SitesBLAST

G12 (= G17) binding NADP(+)
S14 (= S19) binding NADP(+)
R15 (≠ S20) binding NADP(+); mutation to T: Increases specificity toward NAD(+). Shows a strong decrease in catalytic efficiency with NADP(+).
I17 (= I22) binding NADP(+)
S37 (≠ N42) binding NADP(+); mutation to H: Increases specificity toward NAD(+). Shows a strong decrease in catalytic efficiency with NADP(+) and an increase in catalytic efficiency with NAD(+).
D66 (= D68) binding NADP(+)
A67 (≠ F69) binding NADP(+)
N93 (= N95) binding NADP(+)
F99 (≠ K101) mutation F->A,Y: Shows a strong decrease in catalytic efficiency with L-rhamnose, L-lyxose and L-mannose.
S146 (= S149) binding beta-L-rhamnose
S148 (≠ H151) binding beta-L-rhamnose
Q156 (≠ F159) binding beta-L-rhamnose; mutation to A: Almost loss of activity with L-rhamnose as substrate.
Y159 (= Y162) binding beta-L-rhamnose; binding NADP(+)
K163 (= K166) binding NADP(+)
T191 (≠ V194) binding beta-L-rhamnose; mutation to F: Retains 4% of wild-type activity with L-rhamnose as substrate.
I192 (≠ V195) binding NADP(+)
I196 (≠ R199) mutation to A: Shows a strong decrease in catalytic efficiency with L-rhamnose as substrate, but does not affect catalytic efficiency with L-lyxose and L-mannose.
N197 (≠ T200) binding beta-L-rhamnose
D200 (≠ I203) mutation to A: Retains 16% of wild-type activity with L-rhamnose as substrate.; mutation to H: Retains 22% of wild-type activity with L-rhamnose as substrate.

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
33% identity, 92% coverage: 8:255/269 of query aligns to 3:246/247 of 4jroC

query
sites
4jroC

L

L

N

Q

N

G

K

K

R

V

V

A

L

V

I

V

T

T

G
|
G

A

G

S
|
S

S
x
R

G
|
G

I
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I

G

G

A

R

G

D

I

I

A

A

R

I

V

N

L

L

A

A

R

K

E

E

G

G

C

A

R

N

L

I

V

F

L

F

H
x
N

Y
|
Y

N
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N

R
x
G

N
x
S

E

P

A

E

G

A

I

A

E

E

K

E

T

T

L

A

S

K

D

L

V

V

Q

A

A

E

L

H

G

G

A

V

E

E

A

V

E

E

V

A

L

M

H

K

C

A

D
x
N

F
x
V

R

A

E

I

L

A

D

E

R

D

V

V

V

D

P

A

F

F

E

K

A

Q

A

A

W

I

Q

E

A

R

F

F

N

G

G

R

L

V

D

D

A

I

L

L

I

V

N

N

N
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N

A
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A

G

G

I
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I

V

T

S

R

K

D

V

N

T

L

S

L

L

M

K

R

D

M

P

K

H

E

G

D

E

E

A

-

F

W

D

D

E

D

V

V

L

I

A

N

V
x
I

N

N

L

L

Q

K

A

G

P

T

Y

F

R

-

L

L

A

C

T

T

A

K

F

A

A

V

Q

S

H

R

C

T

I

M

E

M

A

K

G

Q

H

R

G

A

G

G

V

K

V

I

N

N

N

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S

A

S
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S

I

V

H

V

G

G

Q

L

K

I

S

G

C

N

E

A

W

G

F
x
Q

S

A

A

N

Y
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Y

G

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A

A

A

S

K
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K

A

A

G

G

L

V

D

I

R

G

L

L

T

T

E

K

V

T

Q

T

A

A

I

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E

E

W

L

G

A

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P

H

R

G

G

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I

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N

L

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V

N

G

A

I

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A

A

P
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P

G

G

V

F

V
x
I

P

T

V
x
T

E

D

R

M

T

T

E

D

V

K

I

L

L

-

S

-

Q

D

P

E

P

K

V

T

K

K

D

E

R

A

W

M

M

L

K

A

C

Q

T

I

P

P

L

L

G

G

R

A

Y

Y

G

G

T

T

D

E

E

D

M

I

G

A

E

N

A

A

V

V

A

L

F

F

L

L

I

A

S

S

D

D

R

A

A

S

A

K

W

Y

M

I

T

T

G

G

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I

T

L

L

T

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D

D

G

G

L

M

I

V

active site: G16 (= G21), S142 (= S149), Q152 (≠ F159), Y155 (= Y162), K159 (= K166)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G17), S14 (= S19), R15 (≠ S20), G16 (= G21), I17 (= I22), N35 (≠ H40), Y36 (= Y41), N37 (= N42), G38 (≠ R43), S39 (≠ N44), N63 (≠ D68), V64 (≠ F69), N90 (= N95), A91 (= A96), I93 (= I98), I113 (≠ V119), S142 (= S149), Y155 (= Y162), K159 (= K166), P185 (= P192), I188 (≠ V195), T190 (≠ V197)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
33% identity, 93% coverage: 7:256/269 of query aligns to 3:251/252 of 1vl8B

query
sites
1vl8B

E

D

L

L

N

R

N

G

K

R

R

V

V

A

L

L

I

V

T

T

G
|
G

A

G

S

S

S
x
R

G
|
G

I
x
L

G

G

A

F

G

G

I

I

A

A

R

Q

V

G

L

L

A

A

R

E

E

A

G

G

C

C

R

S

L

V

V

V

L

V

H

A

Y
x
S

N
x
R

R

N

N

L

E

E

A

E

G

A

I

S

E

E

K

A

T

A

L

Q

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Y

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G

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E

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D

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D

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P

K

F

L

E

E

A

A

A

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A

K

F

F

N

G

G

K

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L

D

D

A

T

L

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V

N

N

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x
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A

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G

I
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I

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A

L

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K

E

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L

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D

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A

-

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F

D

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L

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V

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N

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L

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A

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T

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A

A

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L

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E

E

A

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D

H

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x
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I

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Y

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A

A

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K

A

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G

G

L

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A

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L

T

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A

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L

A

A

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E

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W

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H

Y

G

G

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I

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R

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N

G

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A

A

P
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P

G
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G

V

W

V
x
Y

P

R

V
x
T

E

K

R
x
M

T
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T

E

E

V

A

I

V

L

F

S

S

Q

D

P

P

P

E

V

K

K

L

D

D

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M

M

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K

C

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T

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P

L

L

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G

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R

Y

T

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G

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T

P

D

E

E

D

M

L

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K

E

G

A

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V

A

A

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F

F

L

L

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A

A

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D

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G

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W

I

T

A

A

active site: G17 (= G21), S143 (= S148), I154 (≠ F159), Y157 (= Y162), K161 (= K166)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G17), R16 (≠ S20), G17 (= G21), L18 (≠ I22), S37 (≠ Y41), R38 (≠ N42), C63 (= C67), D64 (= D68), V65 (≠ F69), A91 (≠ N95), A92 (= A96), G93 (= G97), I94 (= I98), V114 (= V119), I141 (≠ N146), S143 (= S148), Y157 (= Y162), K161 (= K166), P187 (= P192), G188 (= G193), Y190 (≠ V195), T192 (≠ V197), M194 (≠ R199), T195 (= T200)

