

A

A

V

I

A

A

I

L

A

A

Y

Y

A

A

K

E

E

E

G

G

A

A

D

K

V

V

A

-

F

-

V

-

Y

I

L

A

S

G

E
x
D

H
x
L

G

G

D

D

A

L

E

T

E

Y

T

S

K

H

N

P

L

N

V

V

E

E

E

-

Q

-

G

-

R

-

A

-

V

-

S

G

I

M

A

Y

G
x
L

D
x
N

I
x
V

T

T

D

D

E

V

A

T

F

G

C

V

Q

E

R

K

A

F

I

Y

Q

Q

Q

S

T

V

V

I

D

D

E

K

F

Y

G

G

K

K

L

I

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

A
x
G

E

I

Q

T

H

K

P

D

Q

A

E

M

S

T

I

-

E

R

D

K

I

M

T

T

K

E

E

A

Q

Q

L

W

E

D

R

A

T

V

F

I

S

D

T

V

N

N

I

L

F

K

S

G

M

V

F

F

Y

N

L

L

T

T

K

R

A

L

A

V

L

G

K

P

H

Q

L

M

K

Q

Q

T

G

N

S

G

-

Y

-

G

A

S

I

I

N

N

T
x
I

T

S

S
|
S

V

V

T

V

A

G

Y

V

K

F

G

G

S

N

S

I

H

G

L

Q

L

A

D

N

Y
|
Y

S

A

A

A

T

T

K
|
K

G

A

A

G

I

V

V

I

A

G

F

L

T

T

R

M

S

T

L

W

S

A

Q

K

N

E

L

F

I

A

S

L

K

K

G

G

-

A

-

N

I

V

R

R

V

V

N

N

A

A

V

I

A

A

P
|
P

G
|
G

P

Y

I
|
I

W

M

T
|
T

P

D

L

I

I

L

P

-

S

K

T

T

F

V

P

P

T

Q

E

D

K

L

V

L

E

D

T

K

F

F

G

A

K

A

Q

L

V

T

P

M

M

L

Q

N

R

R

A

L

G

G

Q

Q

P

P

E

E

V

I

A

A

P

K

S

V

Y

A

V

L

F

F

L

L

A

A

S

S

D

D

S

A

S

S

Y

Y

M

V

S

T

G

G

Q

Q

V

T

L

I

H

N

P

V

N

N

G

G

active site: G16 (= G52), S132 (= S177), Y145 (= Y190), K149 (= K194)
binding nicotinamide-adenine-dinucleotide: G12 (= G48), K15 (≠ S51), G16 (= G52), L17 (≠ I53), D36 (≠ E75), L37 (≠ H76), L52 (≠ G98), N53 (≠ D99), V54 (≠ I100), N80 (= N126), A81 (= A127), G82 (≠ A128), I130 (≠ T175), S132 (= S177), Y145 (= Y190), K149 (= K194), P177 (= P220), G178 (= G221), I180 (= I223), T182 (= T225)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
36% identity, 86% coverage: 39:283/285 of query aligns to 3:247/247 of 4jroC

