SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011383322.1 NCBI__GCF_000009985.1:WP_011383322.1 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)

7v0hG Crystal structure of putative glucose 1-dehydrogenase from burkholderia cenocepacia in complex with NADP and a potential reaction product
38% identity, 98% coverage: 3:246/250 of query aligns to 7:251/253 of 7v0hG

query
sites
7v0hG

S

S

S

K

L

L

S

A

G

G

K

K

V

V

A

A

V

I

V

V

T

T

G
|
G

A

A

S
|
S

S
x
K

G
|
G

I
|
I

G

G

H

A

A

A

I

I

A

A

Q

K

R

A

F

L

L

A

A

D

E

E

G

G

A

A

K

A

V

V

A

V

V

V

F

N

A

Y

R
x
A

N
x
S

A
x
S

A

K

A

A

L

G

A

A

D

D

L

A

-

V

-

S

-

A

-

I

-

T

-

E

A

A

K

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G

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E

-

D

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-

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L

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A

A

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F

Y

G

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D

D

M

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L

I

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P

N

N
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N

A
x
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G

I

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A
x
Y

K

E

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F

V

A

P

P

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E

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I

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T

A

E

A

H

I

Y

D

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F

F

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N

N

F

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G

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L

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L

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H

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E

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G

A

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N

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x
I

T

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x
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Y
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Y

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E

E

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L

A

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P

K

R

G

K

I

I

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R

V

V

N

N

S

A

V

I

A

N

P
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P

G
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G

P
x
M

I
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I

G

V

T
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T

P

E

I
x
G

W
x
T

G

H

S

S

I

A

G

G

L
x
I

P

I

A

G

D

S

V

D

L

L

Q

E

A

A

V

-

A

-

T

-

Q

Q

V

V

T

L

A

G

R

Q

L

T

M

P

P

L

G

G

A

R

F

L

G

G

E

E

P

P

G

N

D

D

I

I

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A

A

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F

F

L

L

C

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S

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D

Q

D

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N

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M

W

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E

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S

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G14), S20 (= S16), K21 (≠ S17), G22 (= G18), I23 (= I19), A43 (≠ R39), S44 (≠ N40), S45 (≠ A41), G68 (= G60), D69 (= D61), V70 (= V62), N96 (= N88), S97 (≠ A89), G98 (= G90), Y100 (≠ A92), I144 (≠ V136), S146 (≠ T138), Y159 (= Y151), K163 (= K155), P189 (= P181), G190 (= G182), M191 (≠ P183), I192 (= I184), T194 (= T186), G196 (≠ I188), T197 (≠ W189)
binding (2R)-2-(hydroxymethyl)pentanedioic acid: S146 (≠ T138), Y159 (= Y151), M191 (≠ P183), I202 (≠ L194)

4esoB Crystal structure of a putative oxidoreductase protein from sinorhizobium meliloti 1021 in complex with NADP
37% identity, 97% coverage: 4:246/250 of query aligns to 2:243/251 of 4esoB

query
sites
4esoB

S

N

L

Y

S

Q

G

G

K

K

V

K

A

A

V

I

V

V

T

I

G
|
G

A

G

S
x
T

S
x
H

G
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G

I
x
M

G

G

H

L

A

A

I

T

A

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R

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E

E

G

G

G

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R
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R

N
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x
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A

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x
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N

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x
M

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Y

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K

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A

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F

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I
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I

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T

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x
T

W
x
K

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G

S

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A

G

G

L

I

P

-

A

T

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E

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A

L

E

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R

A

A

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F

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M

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G

active site: G16 (= G18), S136 (≠ T138), M146 (≠ L148), Y149 (= Y151), K153 (= K155)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G14), T14 (≠ S16), H15 (≠ S17), M17 (≠ I19), R37 (= R39), N38 (= N40), N41 (≠ A43), S58 (≠ G60), D59 (= D61), I60 (≠ V62), N86 (= N88), A87 (= A89), G88 (= G90), T134 (≠ V136), S136 (≠ T138), Y149 (= Y151), P179 (= P181), G180 (= G182), I182 (= I184), T184 (= T186), T186 (≠ I188), K187 (≠ W189), G188 (= G190)