8w0oA Gdh-105 crystal structure
31% identity, 93% coverage: 4:254/269 of query aligns to 1:250/259 of 8w0oA

query
sites
8w0oA

L

M

Y

Y

P

P

E

D

L

L

N

K

N

G

K

K

R

V

V

V

L

A

I

I

T

T

G
|
G

A

A

S

A

S
|
S

G
|
G

I
x
L

G

G

A

K

G

A

I

M

A

A

R

I

V

R

L

F

A

G

R

K

E

E

G

Q

C

A

R

K

L

V

V

V

L

I

H

N

Y

Y

N
x
Y

R

S

N

N

E

K

A
x
Q

G

D

I

P

E

N

K

E

T

V

L

K

S

E

D

E

V

V

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I

A

K

L

A

G

G

A

G

E

E

A

A

E

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H

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D
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D

F
x
V

R

T

E

K

L

E

D

E

R

D

V

V

V

K

P

N

F

I

F

V

E

Q

A

T

A

A

W

I

Q

K

A

E

F

F

N

G

G

T

L

L

D

D

A

I

L

M

I

I

N

N

N
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N

A
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A

G
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G

I

L

V

E

S

N

K

P

V

V

T

P

S

S

L

H

K

E

D

M

P

P

H

L

G

K

E

D

A

-

F

W

D

D

E

K

V

V

L

I

A

G

V

T

N

N

L

L

Q

T

A

G

P

A

Y

F

R

L

L

G

A

S

T

R

A

E

F

A

A

I

Q

K

H

Y

C

F

I

V

E

E

A

N

G

D

H

I

G

K

G

G

V

N

V

V

V

I

N

N

N
x
M

S

S

I

V

H

H

G

E

Q

V

K

I

S

P

C

W

E

P

W

L

F

F

S

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A

H

Y
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Y

G

A

A

A

A

S

K
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K

A

G

G

G

L

M

D

K

R

L

L

M

T

T

E

K

V

T

Q

L

A

A

I

L

E

E

W

Y

G

A

P

P

H

K

G

G

I

I

R

R

L

V

V

N

G

N

I

I

A

G

P
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P

G
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G

V

A

V
x
I

P

N

V
x
T

E

T

R

I

T

N

E

A

V

E

I

K

L

F

S

A

Q

D

P

P

P

K

V

Q

K

K

D

A

R

D

W

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M

E

K

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C

M

T

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P

P

L

M

G

G

R

Y

Y

I

G

G

T

E

T

P

D

E

E

E

M

I

G

A

E

A

A

V

V

A

A

A

F

W

L

L

I

A

S

S

D

K

R

E

A

A

A

S

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Y

M

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T

T

G

G

S

I

I

T

L

L

T

F

V

A

D

D

G

G

L

M

binding nicotinamide-adenine-dinucleotide: G14 (= G17), S17 (= S20), G18 (= G21), L19 (≠ I22), Y39 (≠ N42), Q43 (≠ A46), D65 (= D68), V66 (≠ F69), N92 (= N95), A93 (= A96), G94 (= G97), M143 (≠ N147), Y158 (= Y162), K162 (= K166), P188 (= P192), G189 (= G193), I191 (≠ V195), T193 (≠ V197)

7do6A Crystal structure of azotobacter vinelandii l-rhamnose 1- dehydrogenase(NADP bound-form) (see paper)
35% identity, 92% coverage: 8:254/269 of query aligns to 3:242/247 of 7do6A

query
sites
7do6A

L

L

N

I

N

D

K

K

R

T

V

V

L

I

I

V

T

T

G
|
G

A

A

S
|
S

S
x
R

G
|
G

I
|
I

G

G

A

R

G

A

I

A

A

A

R

R

V

E

L

C

A

A

R

R

E

Q

G

G

C

A

R

R

L

V

V

V

L

I

H

G

Y
x
H

N
x
S

R

G

N

S

E

D

A

E

G
|
G

I

R

E

A

K

G

T

A

L

L

S

S

-

L

-

A

-

E

D

E

V

I

Q

A

A

A

L

F

G

G

A

G

E

T

A

A

E

I

V

A

L

V

H

G

C

A

D
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D

F
x
A

R

A

E

D

L

L

D

D

R

S

V

G

V

E

P

K

F

L

F

V

E

A

A

A

W

V

Q

E

A

A

F

F

N

G

G

S

L

V

D

D

A

V

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

V

C

S

P

K

F

V

H

T

S

S

F

L

L

K

D

D

M

P

P

H

R

G

-

E

E

A

L

F

Y

D

L

E

K

V

T

L

V

A

G

V
x
T

N

N

L

L

Q

N

A

G

P

A

Y

Y

R

F

L

T

A

V

T

Q

A

A

F

A

A

A

Q

R

H

R

C

M

I

K

E

E

A

Q

G

G

H

R

G

G

V

A

V

I

N

A

N

V

S

S

S
|
S

I

I

H

S

G

A

Q

L

K

V

S

G

C

G

E

A

W

M

F

Q

S

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A

H

Y
|
Y

G

T

A

P

A

T

K
|
K

A

A

G

G

L

L

D

L

R

S

L

L

T

M

E

Q

V

S

Q

C

A

A

I

I

E

A

W

L

G

G

P

P

H

Y

G

G

I

I

R

R

L

C

V

N

G

A

I

V

A

L

P

P

G

G

V

T

V
x
I

P

A

-

D

V

L

E

E

R

K

T

-

E

-

V

-

I

-

L

-

S

-

Q

-

P

-

V

-

K

R

D

E

R

R

W

M

M

T

K

S

C

R

T

V

P

P

L

L

G

G

R

R

Y

L

G

G

T

E

T

P

D

D

E

D

M

L

G

A

E

G

A

P

V

I

A

V

F

F

L

L

I

A

S

S

D

D

R

M

A

A

A

R

W

Y

M

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T

T

G

G

S

A

I

S

L

L

T

L

V

V

D

D

G

G

L

L

active site: G16 (= G21), S146 (= S149), Y159 (= Y162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G17), S14 (= S19), R15 (≠ S20), G16 (= G21), I17 (= I22), H36 (≠ Y41), S37 (≠ N42), G42 (= G47), D66 (= D68), A67 (≠ F69), N93 (= N95), A94 (= A96), G95 (= G97), I96 (= I98), T116 (≠ V119), S146 (= S149), Y159 (= Y162), K163 (= K166), I192 (≠ V195)

1g6kA Crystal structure of glucose dehydrogenase mutant e96a complexed with NAD+
29% identity, 96% coverage: 4:261/269 of query aligns to 1:254/261 of 1g6kA