query
sites
4jroC

L

L

K

Q

D

G

K

K

V

V

A

A

L

V

I

V

T

T

G
|
G

G

G

D
x
S

S
x
R

G
|
G

I
|
I

G

G

R

R

A

D

V

I

A

A

I

I

A

N

Y

L

A

A

K

K

E

E

G

G

A

A

D

N

V

I

A

F

F

F

V
x
N

Y
|
Y

L
x
N

S
x
G

E
x
S

H

P

G

E

D

A

A

A

E

E

T

T

K

A

N

K

L

L

V

V

E

A

E

E

Q

H

G

G

-

V

-

E

-

V

-

E

-

A

-

M

R

K

R

A

A
x
N

V
|
V

S

A

I

I

A

A

G

E

D

D

I

V

T

-

D

-

E

D

A

A

F

F

C

F

Q

K

R

Q

A

A

I

I

Q

E

Q

R

T

-

V

-

D

-

E

-

F

F

G

G

K

R

L

V

D

D

I

I

L

L

I

V

N

N

N
|
N

A
|
A

A

G

E
x
I

Q

T

H

R

P

D

Q

N

E

L

S

L

I

M

E

R

D

-

I

M

T

K

K

E

E

D

Q

E

L

W

E

D

R

D

T

V

F

I

S

N

T
x
I

N

N

I

L

F

K

S

G

M

T

F

F

Y

L

L

C

T

T

K

K

A

A

A

V

L

S

K

R

H

T

L

M

K

M

Q

K

G

Q

S

R

A

A

-

G

-

K

I

I

N

N

T

M

T

A

S
|
S

V

V

T

V

A

G

Y

L

K

I

G

G

S

N

S

A

H

G

L
x
Q

L

A

D

N

Y
|
Y

S

V

A

A

T

S

K
|
K

G

A

A

G

I

V

V

I

A

G

F

L

T

T

R

K

S

T

L

T

S

A

Q

R

N

E

L

L

I

A

S

P

K

R

G

G

I

I

R

N

V

V

N

N

A

A

V

V

A

A

P
|
P

G

G

P

F

I
|
I

W

T

T
|
T

P

D

L

M

I

T

P

D

S

K

T

L

F

D

P

E

T

K

E

T

K

K

V

-

E

E

T

A

F

M

G

L

K

A

Q

Q

V

I

P

P

M

L

Q

G

R

A

A

Y

G

G

Q

T

P

T

E

E

E

D

V

I

A

A

P

N

S

A

Y

V

V

L

F

F

L

L

A

A

S

S

D

D

D

A

S

S

S

K

Y

Y

M

I

S

T

G

G

Q

Q

V

T

L

L

H

S

P

V

N

D

G

G

E

M

V

V

V

M

active site: G16 (= G52), S142 (= S177), Q152 (≠ L187), Y155 (= Y190), K159 (= K194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G48), S14 (≠ D50), R15 (≠ S51), G16 (= G52), I17 (= I53), N35 (≠ V71), Y36 (= Y72), N37 (≠ L73), G38 (≠ S74), S39 (≠ E75), N63 (≠ A93), V64 (= V94), N90 (= N126), A91 (= A127), I93 (≠ E129), I113 (≠ T150), S142 (= S177), Y155 (= Y190), K159 (= K194), P185 (= P220), I188 (= I223), T190 (= T225)

8w0oA Gdh-105 crystal structure
36% identity, 85% coverage: 39:280/285 of query aligns to 5:249/259 of 8w0oA