4bmsF Short chain alcohol dehydrogenase from ralstonia sp. Dsm 6428 in complex with NADPH
39% identity, 98% coverage: 5:248/250 of query aligns to 4:247/249 of 4bmsF

query
sites
4bmsF

L

L

S

L

G

N

K

K

V

T

A

A

V

V

V

I

T

T

G
|
G

A

G

S
x
N

S
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S

G

G

I
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I

G

G

H

L

A

A

I

T

A

A

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R

F

F

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G

G

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A

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Y

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x
R

A

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L

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x
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T

active site: S137 (≠ T138), H147 (≠ L148), Y150 (= Y151), K154 (= K155), Q195 (≠ G193)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G14), N15 (≠ S16), S16 (= S17), I18 (= I19), R38 (= R39), R39 (≠ N40), A59 (≠ G60), D60 (= D61), V61 (= V62), N87 (= N88), S88 (≠ A89), G89 (= G90), V110 (= V111), S137 (≠ T138), Y150 (= Y151), K154 (= K155), G181 (= G182), I183 (= I184), T185 (= T186), I187 (= I188)

6ihhA Crystal structure of rasadh f12 from ralstonia.Sp in complex with NADPH and a6o
39% identity, 98% coverage: 5:248/250 of query aligns to 4:247/249 of 6ihhA

query
sites
6ihhA

L

L

S

L

G

N

K

K

V

T

A

A

V

V

V

I

T

T

G
|
G

A

G

S
x
N

S
|
S

G
|
G

I
|
I

G

G

H

L

A

A

I

T

A

A

Q

K

R

R

F

F

L

V

A

A

E

E

G

G

A

A

K

Y

V

V

A

F

V

I

F

V

A

G

R
|
R

N
x
R

A

R

A

K

A

E

L

L

A

E

D

Q

L

A

A

A

K

A

G

E

R

I

E

G

D

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S

N

V

V

L

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A

A

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T

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G

A

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D

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V

T

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C

K

A

L

A

E

D

D

L

L

E

D

R

R

L

L

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Y

A

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G

G

G

S

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I

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D

M

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L

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F

P

A

N
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N

A
x
S

G
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G

I

A

A

V

K

E

V

Q

V

K

P

T

F

L

E

E

Q

E

S

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T

A

P

A

E

A

H

I

Y

D

D

H

R

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F

F

A

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N

F

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G

G

A

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F

A

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L

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P

H

L

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L

R

R

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D

G

G

S

S

V

V

L

I

F

L

V
x
T

T

S

T
x
S

F

V

L

A

T

G

Q

V

V

L

G

G

F

L

P

Q

G

A

L
x
H

A

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I

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Y
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Y

S

S

A

A

S

A

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K

A

A

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R

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S

F

L

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A

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T

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W

A

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E

E

L

L

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G

K

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I

I

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R

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V

N

N

S

A

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A

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P

G
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G

P
x
A

I
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I

G

D

T
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T

P

P

I
x
S

W
x
L

G

E

-

N

-

V

S

S

I

T

G

Q

L

E

P

E

A

A

D

D

V

E

L

L

Q

R

A

A

V

K

A

A

T

A

Q

A

V

A

T

T

A

P

R

-

L

-

M

-

P

L

G

G

A

R

F

V

G

G

E

R

P

P

G

E

D

E

I

L

A

A

T

A

A

V

A

L

F

F

L

L

C

A

S

S

D

D

Q

D

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S

N

Y

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G

G

Q

I

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E

I

L

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D

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G

Y
x
L

T

T

binding (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one: S137 (≠ T138), H147 (≠ L148), Y150 (= Y151), L188 (≠ W189), L246 (≠ Y247)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G14), N15 (≠ S16), S16 (= S17), G17 (= G18), I18 (= I19), R38 (= R39), R39 (≠ N40), D60 (= D61), V61 (= V62), N87 (= N88), S88 (≠ A89), G89 (= G90), V110 (= V111), T135 (≠ V136), S137 (≠ T138), Y150 (= Y151), K154 (= K155), P180 (= P181), G181 (= G182), A182 (≠ P183), I183 (= I184), T185 (= T186), S187 (≠ I188)