query
sites
1g6kA

L

M

Y

Y

P

K

E

D

L

L

N

E

N

G

K

K

R

V

V

V

L

V

I

I

T

T

G

G

A

S

S

S

S
x
T

G
|
G

I
x
L

G

G

A

K

G

S

I

M

A

A

R

I

V

R

L

F

A

A

R

T

E

E

G

K

C

A

R

K

L

V

V

V

L

V

H

N

Y

Y

N
x
R

R

S

N

K

E

E

A

D

G

E

I

A

E

N

K

S

T

V

L

L

S

E

D

E

V

I

Q

K

A

K

L

V

G

G

A

G

E

E

A

A

E

I

V

A

L

V

H

K

C

G

D
|
D

F
x
V

R

T

E

V

L

E

D

S

R

D

V

V

V

I

P

N

F

L

F

V

E

Q

A

S

A

A

W

I

Q

K

A

E

F

F

N

G

G

K

L

L

D

D

A

V

L

M

I

I

N

N

N
|
N

A
|
A

G
|
G

I

L

V

A

S

N

K

P

V

V

T

S

S

S

L

H

K

E

D

M

P

S

H

L

G

S

E

D

A

-

F

W

D

N

E

K

V

V

L

I

A

D

V

T

N

N

L

L

Q

T

A

G

P

A

Y

F

R

L

L

G

A

S

T

R

A

E

F

A

A

I

Q

K

H

Y

C

F

I

V

E

E

A

N

G

D

H

I

G

K

G

G

V

T

V

V

V

I

N

N

N
x
M

S

S

S
|
S

I

V

H

H

G

E

Q

K

K

I

S

P

C

W

E

P

W

L

F

F

S

V

A

H

Y
|
Y

G

A

A

A

A

S

K
|
K

A

G

G

G

L

M

D

K

R

L

L

M

T

T

E

E

V

T

Q

L

A

A

I

L

E

E

W

Y

G

A

P

P

H

K

G

G

I

I

R

R

L

V

V

N

G

N

I

I

A

G

P
|
P

G
|
G

V

A

V
x
I

P

N

V
x
T

E

P

R

I

T

N

E

A

V

E

I

K

L

F

S

A

Q

D

P

P

P

E

V

Q

K

R

D

A

R

D

W

V

M

E

K

S

C

M

T

I

P

P

L

M

G

G

R

Y

Y

I

G

G

T

E

T

P

D

E

E

E

M

I

G

A

E

A

A

V

V

A

A

A

F

W

L

L

I

A

S

S

D

S

R

E

A

A

A

S

W

Y

M

V

T

T

G

G

S

I

I

T

L

L

T

F

V

A

D

D

G

G

L

M

I

T

A

-

R

-

G

-

N

Q

Y

Y

P

P

active site: G18 (= G21), S145 (= S149), Y158 (= Y162), K162 (= K166)
binding nicotinamide-adenine-dinucleotide: T17 (≠ S20), G18 (= G21), L19 (≠ I22), R39 (≠ N42), D65 (= D68), V66 (≠ F69), N92 (= N95), A93 (= A96), G94 (= G97), M143 (≠ N147), S145 (= S149), Y158 (= Y162), P188 (= P192), G189 (= G193), I191 (≠ V195), T193 (≠ V197)

3ay6B Crystal structure of bacillus megaterium glucose dehydrogenase 4 a258f mutant in complex with nadh and d-glucose (see paper)
29% identity, 96% coverage: 4:262/269 of query aligns to 7:264/267 of 3ay6B

query
sites
3ay6B

L

M

Y

Y

P

T

E

D

L

L

N

K

N

D

K

K

R

V

V

V

L

V

I

I

T

T

G
|
G

A

G

S

S

S
x
T

G
|
G

I
x
L

G

G

A

R

G

A

I

M

A

A

R

V

V

R

L

F

A

G

R

Q

E

E

G

E

C

A

R

K

L

V

V

V

L

I

H

N

Y

Y

N
x
Y

R

N

N

N

E

E

A

E

G

E

I

A

E

L

K

D

T

A

L

K

S

K

D

E

V

V

Q

E

A

E

L

A

G

G

A

G

E

Q

A

A

E

I

V

I

L

V

H

Q

C

G

D
|
D

F
x
V

R

T

E

K

L

E

D

E

R

D

V

V

P

N

F

L

F

V

E

Q

A

T

A

A

W

I

Q

K

A

E

F

F

N

G

G

T

L

L

D

D

A

V

L

M

I

I

N

N

N
|
N

A
|
A

G
|
G

I
x
V

V
x
E

S

N

K

P

V

V

T

P

S

S

L

-

K

H

D

E

P

L

H

S

G

L

E

D

A

N

F

W

D

N

E

K

V

V

L

I

A

D

V

T

N

N

L

L

Q

T

A

G

P

A

Y

F

R

L

L

G

A

S

T

R

A

E

F

A

A

I

Q

K

H

Y

C

F

I

V

E

E

A

N

G

D

H

I

G

K

G

G

V

N

V

V

V

I

N

N

N
x
M

S

S

S
|
S

I

V

H
|
H

G

E

Q

M

K

I

S

P

C
x
W

E

P

W

L

F

F

S

V

A

H

Y
|
Y

G

A

A

A

A

S

K
|
K

A

G

G

G

L

M

D

K

R

L

L

M

T

T

E

E

V

T

Q

L

A

A

I

L

E

E

W

Y

G

A

P

P

H

K

G

G

I

I

R

R

L

V

V

N

G

N

I

I

A

G

P
|
P

G
|
G

V

A

V
x
M

P

N

V
x
T

E
x
P

R
x
I

T
x
N

E

A

V

E

I
x
K

L

F

S

A

Q

D

P

P

P

V

V

Q

K

R

D

A

R

D

W

V

M

E

K

S

C

M

T

I

P

P

L

M

G

G

R

Y

Y

I

G

G

T

K

T

P

D

E

E

E

M

V

G

A

E

A

A

V

V

A

A

A

F

F

L

L

I

A

S

S

D

S

R

Q

A

A

A

S

W

Y

M

V

T

T

G

G

S

I

I

T

L

L

T

F

V

A

D

D

G

G

L

M

I

T

A

K

R

Y

G

P

N

S

Y

F

P

Q

F

F

active site: G24 (= G21), S151 (= S149), Y164 (= Y162), K168 (= K166)
binding beta-D-glucopyranose: E102 (≠ V99), S151 (= S149), H153 (= H151), W158 (≠ C156), Y164 (= Y162), N202 (≠ T200), K205 (≠ I203)
binding 1,4-dihydronicotinamide adenine dinucleotide: G20 (= G17), T23 (≠ S20), G24 (= G21), L25 (≠ I22), Y45 (≠ N42), D71 (= D68), V72 (≠ F69), N98 (= N95), A99 (= A96), G100 (= G97), V101 (≠ I98), M149 (≠ N147), S151 (= S149), Y164 (= Y162), K168 (= K166), P194 (= P192), G195 (= G193), M197 (≠ V195), T199 (≠ V197), P200 (≠ E198), I201 (≠ R199), N202 (≠ T200)

P40288 Glucose 1-dehydrogenase; EC 1.1.1.47 from Priestia megaterium (Bacillus megaterium) (see 2 papers)
29% identity, 96% coverage: 4:261/269 of query aligns to 1:254/261 of P40288