query
sites
8w0oA

L

L

K

K

D

G

K

K

V

V

A

V

L

A

I

I

T

T

G
|
G

G

A

D

A

S
|
S

G
|
G

I
x
L

G

G

R

K

A

A

V

M

A

A

I

I

A

R

Y

F

A

G

K

K

E

E

G

Q

A

A

D

K

V

V

A

V

F

I

V

N

Y

Y

L
x
Y

S

S

E

N

H

K

G
x
Q

D

D

A

P

E

N

E

E

T

V

K

K

N

E

L

E

V

V

E

I

E

K

Q

A

G

G

R

G

R

E

A

A

V

V

S

V

I

V

A

Q

G

G

D
|
D

I
x
V

T

T

D

K

E

E

A

E

F

D

C

V

Q

K

R

N

A

I

I

V

Q

Q

Q

T

T

A

V

I

D

K

E

E

F

F

G

G

K

T

L

L

D

D

I

I

L

M

I

I

N

N

N
|
N

A
|
A

A
x
G

E

L

Q

E

H

N

P

P

Q

V

E

P

S

S

I

H

E

E

D

M

I

P

T

L

K

K

E

D

Q

-

L

W

E

D

R

K

T

V

F

I

S

G

T

T

N

N

I

L

F

T

S

G

M

A

F

F

Y

L

L

G

T

S

K

R

A

E

A

A

L

I

K

K

H

Y

L

F

K

V

Q

E

G

N

S

D

A

I

-

K

-

G

-

N

I

V

I

I

N

N

T
x
M

T

S

S

S

V

V

T

H

A

E

Y

V

K

I

G

P

S

W

S

P

H

L

L

F

L

V

D

H

Y
|
Y

S

A

A

A

T

S

K
|
K

G

G

A

G

I

M

V

K

A

L

F

M

T

T

R

K

S

T

L

L

S

A

Q

L

N

E

L

Y

I

A

S

P

K

K

G

G

I

I

R

R

V

V

N

N

A

N

V

I

A

G

P
|
P

G
|
G

P

A

I
|
I

W

N

T
|
T

P

T

L

I

I

N

P

A

S

E

T

K

F

F

-

A

-

D

P

P

T

K

E

Q

K

K

V

A

E

D

T

V

F

-

G

E

K

S

Q

M

V

I

P

P

M

M

Q

G

R

Y

A

I

G

G

Q

E

P

P

E

E

V

I

A

A

P

A

S

V

Y

A

V

A

F

W

L

L

A

A

S

S

D

K

D

E

S

A

S

S

Y

Y

M

V

S

T

G

G

Q

I

V

T

L

L

H

F

P

A

N

D

G

G

binding nicotinamide-adenine-dinucleotide: G14 (= G48), S17 (= S51), G18 (= G52), L19 (≠ I53), Y39 (≠ L73), Q43 (≠ G77), D65 (= D99), V66 (≠ I100), N92 (= N126), A93 (= A127), G94 (≠ A128), M143 (≠ T175), Y158 (= Y190), K162 (= K194), P188 (= P220), G189 (= G221), I191 (= I223), T193 (= T225)

2ewmB Crystal structure of the (s)-specific 1-phenylethanol dehydrogenase of the denitrifying bacterium strain ebn1 (see paper)
35% identity, 86% coverage: 38:282/285 of query aligns to 2:245/247 of 2ewmB

query
sites
2ewmB

K

R

L

L

K

K

D

D

K

K

V

L

A

A

L

V

I

I

T

T

G
|
G

G

G

D

A

S
x
N

G
|
G

I
|
I

G

G

R

R

A

A

V

I

A

A

I

E

A

R

Y

F

A

A

K

V

E

E

G

G

A

A

D

D

V

I

A

A

F

I

V

A

Y
x
D

L
|
L

S

V

E

P

H

A

G

P

D

E

A

A

E

E

E

A

T

A

K

-

N

-

L

-

V

I

E

R

E

N

Q

L

G

G

R

R

A

V

V

L

S

T

I

V

A

K

G
x
C

D
|
D

I
x
V

T

S

D

Q

E

P

A

G

F

D

C

V

Q

E

R

A

A

F

I

G

Q

K

Q

Q

T

V

V

I

D

S

E

T

F

F

G

G

K

R

L

C

D

D

I

I

L

L

I

V

N

N

N
|
N

A

A

A

G

E

-

Q

I

H

Y

P

P

Q

L

E

I

S

P

I

F

E

D

D

E

I

L

T

T

K

F

E

E

Q

Q

L

W

E

K

R

K

T

T

F

F

S

E

T

I

N

N

I

V

F

D

S

S

M

G

F

F

Y

L

L

M

T

A

K

K

A

A

A

F

L

V

K

P

H

G

L

M

K

K

Q

R

G

N

S

G

A

W

-

G

-

R

I

I

N

N

T

L

T

T

S
|
S

V

T

T

T

A

Y

Y

W

K

L

G

K

S

I

S

E

H

A

L
x
Y

L

T

D

H

Y
|
Y

S

I

A

S

T

T

K
|
K

G

A

A

A

I

N

V

I

A

G

F

F

T

T

R

R

S

A

L

L

S

A

Q

S

N

D

L

L

I

G

S

K

K

D

G

G

I

I

R

T

V

V

N

N

A

A

V

I

A

A

P
|
P

G
x
S

P
x
L

I
x
V

W

R

T

T

P

A

L
x
T

I

T

P

E

S

A

T

S

F

A

P

L

T

S

E

A

K

M

V

F

E

D

T

V

F

L

G

P

K

N

Q

M

V

L

-

Q

P

A

M

I

Q

P

R

R

A

L

G

Q

Q

V

P

P

E

L

E

D

V

L

A

T

P

G

S

A

Y

A

V

A

F

F

L

L

A

A

S

S

D

D

S

A

S

S

Y

F

M

I

S

T

G

G

Q

Q

V

T

L

L

H

A

P

V

N

D

G

G

E

M

V

V

active site: G16 (= G52), S139 (= S177), Y149 (≠ L187), Y152 (= Y190), K156 (= K194)
binding nicotinamide-adenine-dinucleotide: G12 (= G48), N15 (≠ S51), G16 (= G52), I17 (= I53), D36 (≠ Y72), L37 (= L73), C59 (≠ G98), D60 (= D99), V61 (≠ I100), N87 (= N126), S139 (= S177), Y152 (= Y190), K156 (= K194), P182 (= P220), S183 (≠ G221), L184 (≠ P222), V185 (≠ I223), T189 (≠ L227)