1g6kA Crystal structure of glucose dehydrogenase mutant e96a complexed with NAD+
36% identity, 99% coverage: 1:248/250 of query aligns to 1:251/261 of 1g6kA

query
sites
1g6kA

M

M

T

Y

S

K

S

D

L

L

S

E

G

G

K

K

V

V

A

V

V

V

V

I

T

T

G

G

A

S

S

S

S
x
T

G
|
G

I
x
L

G

G

H

K

A

S

I

M

A

A

Q

I

R

R

F

F

L

A

A

T

E

E

G

K

A

A

K

K

V

V

A

V

V

V

F

N

A

Y

R
|
R

N

S

-

K

-

E

-

D

-

E

A

A

A

N

A

S

L

V

A

L

D

E

L

E

A

I

K

K

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K

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G

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E

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A

L

I

A

A

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K

G

G

D
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D

V
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V

T

T

C

V

A

E

A

S

D

D

L

V

E

I

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N

L

L

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E

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T

A

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K

K

R

E

F

F

G

G

G

K

V

L

D

D

M

V

V

M

I

I

P

N

N
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N

A
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A

G
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G

I

L

A

A

K

N

V

P

V

V

P

S

F

S

E

H

Q

E

S

M

D

S

A

L

A

S

A

D

I

W

D

N

H

K

Q

V

F

I

A

D

V

T

N

N

F

L

T

T

G

G

A

A

V

F

Q

L

T

G

V

S

R

R

G

E

F

A

L

I

P

K

H

Y

I

F

R

V

Q

E

G

N

-

D

-

I

-

K

G

G

S

T

V

V

L

I

F

N

V
x
M

T

S

T
x
S

F

V

L

H

T

E

Q

K

V

I

G

P

F

W

P

P

G

L

L

F

A

V

I

H

Y
|
Y

S

A

A

A

S

S

K
|
K

A

G

L

M

K

K

S

L

F

M

S

T

Q

E

T

T

L

L

A

A

A

L

E

E

L

Y

A

A

P

P

K

K

G

G

I

I

R

R

V

V

N

N

S

N

V

I

A

G

P
|
P

G
|
G

P

A

I
|
I

G

N

T
|
T

P

P

I

I

W

-

G

-

S

N

I

A

G

E

L

K

P

F

A

A

D

D

V

P

L

E

Q

Q

A

-

V

-

A

R

T

A

Q

D

V

V

T

E

A

S

R

M

L

I

M

P

P

M

G

G

A

Y

F

I

G

G

E

E

P

P

G

E

D

E

I

I

A

A

T

V

A

A

F

W

L

L

C

A

S

S

D

S

Q

E

A

A

K

S

N

Y

I

V

W

T

G

G

Q

I

E

T

I

L

V

F

V

A

D

D

G

G

Y

M

T

T

active site: G18 (= G18), S145 (≠ T138), Y158 (= Y151), K162 (= K155)
binding nicotinamide-adenine-dinucleotide: T17 (≠ S17), G18 (= G18), L19 (≠ I19), R39 (= R39), D65 (= D61), V66 (= V62), N92 (= N88), A93 (= A89), G94 (= G90), M143 (≠ V136), S145 (≠ T138), Y158 (= Y151), P188 (= P181), G189 (= G182), I191 (= I184), T193 (= T186)