query
sites
P40288

L

M

Y

Y

P

K

E

D

L

L

N

E

N

G

K

K

R

V

V

V

L
x
V

I
|
I

T
|
T

G
|
G

A
x
S

S
|
S

S
x
T

G
|
G

I
x
L

G
|
G

A
x
K

G
x
S

I
x
M

A
|
A

R
x
I

V
x
R

L
x
F

A
|
A

R
x
T

E
|
E

G
x
K

C
x
A

R
x
K

L
x
V

V
|
V

L

V

H

N

Y

Y

N

R

R

S

N

K

E

E

A

D

G

E

I

A

E

N

K

S

T

V

L

L

S

E

D

E

V

I

Q

K

A

K

L

V

G

G

A

G

E

E

A

A

E

I

V

A

L

V

H

K

C

G

D

D

F

V

R

T

E

V

L

E

D

S

R

D

V

V

V

I

P

N

F

L

F

V

E

Q

A

S

A

A

W

I

Q

K

A

E

F

F

N

G

G

K

L

L

D

D

A

V

L

M

I

I

N

N

A

A

G

G

I

L

V
x
E

S

N

K

P

V

V

T

S

S

S

L

H

K

E

D

M

P

S

H

L

G

S

E
x
D

A

-

F

W

D

N

E

K

V
|
V

L

I

A

D

V

T

N

N

L

L

Q

T

A

G

P

A

Y

F

R

L

L

G

A

S

T

R

A

E

F

A

A

I

Q

K

H

Y

C

F

I

V

E
|
E

A

N

G

D

H

I

G

K

G

G

V

T

V

V

V

I

N

N

N

M

S

S

I

V

H

H

G

E

Q

K

K

I

S

P

C

W

E

P

W

L

F

F

S

V

A

H

Y

Y

G

A

A

A

A

S

K

K

A

G

G

G

L

M

D

K

R

L

L

M

T

T

E

E

V

T

Q

L

A

A

I

L

E

E

W

Y

G

A

P

P

H

K

G

G

I

I

R

R

L
x
V

V

N

G

N

I

I

A

G

P

P

G

G

V

A

V

I

P

N

V

T

E
x
P

R

I

T

N

E

A

V

E

I

K

L

F

S

A

Q

D

P

P

P

E

V

Q

K

R

D

A

R

D

W

V

M
x
E

K

S

C

M

T

I

P

P

L

M

G

G

R
x
Y

Y

I

G

G

T

E

T

P

D

E

E

E

M

I

G

A

E

A

A

V

V

A

A

A

F

W

L

L

I

A

S

S

D

S

R

E

A

A

A

S

W

Y

M

V

T

T

G

G

S

I

I

T

L

L

T

F

V

A

D

D

G

G

L

M

I

T

A

-

R

-

G

-

N
x
Q

Y
|
Y

P

P

11:35 (vs. 14:38, 40% identical) binding NADP(+)
E96 (≠ V99) mutation E->A,G,K: Heat stable.
D108 (≠ E111) mutation to N: Heat stable.
V112 (= V116) mutation to A: Heat stable.
E133 (= E137) mutation to K: Heat stable.
V183 (≠ L187) mutation to I: Heat stable.
P194 (≠ E198) mutation to Q: Heat stable.
E210 (≠ M214) mutation to K: Heat stable.
Y217 (≠ R221) mutation to H: Heat stable.
Q252 (≠ N259) mutation to L: Heat stable.
Y253 (= Y260) mutation to C: Heat stable.

Sites not aligning to the query:

258 A→G: Heat stable.

4hp8B Crystal structure of a putative 2-deoxy-d-gluconate 3-dehydrogenase from agrobacterium tumefaciens (target efi-506435) with bound NADP
34% identity, 93% coverage: 7:257/269 of query aligns to 5:246/246 of 4hp8B

query
sites
4hp8B

E

S

L

L

N

E

N

G

K

R

R

K

V

A

L

L

I

V

T

T

G
|
G

A

A

S
x
N

S
x
T

G
|
G

I
x
L

G

G

A

Q

G

A

I

I

A

A

R

V

V

G

L

L

A

A

R

A

E

A

G

G

C

A

R

E

L

V

V

V

L

C

H

A

Y

A

N
x
R

R
|
R

N

A

E

P

A

-

G

-

I

-

E

D

K

E

T

T

L

L

S

D

D

I

V

I

Q

A

A

K

L

D

G

G

A

G

E

N

A

A

E

S

V

A

L

L

H

L

C

I

D
|
D

F
|
F

R

A

E

D

L

-

D

-

R

-

V

-

P

P

F

L

F

-

E

-

A

A

W

K

Q

D

A

S

F

F

N

T

-

D

-

A

G

G

L

F

D

D

A

I

L

L

I

V

N

N

N
|
N

A

A

G
|
G

I
|
I

V

I

S

R

K

R

V

A

T

D

S

S

L

V

K

E

D

F

P

S

H

E

G

L

E

D

A

-

F

W

D

D

E

E

V

V

L

M

A

D

V

V

N

N

L

L

Q

K

A

A

P

L

Y

F

R

F

L

T

A

T

T

Q

A

A

F

F

A

A

Q

K

H

E

C

L

I

L

E

A

A

K

G

G

H

R

G

S

G

G

V

K

V

V

N

N

N
x
I

S

A

S
|
S

I

L

H

L

G

S

Q

F

K

Q

S

G

C

G

E

I

W

R

F
x
V

S

P

A

S

Y
|
Y

G

T

A

A

K
|
K

A

H

G

G

L

V

D

A

R

G

L

L

T

T

E

K

V

L

Q

L

A

A

I

N

E

E

W

W

G

A

P

A

H

K

G

G

I

I

R

N

L

V

V

N

G

A

I

I

A

A

P
|
P

G
|
G

V

Y

V
x
I

P

E

V
x
T

E

N

R
x
N

T
|
T

E

E

V

A

I

L

L

R

S

A

Q

D

P

A

V

R

K

N

D

K

R

A

W

I

M

L

K

E

C

R

T

I

P

P

L

A

G

G

R

R

Y

W

G

G

T

H

T

S

D

E

E

D

M

I

G

A

E

G

A

A

V

A

A

V

F

F

L

L

I

S

S

S

D

A

R

A

A

A

A

D

W

Y

M

V

T

H

G

G

S

A

I

I

L

L

T

N

V

V

D

D

G

G

L

W

I

L

A

A

R

R

active site: G19 (= G21), S138 (= S149), V148 (≠ F159), Y151 (= Y162), K155 (= K166)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G17), N17 (≠ S19), T18 (≠ S20), G19 (= G21), L20 (≠ I22), R40 (≠ N42), R41 (= R43), D63 (= D68), F64 (= F69), N85 (= N95), G87 (= G97), I88 (= I98), I136 (≠ N147), Y151 (= Y162), K155 (= K166), P181 (= P192), G182 (= G193), I184 (≠ V195), T186 (≠ V197), N188 (≠ R199), T189 (= T200)

2ae2A Tropinone reductase-ii complexed with NADP+ and pseudotropine (see paper)
33% identity, 92% coverage: 14:260/269 of query aligns to 12:259/259 of 2ae2A