Q5P5I4 (S)-1-Phenylethanol dehydrogenase; EC 1.1.1.311 from Aromatoleum aromaticum (strain DSM 19018 / LMG 30748 / EbN1) (Azoarcus sp. (strain EbN1)) (see 2 papers)
35% identity, 86% coverage: 38:282/285 of query aligns to 4:247/249 of Q5P5I4

query
sites
Q5P5I4

K

R

L

L

K

K

D

D

K

K

V

L

A

A

L

V

I

I

T

T

G

G

D

A

S
x
N

G
|
G

I
|
I

G

G

R

R

A

A

V

I

A

A

I

E

A

R

Y

F

A

A

K

V

E

E

G

G

A

A

D

D

V

I

A

A

F

I

V

A

Y
x
D

L

L

S

V

E

P

H

A

G

P

D

E

A

A

E

E

E

A

T

A

K

-

N

-

L

-

V

I

E

R

E

N

Q

L

G

G

R

R

A

V

V

L

S

T

I

V

A

K

G
x
C

D
|
D

I
x
V

T

S

D

Q

E

P

A

G

F

D

C

V

Q

E

R

A

A

F

I

G

Q

K

Q

Q

T

V

V

I

D

S

E

T

F

F

G

G

K

R

L

C

D

D

I

I

L

L

I

V

N

N

N
|
N

A

A

A

G

E

-

Q

I

H
x
Y

P

P

Q

L

E

I

S

P

I

F

E

D

D

E

I

L

T

T

K

F

E

E

Q

Q

L

W

E

K

R

K

T

T

F

F

S

E

T

I

N

N

I

V

F

D

S

S

M

G

F

F

Y

L

L

M

T

A

K

K

A

A

A

F

L

V

K

P

H

G

L

M

K

K

Q

R

G

N

S

G

A

W

-

G

-

R

I

I

N

N

T

L

T

T

S

S

V

T

T

T

A

Y

Y

W

K

L

G

K

S

I

S

E

H

A

L

Y

L

T

D

H

Y

Y

S

I

A

S

T

T

K
|
K

G

A

A

A

I

N

V

I

A

G

F

F

T

T

R

R

S

A

L

L

S

A

Q

S

N

D

L

L

I

G

S

K

K

D

G

G

I

I

R

T

V

V

N

N

A

A

V

I

A

A

P
|
P

G
x
S

P
x
L

I
x
V

W

R

T

T

P

A

L
x
T

I

T

P

E

S

A

T

S

F

A

P

L

T

S

E

A

K

M

V

F

E

D

T

V

F

L

G

P

K

N

Q

M

V

L

-

Q

P

A

M

I

Q

P

R

R

A

L

G

Q

Q

V

P

P

E

L

E

D

V

L

A

T

P

G

S

A

Y

A

V

A

F

F

L

L

A

A

S

S

D

D

S

A

S

S

Y

F

M

I

S

T

G

G

Q

Q

V

T

L

L

H

A

P

V

N

D

G

G

E

M

V

V

NGI 17:19 (≠ SGI 51:53) binding NAD(+)
D38 (≠ Y72) binding NAD(+)
CDV 61:63 (≠ GDI 98:100) binding NAD(+)
N89 (= N126) binding NAD(+)
Y93 (≠ H131) binding NAD(+)
K158 (= K194) binding NAD(+)
PSLV 184:187 (≠ PGPI 220:223) binding NAD(+)
T191 (≠ L227) binding NAD(+)

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

Query Sequence

>WP_011319210.1 NCBI__GCF_000204075.1:WP_011319210.1
MAEKQTLQPPQQQKTPGTESKMQPKPQADDARYLGSGKLKDKVALITGGDSGIGRAVAIA
YAKEGADVAFVYLSEHGDAEETKNLVEEQGRRAVSIAGDITDEAFCQRAIQQTVDEFGKL
DILINNAAEQHPQESIEDITKEQLERTFSTNIFSMFYLTKAALKHLKQGSAIINTTSVTA
YKGSSHLLDYSATKGAIVAFTRSLSQNLISKGIRVNAVAPGPIWTPLIPSTFPTEKVETF
GKQVPMQRAGQPEEVAPSYVFLASDDSSYMSGQVLHPNGGEVVNG

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