6ci9D Rmm microcompartment-associated aminopropanol dehydrogenase NADP + aminoacetone holo-structure (see paper)
40% identity, 100% coverage: 1:249/250 of query aligns to 3:251/259 of 6ci9D

query
sites
6ci9D

M

M

T

F

S

T

S

S

L

L

S

E

G

G

K

R

V

S

A

A

V

I

V

V

T

T

G
|
G

A

G

S
|
S

S

K

G
|
G

I
|
I

G

G

H

R

A

G

I

I

A

A

Q

E

R

T

F

F

L

A

A

N

E

A

G

G

A

V

K

D

V

V

A

V

V

I

F

T

A
x
G

R
|
R

N
|
N

A

Q

A

D

L

L

-

D

-

R

-

T

-

V

A

A

D

D

L

L

A

S

K

-

G

G

R

T

E

R

D

G

S

K

V

V

L

T

A

A

V

V

T

R

G

A

D
|
D

V
|
V

T

T

C

D

A

P

A

E

D

D

L

A

E

R

R

R

L

T

V

V

A

A

E

E

T

T

V

V

K

S

R

R

F

H

G

G

V

L

D

D

M

I

V

V

I

C

P

A

N
|
N

A

A

G
|
G

I

I

A
x
F

K

P

V

S

V

G

P

R

F

L

E

E

Q

D

S

L

D

T

A

P

A

D

I

I

D

E

H

Q

Q

V

F

L

A

G

V

V

N

N

F

F

T

K

G

G

A

T

V

V

Q

Y

T

I

V

V

R

Q

G

A

F

A

L

L

P

Q

H

A

I

L

R

T

Q

A

G

S

G

G

S

H

-

G

V

R

L

V

F

V

V

V

T
|
T

T

S

F
x
S

L

I

T
|
T

Q

G

-

P

-

I

V

T

G

G

F

Y

P

P

G

G

L
x
W

A

S

I

H

Y
|
Y

S

G

A

A

S

S

K
|
K

A

A

L

Q

K

L

S

G

F

F

S

L

Q

R

T

T

L

A

A

A

A

M

E

E

L

L

A

A

P

P

K

K

G

K

I

I

R

T

V

I

N

N

S

A

V

V

A

L

P
|
P

G
|
G

P
x
N

I
|
I

G

M

T
|
T

P

E

I
x
G

W
x
L

G

D

S

E

I

M

G

G

L

-

P

-

A

Q

D

D

V

Y

L

L

Q

D

A

Q

V

M

A

A

T

S

Q

A

V

I

T

P

A

A

R

-

L

-

M

-

P

-

G

G

A

R

F

L

G

G

E

S

P

V

G

A

D

D

I

I

A

G

A

N

T

A

A

A

A

L

F

F

L

F

C

A

S

T

D

D

Q

E

A

A

K

A

N

Y

I

V

W

T

G

G

Q

Q

E

T

I

L

V

V

D

D

G

G

Y

Q

T

V

I

L

active site: G20 (= G18), S145 (≠ F139), Y159 (= Y151)
binding 1-aminopropan-2-one: F97 (≠ A92), S145 (≠ F139), T147 (= T141), W156 (≠ L148), Y159 (= Y151), G190 (= G182)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G14), S18 (= S16), G20 (= G18), I21 (= I19), G40 (≠ A38), R41 (= R39), N42 (= N40), D66 (= D61), V67 (= V62), N93 (= N88), G95 (= G90), T143 (= T137), S145 (≠ F139), Y159 (= Y151), K163 (= K155), P189 (= P181), N191 (≠ P183), I192 (= I184), T194 (= T186), G196 (≠ I188), L197 (≠ W189)

P40288 Glucose 1-dehydrogenase; EC 1.1.1.47 from Priestia megaterium (Bacillus megaterium) (see 2 papers)
36% identity, 99% coverage: 1:248/250 of query aligns to 1:251/261 of P40288