query
sites
2ae2A

L

L

I

V

T

T

G
|
G

A

G

S
|
S

S
x
R

G
|
G

I
|
I

G

G

A

Y

G

G

I

I

A

V

R

E

V

E

L

L

A

A

R

S

E

L

G

G

C

A

R

S

L

-

V

V

L

Y

H

T

Y

C

N
x
S

R
|
R

N

N

E

Q

A

K

G

E

I

L

E

N

K

D

T

C

L

L

S

T

D

Q

V

W

Q

R

A

S

L

K

G

G

A

F

E

K

A

V

E

E

V

A

L

S

H

V

C
|
C

D

D

F
x
L

R

S

E

S

L

R

D

S

R

E

V

R

V

Q

P

E

F

L

F

M

E

N

A

T

A

V

W

A

Q

N

A

H

F

F

N

H

G

G

-

K

L

L

D

N

A

I

L

L

I

V

N

N

N
|
N

A

A

G
|
G

I

I

V

V

S

I

K

-

V

Y

T

K

S

E

L

A

K

K

D

D

P

Y

H

T

G

V

E

E

A

D

F

Y

D

S

E

L

V

I

L

M

A

S

V
x
I

N

N

L

F

Q

E

A

A

P

A

Y

Y

R

H

L

L

A

-

T

S

A

V

F

L

A

A

Q

H

H

P

C

F

I

L

E

K

A

A

G

S

H

E

G

R

G

G

V

N

V

V

N

F

N
x
I

S

S

S
|
S

I

V

H

S

G

G

Q

A

K

L

S

A

C

V

E

P

W

Y

F
x
E

S

A

A

V

Y
|
Y

G

G

A

A

A

T

K
|
K

A

G

G

A

L

M

D

D

R

Q

L

L

T

T

E

R

V

C

Q

L

A

A

I

F

E

E

W

W

G

A

P

K

H

D

G

N

I

I

R

R

L

V

V

N

G

G

I

V

A

G

P
|
P

G
|
G

V
|
V

V
x
I

P

A

V
x
T

E
x
S

R
x
L

T
x
V

E

E

V

M

I

T

L

I

S

Q

Q

D

P

P

P

E

V

Q

K

K

D

E

R

N

W

L

M

N

K

K

C

L

-

I

-

D

-

R

T

C

P

A

L

L

G

R

R

R

Y

M

G

G

T

E

T

P

D

K

E

E

M

L

G

A

E

A

A

M

V

V

A

A

F

F

L

L

I

C

S

F

D

P

R

A

A

A

A

S

W

Y

M

V

T

T

G

G

S

Q

I

I

L

I

T

Y

V

V

D

D

G

G

L

L

I

M

A

A

R

N

G

C

N

G

Y

F

active site: G19 (= G21), S145 (= S149), Y158 (= Y162), K162 (= K166)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G17), S17 (= S19), R18 (≠ S20), G19 (= G21), I20 (= I22), S39 (≠ N42), R40 (= R43), C64 (= C67), L66 (≠ F69), N93 (= N95), G95 (= G97), I116 (≠ V119), I143 (≠ N147), S145 (= S149), Y158 (= Y162), K162 (= K166), P188 (= P192), G189 (= G193), V190 (= V194), I191 (≠ V195), T193 (≠ V197), S194 (≠ E198), L195 (≠ R199), V196 (≠ T200)
binding pseudotropine: S145 (= S149), E155 (≠ F159), Y158 (= Y162), L195 (≠ R199)

1ipfA Tropinone reductase-ii complexed with NADPH and tropinone (see paper)
33% identity, 92% coverage: 14:260/269 of query aligns to 12:259/259 of 1ipfA

query
sites
1ipfA

L

L

I

V

T

T

G
|
G

A

G

S

S

S
x
R

G
|
G

I
|
I

G

G

A

Y

G

G

I

I

A

V

R

E

V

E

L

L

A

A

R

S

E

L

G

G

C

A

R

S

L

-

V

V

L

Y

H

T

Y

C

N
x
S

R
|
R

N

N

E

Q

A

K

G

E

I

L

E

N

K

D

T

C

L

L

S

T

D

Q

V

W

Q

R

A

S

L

K

G

G

A

F

E

K

A

V

E

E

V

A

L

S

H

V

C
|
C

D
|
D

F
x
L

R

S

E

S

L

R

D

S

R

E

V

R

V

Q

P

E

F

L

F

M

E

N

A

T

A

V

W

A

Q

N

A

H

F

F

N

H

G

G

-

K

L

L

D

N

A

I

L

L

I

V

N

N

N
|
N

A

A

G

G

I

I

V

V

S

I

K

-

V

Y

T

K

S

E

L

A

K

K

D

D

P

Y

H

T

G

V

E

E

A

D

F

Y

D

S

E

L

V

I

L

M

A

S

V

I

N

N

L

F

Q

E

A

A

P

A

Y

Y

R

H

L

L

A

-

T

S

A

V

F

L

A

A

Q

H

H

P

C

F

I

L

E

K

A

A

G

S

H

E

G

R

G

G

V

N

V

V

N

F

N

I

S

S

S
|
S

I

V

H
x
S

G

G

Q

A

K

L

S

A

C

V

E

P

W

Y

F
x
E

S

A

A

V

Y
|
Y

G

G

A

A

A

T

K
|
K

A

G

G

A

L

M

D

D

R

Q

L

L

T

T

E

R

V

C

Q

L

A

A

I

F

E

E

W

W

G

A

P

K

H

D

G

N

I

I

R

R

L

V

V

N

G

G

I

V

A

G

P
|
P

G

G

V
|
V

V
x
I

P

A

V
x
T

E
x
S

R
x
L

T
x
V

E

E

V

M

I

T

L

I

S

Q

Q

D

P

P

P

E

V

Q

K

K

D

E

R

N

W

L

M

N

K

K

C

L

-

I

-

D

-

R

T

C

P

A

L

L

G

R

R

R

Y

M

G

G

T

E

T

P

D

K

E

E

M

L

G

A

E

A

A

M

V

V

A

A

F

F

L

L

I

C

S

F

D

P

R

A

A

A

A

S

W

Y

M

V

T

T

G

G

S

Q

I

I

L

I

T

Y

V

V

D

D

G

G

L

L

I

M

A

A

R

N

G

C

N

G

Y

F

active site: G19 (= G21), S145 (= S149), Y158 (= Y162), K162 (= K166)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G17), R18 (≠ S20), G19 (= G21), I20 (= I22), S39 (≠ N42), R40 (= R43), C64 (= C67), D65 (= D68), L66 (≠ F69), N93 (= N95), S145 (= S149), Y158 (= Y162), K162 (= K166), P188 (= P192), V190 (= V194), I191 (≠ V195), T193 (≠ V197), S194 (≠ E198), L195 (≠ R199), V196 (≠ T200)
binding 8-methyl-8-azabicyclo[3,2,1]octan-3-one: S147 (≠ H151), E155 (≠ F159), Y158 (= Y162)

1ipeA Tropinone reductase-ii complexed with NADPH (see paper)
33% identity, 92% coverage: 14:260/269 of query aligns to 12:259/259 of 1ipeA

query
sites
1ipeA

L

L

I

V

T

T

G
|
G

A

G

S
|
S

S
x
R

G
|
G

I
|
I

G

G

A

Y

G

G

I

I

A

V

R

E

V

E

L

L

A

A

R

S

E

L

G

G

C

A

R

S

L

-

V

V

L

Y

H

T

Y

C

N
x
S

R
|
R

N

N

E

Q

A

K

G

E

I

L

E

N

K

D

T

C

L

L

S

T

D

Q

V

W

Q

R

A

S

L

K

G

G

A

F

E

K

A

V

E

E

V

A

L

S

H

V

C
|
C

D
|
D

F
x
L

R

S

E

S

L

R

D

S

R

E

V

R

V

Q

P

E

F

L

F

M

E

N

A

T

A

V

W

A

Q

N

A

H

F

F

N

H

G

G

-

K

L

L

D

N

A

I

L

L

I

V

N

N

N
|
N

A

A

G

G

I

I

V

V

S

I

K

-

V

Y

T

K

S

E

L

A

K

K

D

D

P

Y

H

T

G

V

E

E

A

D

F

Y

D

S

E

L

V

I

L

M

A

S

V
x
I

N

N

L

F

Q

E

A

A

P

A

Y

Y

R

H

L

L

A

-

T

S

A

V

F

L

A

A

Q

H

H

P

C

F

I

L

E

K

A

A

G

S

H

E

G

R

G

G

V

N

V

V

N

F

N

I

S

S

S
|
S

I

V

H

S

G

G

Q

A

K

L

S

A

C

V

E

P

W

Y

F

E

S

A

A

V

Y
|
Y

G

G

A

A

A

T

K
|
K

A

G

G

A

L

M

D

D

R

Q

L

L

T

T

E

R

V

C

Q

L

A

A

I

F

E

E

W

W

G

A

P

K

H

D

G

N

I

I

R

R

L

V

V

N

G

G

I

V

A

G

P
|
P

G

G

V

V

V
x
I

P

A

V
x
T

E
x
S

R
x
L

T
x
V

E

E

V

M

I

T

L

I

S

Q

Q

D

P

P

P

E

V

Q

K

K

D

E

R

N

W

L

M

N

K

K

C

L

-

I

-

D

-

R

T

C

P

A

L

L

G

R

R

R

Y

M

G

G

T

E

T

P

D

K

E

E

M

L

G

A

E

A

A

M

V

V

A

A

F

F

L

L

I

C

S

F

D

P

R

A

A

A

A

S

W

Y

M

V

T

T

G

G

S

Q

I

I

L

I

T

Y

V

V

D

D

G

G

L

L

I

M

A

A

R

N

G

C

N

G

Y

F

active site: G19 (= G21), S145 (= S149), Y158 (= Y162), K162 (= K166)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G17), S17 (= S19), R18 (≠ S20), G19 (= G21), I20 (= I22), S39 (≠ N42), R40 (= R43), C64 (= C67), D65 (= D68), L66 (≠ F69), N93 (= N95), I116 (≠ V119), S145 (= S149), Y158 (= Y162), K162 (= K166), P188 (= P192), I191 (≠ V195), T193 (≠ V197), S194 (≠ E198), L195 (≠ R199), V196 (≠ T200)

P50163 Tropinone reductase 2; Tropinone reductase II; TR-II; EC 1.1.1.236 from Datura stramonium (Jimsonweed) (Common thornapple) (see paper)
33% identity, 92% coverage: 14:260/269 of query aligns to 13:260/260 of P50163

query
sites
P50163

L

L

I

V

T

T

G

G

A

G

S
|
S

S
x
R

G
|
G

I
|
I

G
|
G

A
x
Y

G
|
G

I
|
I

A
x
V

R
x
E

V
x
E

L
|
L

A
|
A

R
x
S

E
x
L

G
|
G

C
x
A

R
x
S

L

-

V
|
V

L
x
Y

H
x
T

Y
x
C

N
x
S

R
|
R

N

N

E

Q

A

K

G

E

I

L

E

N

K

D

T

C

L

L

S

T

D

Q

V

W

Q

R

A

S

L

K

G

G

A

F

E

K

A

V

E

E

V

A

L

S

H

V

C

C

D

D

F

L

R

S

E

S

L

R

D

S

R

E

V

R

V

Q

P

E

F

L

F

M

E

N

A

T

A

V

W

A

Q

N

A

H

F

F

N

H

G

G

-

K

L

L

D

N

A

I

L

L

I

V

N

N

A

A

G

G

I

I

V

V

S

I

K

-

V

Y

T

K

S

E

L

A

K

K

D

D

P

Y

H

T

G

V

E

E

A

D

F

Y

D

S

E

L

V

I

L

M

A

S

V

I

N

N

L

F

Q

E

A

A

P

A

Y

Y

R

H

L

L

A

-

T

S

A

V

F

L

A

A

Q

H

H

P

C

F

I

L

E

K

A

A

G

S

H

E

G

R

G

G

V

N

V

V

N

F

N

I

S

S

S
|
S

I

V

H

S

G

G

Q

A

K

L

S

A

C

V

E

P

W

Y

F

E

S

A

A

V

Y

Y

G

G

A

A

A

T

K

K

A

G

G

A

L

M

D

D

R

Q

L

L

T

T

E

R

V

C

Q

L

A

A

I

F

E

E

W

W

G

A

P

K

H

D

G

N

I

I

R

R

L

V

V

N

G

G

I

V

A

G

P

P

G

G

V

V

V
x
I

P
x
A

V
x
T

E
x
S

R
x
L

T

V

E

E

V

M

I

T

L

I

S

Q

Q

D

P

P

P

E

V

Q

K

K

D

E

R

N

W

L

M

N

K

K

C

L

-

I

-

D

-

R

T

C

P

A

L

L

G

R

R

R

Y

M

G

G

T

E

T

P

D

K

E

E

M

L

G

A

E

A

A

M

V

V

A

A

F

F

L

L

I

C

S

F

D

P

R

A

A

A

A

S

W

Y

M

V

T

T

G

G

S

Q

I

I

L

I

T

Y

V

V

D

D

G

G

L

L

I

M

A

A

R

N

G

C

N

G

Y

F

18:41 (vs. 19:43, 44% identical) binding NADP(+)
S146 (= S149) binding substrate
IATSL 192:196 (≠ VPVER 195:199) binding NADP(+)

7caxD Crystal structure of bacterial reductase
32% identity, 91% coverage: 10:255/269 of query aligns to 1:238/238 of 7caxD

query
sites
7caxD

N

T

K

R

R

R

V

I

L

L

I

V

T

T

G
|
G

A

S

S
|
S

S
x
R

G
|
G

I
|
I

G

G

A

K

G

A

I

I

A

A

R

L

V

Q

L

L

A

A

R

K

E

A

G

G

C

F

R

D

L

V

V

T

L

V

H
|
H

Y

A

N
x
R

R
x
S

N
x
R

E

Q

A

A

G

E

I

A

E

E

K

Q

T

V

L

V

S

Q

D

E

V

I

Q

Q

A

A

L

L

G

G

A

Q

E

N

A

S

E

H

V

Y

L

L

H

M

C

F

D
|
D

F
x
V

R

N

E

E

L

R

D

Q

R

T

V

V

V

Q

P

Q

F

I

F

L

E

E

A

Q

A

D

W

V

Q

E

A

Q

F

H

N

G

G

G

L

F

D

Y

A

G

L

V

I

V

N

L

N
|
N

A
|
A

G
|
G

I

L

V

T

S

H

K

D

-

G

-

A

V

F

T

P

S

A

L

L

K

T

D

D

P

-

H

-

G

-

E

Q

A

D

F

W

D

D

E

E

V

V

L

I

A

S

V

T

N

S

L

L

Q

D

A

G

P

F

Y

Y

R

N

L

V

A

L

T

K

A

P

F

L

A

I

Q

M

H

P

C

M

I

I

E

H

A

L

G

R

H

K

G

G

V

R

V

I

V

V

N

T

N

L

S

S

S
|
S

I

V

H

S

G

G

Q

I

K

M

S

G

C

N

E

R

W

G

F

Q

S

V

A

N

Y
|
Y

G

S

A

A

K
|
K

A

A

G

G

L

L

D

I

R

G

L

A

T

T

E

K

V

A

Q

L

A

A

I

L

E

E

W

L

G

A

P

K

H

R

G

K

I

I

R

T

L

V

V

N

G

C

I

V

A

A

P
|
P

G
|
G

V

L

V
x
I

P

E

V

T

E

E

R

M

T

D

E

E

V

V

I

-

L

-

S

-

Q

-

P

-

V

-

K

K

D

E

R

H

W

A

M

L

K

K

C

M

T

I

P

P

L

L

G

Q

R

R

Y

M

G

G

T

Q

T

V

D

D

E

E

M

V

G

A

E

S

A

V

V

V

A

K

F

F

L

L

I

C

S

S

D

D

R

E

A

A

A

S

W

Y

M

V

T

T

G

R

S

Q

I

V

L

I

T

S

V

V

D

N

G

G

L

L

I

I

active site: G12 (= G21), S139 (= S149), Y152 (= Y162)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G17), S10 (= S19), R11 (≠ S20), I13 (= I22), H31 (= H40), R33 (≠ N42), S34 (≠ R43), R35 (≠ N44), D59 (= D68), V60 (≠ F69), N86 (= N95), A87 (= A96), G88 (= G97), S139 (= S149), Y152 (= Y162), K156 (= K166), P182 (= P192), G183 (= G193), I185 (≠ V195)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
32% identity, 93% coverage: 8:256/269 of query aligns to 3:247/248 of 6ixmC