query
sites
P40288

M

M

T

Y

S

K

S

D

L

L

S

E

G

G

K

K

V

V

A

V

V
|
V

V
x
I

T
|
T

G
|
G

A
x
S

S
|
S

S
x
T

G
|
G

I
x
L

G
|
G

H
x
K

A
x
S

I
x
M

A
|
A

Q
x
I

R
|
R

F
|
F

L
x
A

A
x
T

E
|
E

G
x
K

A
|
A

K
|
K

V
|
V

A
x
V

V

V

F

N

A

Y

R

R

N

S

-

K

-

E

-

D

-

E

A

A

A

N

A

S

L

V

A

L

D

E

L

E

A

I

K

K

G

K

R

V

E

G

D

G

S

E

V

A

L

I

A

A

V

V

T

K

G

G

D

D

V

V

T

T

C

V

A

E

A

S

D

D

L

V

E

I

R

N

L

L

V

V

A

Q

E

S

T

A

V

I

K

K

R

E

F

F

G

G

G

K

V

L

D

D

M

V

V

M

I

I

P

N

N

N

A

A

G

G

I

L

A
x
E

K

N

V

P

V

V

P

S

F

S

E

H

Q

E

S

M

D

S

A

L

A

S

A
x
D

I

W

D

N

H

K

Q
x
V

F

I

A

D

V

T

N

N

F

L

T

T

G

G

A

A

V

F

Q

L

T

G

V

S

R

R

G

E

F

A

L

I

P

K

H

Y

I

F

R

V

Q
x
E

G

N

-

D

-

I

-

K

G

G

S

T

V

V

L

I

F

N

V

M

T

S

F

V

L

H

T

E

Q

K

V

I

G

P

F

W

P

P

G

L

L

F

A

V

I

H

Y

Y

S

A

A

A

S

S

K

K

A

G

L

M

K

K

S

L

F

M

S

T

Q

E

T

T

L

L

A

A

A

L

E

E

L

Y

A

A

P

P

K

K

G

G

I

I

R

R

V
|
V

N

N

S

N

V

I

A

G

P

P

G

G

P

A

I

I

G

N

T

T

P
|
P

I

I

W

-

G

-

S

N

I

A

G

E

L

K

P

F

A

A

D

D

V

P

L

E

Q

Q

A

-

V

-

A

R

T

A

Q

D

V

V

T
x
E

A

S

R

M

L

I

M

P

P

M

G

G

A
x
Y

F

I

G

G

E

E

P

P

G

E

D

E

I

I

A

A

T

V

A

A

F

W

L

L

C

A

S

S

D

S

Q

E

A

A

K

S

N

Y

I

V

W

T

G

G

Q

I

E

T

I

L

V

F

V

A

D

D

G

G

Y

M

T

T

11:35 (vs. 11:35, 52% identical) binding
E96 (≠ A92) mutation E->A,G,K: Heat stable.
D108 (≠ A104) mutation to N: Heat stable.
V112 (≠ Q108) mutation to A: Heat stable.
E133 (≠ Q129) mutation to K: Heat stable.
V183 (= V176) mutation to I: Heat stable.
P194 (= P187) mutation to Q: Heat stable.
E210 (≠ T207) mutation to K: Heat stable.
Y217 (≠ A214) mutation to H: Heat stable.

Sites not aligning to the query:

252 Q→L: Heat stable.
253 Y→C: Heat stable.
258 A→G: Heat stable.

5fffA Noroxomaritidine/norcraugsodine reductase in complex with NADP+ and piperonal (see paper)
36% identity, 99% coverage: 4:250/250 of query aligns to 8:256/257 of 5fffA