query
sites
6ixmC

L

L

N

D

N

N

K

K

R

V

V

A

L

L

I

V

T

T

G
|
G

A

A

S

G

S
|
S

G
|
G

I
|
I

G

G

A

L

G

A

I

V

A

A

R

H

V

S

L

Y

A

A

R

K

E

E

G

G

C

A

R

K

L

V

V

I

L

V

H

S

Y

-

N
x
D

R
x
I

N

N

E

E

A

D

G

H

I

G

E

N

K

K

T

A

L

V

S

E

D

D

V

I

Q

K

A

A

L

Q

G

G

A

G

E

E

A

A

E

S

V

F

L

V

H

K

C
x
A

D
|
D

F
x
T

R

S

E

N

L

P

D

E

R

E

V

V

V

E

P

A

F

L

F

V

E

K

A

R

A

T

W

V

Q

E

A

I

F

Y

N

G

G

R

L

L

D

D

A

I

L

A

I

C

N

N

N
|
N

A
|
A

G

G

I

I

V

G

S

G

K

E

V

Q

T

A

S

L

L

A

K

G

D

D

P

Y

H

G

G

L

E

D

A

S

F

W

D

R

E

K

V

V

L

L

A

S

V

I

N

N

L

L

Q

D

A

G

P

V

Y

F

R

-

L

Y

A

G

T

C

A

K

F

Y

A

E

Q

L

H

E

C

Q

I

M

E

E

A

K

G

N

H

G

G

G

V

V

V

I

V

V

N

N

N
x
M

S

A

S
|
S

I

I

H

H

G

G

Q

I

K

V

S

A

C

A

E

P

W

L

F

S

S

S

A

A

Y
|
Y

G

T

A

S

A

A

K
|
K

A

H

G

A

L

V

D

V

R

G

L

L

T

T

E

K

V

N

Q

I

A

G

I

A

E

E

W

Y

G

G

P

Q

H

K

G

N

I

I

R

R

L

C

V

N

G

A

I

V

A

G

P
|
P

G
x
A

V
x
Y

V
x
I

P

E

V

T

E

P

R
x
L

T

L

E

E

V

S

I

L

L

T

S

K

Q

E

P

-

V

M

K

K

D

E

R

A

W

L

M

I

K

S

C

K

T

H

P

P

L

M

G

G

R

R

Y

L

G

G

T

K

T

P

D

E

E

E

M

V

G

A

E

E

A

L

V

V

A

L

F

F

L

L

I

S

S

S

D

E

R

K

A

S

W

F

M

M

T

T

G

G

S

G

I

Y

L

Y

T

L

V

V

D

D

G

G

L

Y

I

T

A

A

active site: G16 (= G21), S142 (= S149), Y155 (= Y162), K159 (= K166)
binding nicotinamide-adenine-dinucleotide: G12 (= G17), S15 (= S20), G16 (= G21), I17 (= I22), D36 (≠ N42), I37 (≠ R43), A61 (≠ C67), D62 (= D68), T63 (≠ F69), N89 (= N95), A90 (= A96), M140 (≠ N147), S142 (= S149), Y155 (= Y162), K159 (= K166), P185 (= P192), A186 (≠ G193), Y187 (≠ V194), I188 (≠ V195), L192 (≠ R199)

4urfB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
35% identity, 93% coverage: 8:257/269 of query aligns to 3:248/248 of 4urfB

query
sites
4urfB

L

L

N

E

N

G

K

K

R

T

V

A

L

L

I

V

T

T

G
|
G

A

A

S
x
G

S
x
N

G
|
G

I
|
I

G

G

A

R

G

T

I

I

A

A

R

L

V

T

L

Y

A

A

R

A

E

E

G

G

C

A

R

N

L

V

V

V

L

V

H

S

Y
x
D

N
x
I

R

S

N

D

E

E

A

W

G

G

I

R

E

E

K

-

T

T

L

L

S

A

D

L

V

I

Q

E

A

G

L

K

G

G

A

G

E

K

A

A

E

V

V

F

L

Q

H

H

C

A

D
|
D

F
x
T

R

A

E

H

L

P

D

E

R

D

V

H

V

D

P

E

F

L

F

I

E

A

A

A

W

K

Q

R

A

A

F

F

N

G

G

R

L

L

D

D

A

I

L

A

I

C

N

N

N
|
N

A
|
A

G
|
G

I
|
I

V

S

S
x
G

K

E

V

F

T

T

S

P

L

T

K

A

D

E

P

T

H

T

G

D

E

A

A

Q

F

W

D

Q

E
x
R

V

V

L

I

A

G

V

I

N

N

L

L

Q

S

A

G

P

V

Y

F

R

Y

L

G

A

V

T

R

A

A

F

Q

A

I

Q

R

H

A

C

M

I

L

E

E

A

T

G

G

H

-

G

G

V

A

V

I

V

V

N

N

N
x
I

S

S

S
|
S

I

I

H

A

G

G

Q

Q

K

I

S

G

C

I

E

E

W

G

F
x
I

S

T

A

P

Y
|
Y

G

T

A

A

K
|
K

A

H

G

G

L

V

D

V

R

G

L

L

T

T

E

K

V

T

Q

V

A

A

I

W

E

E

W

Y

G

G

P

S

H

K

G

G

I

I

R
|
R

L

I

V

N

G

S

I

V

A

G

P
|
P

G
x
A

V

F

V
x
I

P

-

V

-

E

-

R

N

T
|
T

E

T

V

L

I

V

L

Q

S

N

Q

V

P

P

P

L

V

E

K

T

D

R

R

R

W

Q

M

L

-

E

K

Q

C

M

T

H

P

A

L
|
L

G
x
R

R
|
R

Y

L

G

G

T

E

T

T

D

E

E

E

M

V

G

A

E

N

A

L

V

V

A

A

F

W

L

L

I

S

S
|
S

D

D

R

K

A

A

A

S

W

F

M

V

T

T

G

G

S

S

I

Y

L

Y

T

A

V

V

D

D

G

G

L

Y

I

L

A

A

R

R

active site: G16 (= G21), S142 (= S149), I152 (≠ F159), Y155 (= Y162), K159 (= K166)
binding 3-pyridinium-1-ylpropane-1-sulfonate: L210 (= L219), R211 (≠ G220), R212 (= R221)
binding bicarbonate ion: I92 (= I98), G94 (≠ S100), R109 (≠ E115), R179 (= R186), S228 (= S237)
binding nicotinamide-adenine-dinucleotide: G12 (= G17), G14 (≠ S19), N15 (≠ S20), G16 (= G21), I17 (= I22), D36 (≠ Y41), I37 (≠ N42), D62 (= D68), T63 (≠ F69), N89 (= N95), A90 (= A96), G91 (= G97), I140 (≠ N147), Y155 (= Y162), K159 (= K166), P185 (= P192), A186 (≠ G193), I188 (≠ V195), T190 (= T200)

4urfA Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
35% identity, 93% coverage: 8:257/269 of query aligns to 3:248/248 of 4urfA

query
sites
4urfA

L

L

N

E

N

G

K

K

R

T

V

A

L

L

I

V

T

T

G
|
G

A

A

S
x
G

S
x
N

G
|
G

I
|
I

G

G

A

R

G

T

I

I

A

A

R

L

V

T

L

Y

A

A

R

A

E

E

G

G

C

A

R

N

L

V

V

V

L

V

H

S

Y
x
D

N
x
I

R

S

N

D

E

E

A
x
W

G

G

I

R

E

E

K

-

T

T

L

L

S

A

D

L

V

I

Q

E

A

G

L

K

G

G

A

G

E

K

A

A

E

V

V

F

L

Q

H

H

C

A

D
|
D

F
x
T

R

A

E

H

L

P

D

E

R

D

V

H

V

D

P

E

F

L

F

I

E

A

A

A

W

K

Q

R

A

A

F

F

N

G

G

R

L

L

D

D

A

I

L

A

I

C

N

N

N
|
N

A
|
A

G
|
G

I
|
I

V
x
S

S
x
G

K
x
E

V

F

T
|
T

S

P

L

T

K

A

D
x
E

P

T

H
x
T

G

D

E

A

A
x
Q

F

W

D

Q

E
x
R

V

V

L

I

A

G

V

I

N

N

L

L

Q

S

A

G

P

V

Y

F

R

Y

L

G

A

V

T

R

A

A

F

Q

A

I

Q

R

H

A

C

M

I

L

E

E

A

T

G

G

H

-

G

G

V

A

V

I

V

V

N

N

N
x
I

S

S

S
|
S

I

I

H

A

G

G

Q

Q

K

I

S

G

C

I

E

E

W

G

F
x
I

S

T

A

P

Y
|
Y

G

T

A

A

K
|
K

A

H

G

G

L

V

D

V

R

G

L

L

T

T

E

K

V

T

Q

V

A

A

I

W

E

E

W

Y

G

G

P
x
S

H

K

G
|
G

I

I

R

R

L

I

V

N

G

S

I

V

A

G

P
|
P

G

A

V

F

V
x
I

P

-

V

-

E

-

R

N

T
|
T

E

T

V

L

I

V

L

Q

S

N

Q

V

P

P

P

L

V

E

K

T

D

R

R

R

W

Q

M

L

-

E

K

Q

C

M

T

H

P

A

L

L

G

R

R

R

Y

L

G

G

T

E

T

T

D

E

E

E

M

V

G

A

E

N

A

L

V

V

A

A

F

W

L

L

I

S

S

S

D

D

R

K

A

A

A

S

W

F

M

V

T

T

G

G

S
|
S

I
x
Y

L

Y

T

A

V

V

D

D

G

G

L

Y

I

L

A

A

R

R

active site: G16 (= G21), S142 (= S149), I152 (≠ F159), Y155 (= Y162), K159 (= K166)
binding 3-pyridinium-1-ylpropane-1-sulfonate: I92 (= I98), S93 (≠ V99), G94 (≠ S100), E95 (≠ K101), T97 (= T103), E101 (≠ D107), T103 (≠ H109), Q106 (≠ A112), R109 (≠ E115), S175 (≠ P182), G177 (= G184)
binding magnesium ion: S237 (= S246), Y238 (≠ I247)
binding nicotinamide-adenine-dinucleotide: G12 (= G17), G14 (≠ S19), N15 (≠ S20), G16 (= G21), I17 (= I22), D36 (≠ Y41), I37 (≠ N42), W41 (≠ A46), D62 (= D68), T63 (≠ F69), N89 (= N95), A90 (= A96), G91 (= G97), I140 (≠ N147), Y155 (= Y162), K159 (= K166), P185 (= P192), I188 (≠ V195), T190 (= T200)

4ureB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
35% identity, 93% coverage: 8:257/269 of query aligns to 3:248/248 of 4ureB

query
sites
4ureB

L

L

N

E

N

G

K

K

R

T

V

A

L

L

I

V

T

T

G

G

A

A

S

G

S
x
N

G
|
G

I
|
I

G

G

A

R

G

T

I

I

A

A

R

L

V

T

L

Y

A

A

R

A

E

E

G

G

C

A

R

N

L

V

V

V

L

V

H

S

Y

D

N

I

R

S

N

D

E

E

A

W

G

G

I

R

E

E

K

-

T

T

L

L

S

A

D

L

V

I

Q

E

A

G

L

K

G

G

A

G

E

K

A

A

E

V

V

F

L

Q

H

H

C

A

D

D

F

T

R

A

E

H

L

P

D

E

R

D

V

H

V

D

P

E

F

L

F

I

E

A

A

A

W

K

Q

R

A

A

F

F

N

G

G

R

L

L

D

D

A

I

L

A

I

C

N

N

N
|
N

A

A

G
|
G

I

I

V

S

S

G

K

E

V

F

T

T

S

P

L

T

K

A

D

E

P

T

H

T

G

D

E

A

A

Q

F

W

D

Q

E

R

V

V

L

I

A

G

V

I

N

N

L

L

Q

S

A

G

P

V

Y

F

R

Y

L

G

A

V

T

R

A

A

F

Q

A

I

Q

R

H

A

C

M

I

L

E

E

A

T

G

G

H

-

G

G

V

A

V

I

V

V

N

N

N

I

S

S

S
|
S

I

I

H

A

G

G

Q

Q

K

I

S

G

C

I

E

E

W

G

F
x
I

S

T

A

P

Y
|
Y

G

T

A

A

K
|
K

A

H

G

G

L

V

D

V

R

G

L

L

T

T

E

K

V

T

Q

V

A

A

I

W

E

E

W

Y

G

G

P

S

H

K

G

G

I

I

R

R

L

I

V

N

G

S

I

V

A

G

P
|
P

G
x
A

V

F

V

I

P

-

V

-

E

-

R

N

T

T

E

T

V

L

I

V

L

Q

S

N

Q

V

P

P

P

L

V

E

K

T

D

R

R

R

W

Q

M

L

-

E

K

Q

C

M

T

H

P

A

L

L

G

R

R

R

Y

L

G

G

T

E

T

T

D

E

E

E

M

V

G

A

E

N

A

L

V

V

A

A

F

W

L

L

I

S

S

S

D

D

R

K

A

A

A

S

W

F

M

V

T

T

G

G

S

S

I

Y

L

Y

T

A

V

V

D

D

G

G

L

Y

I

L

A

A

R

R

active site: G16 (= G21), S142 (= S149), I152 (≠ F159), Y155 (= Y162), K159 (= K166)
binding 3-pyridinium-1-ylpropane-1-sulfonate: N15 (≠ S20), G16 (= G21), I17 (= I22), N89 (= N95), G91 (= G97), Y155 (= Y162), P185 (= P192), A186 (≠ G193)

Query Sequence

>WP_074201862.1 NCBI__GCF_900141795.1:WP_074201862.1
MTVLYPELNNKRVLITGASSGIGAGIARVLAREGCRLVLHYNRNEAGIEKTLSDVQALGA
EAEVLHCDFRELDRVVPFFEAAWQAFNGLDALINNAGIVSKVTSLKDPHGEAFDEVLAVN
LQAPYRLATAFAQHCIEAGHGGVVVNNSSIHGQKSCEWFSAYGAAKAGLDRLTEVQAIEW
GPHGIRLVGIAPGVVPVERTEVILSQPPVKDRWMKCTPLGRYGTTDEMGEAVAFLISDRA
AWMTGSILTVDGGLIARGNYPFRDEMTKS

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