query
sites
5fffA

S

S

L

L

S

E

G

G

K

T

V

T

A

A

V

L

V

V

T

T

G
|
G

A

G

S
x
T

S

K

G
|
G

I
|
I

G

G

H

H

A

A

I

I

A

V

Q

E

R

E

F

L

L

V

A

G

E

F

G

G

A

A

K

R

V

V

A

Y

V

T

F

C

A

S

R
|
R

N

N

A

E

A

A

A

E

L

L

A

R

D

K

L

C

A

L

K

Q

G

E

R

W

E

E

D

N

S

L

V

K

L

Y

A

D

V

V

T

T

G

G

-

S

-

V

-
x
C

D
|
D

V
|
V

T

S

C

S

A

R

A

T

D

E

L

R

E

E

R

K

L

L

V

A

A

E

E

E

T

V

V

S

K

S

R

V

F

F

G

N

G

G

-

K

V

L

D

N

M

I

V

L

I

I

P

N

N
|
N

A

A

G

G

I

G

A
x
Y

K

V

V

N

V

K

P

P

F

I

E

D

Q

G

S

F

D

T

A

A

A

E

A

D

I

F

D

S

H

F

Q

L

F

V

A

A

V

V

N

N

F

L

T

E

G

S

A

A

V

F

Q

H

T

L

V

C

R

Q

G

L

F

A

L

H

P

P

H

M

I

L

R

K

Q

A

G

S

G

G

-

T

-

G

S

S

V

I

L

V

F

H

V
x
I

T

S

F

C

L

C

T

A

Q

Q

V

I

G

A

F

I

P

P

G

G

L
x
H

A

S

I

I

Y
|
Y

S

S

A

S

S

T

K
|
K

A

G

A

A

L

I

K

N

S

Q

F

L

S

T

Q

R

T

N

L

L

A

A

A

C

E

E

L

W

A

A

P

K

K

D

G

N

I

I

R

R

V

T

N

N

S

S

V

I

A

A

P
|
P

G

G

P
x
A

I
|
I

G

R

T
|
T

P

P

I
x
G

W
x
T

G

E

S

S

I

F

G

V

L

I

P

D

A
x
K

D

D

V

A

L

L

Q

D

A

-

V

-

A

-

T

-

Q

R

V

E

T

V

A

S

R

R

L

V

M

P

P

F

G

G

A

R

F

I

G

G

E

E

P

P

G

E

D

E

I

V

A

A

A

S

T

L

A

A

F

F

L

L

C

C

S

M

D

P

Q

S

A

A

K

S

N

Y

I

I

W

T

G

G

Q

Q

E

V

I

I

V

C

V

V

D

D

G

G

Y

R

T

T

I

I

G

N

active site: K206 (≠ A196)
binding 1,3-benzodioxole-5-carbaldehyde: Y100 (≠ A92), H158 (≠ L148)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G14), T20 (≠ S16), G22 (= G18), I23 (= I19), R43 (= R39), C67 (vs. gap), D68 (= D61), V69 (= V62), N96 (= N88), I146 (≠ V136), Y161 (= Y151), K165 (= K155), P191 (= P181), A193 (≠ P183), I194 (= I184), T196 (= T186), G198 (≠ I188), T199 (≠ W189)

5ff9B Noroxomaritidine/norcraugsodine reductase in complex with NADP+ and tyramine (see paper)
36% identity, 99% coverage: 4:250/250 of query aligns to 8:256/257 of 5ff9B

query
sites
5ff9B

S

S

L

L

S

E

G

G

K

T

V

T

A

A

V

L

V

V

T

T

G
|
G

A

G

S
x
T

S
x
K

G

G

I
|
I

G

G

H

H

A

A

I

I

A

V

Q

E

R

E

F

L

L

V

A

G

E

F

G

G

A

A

K

R

V

V

A

Y

V

T

F

C

A
x
S

R
|
R

N

N

A

E

A

A

A

E

L

L

A

R

D

K

L

C

A

L

K

Q

G

E

R

W

E

E

D

N

S

L

V

K

L

Y

A

D

V

V

T

T

G

G

-

S

-

V

-
x
C

D
|
D

V
|
V

T

S

C

S

A

R

A

T

D

E

L

R

E

E

R

K

L

L

V

A

A

E

E

E

T

V

V

S

K

S

R

V

F

F

G

N

G

G

-

K

V

L

D

N

M

I

V

L

I

I

P

N

N
|
N

A

A

G

G

I

G

A
x
Y

K

V

V

N

V

K

P

P

F

I

E

D

Q

G

S

F

D

T

A

A

A

E

A

D

I

F

D

S

H

F

Q

L

F

V

A

A

V

V

N

N

F

L

T

E

G

S

A

A

V

F

Q

H

T

L

V

C

R

Q

G

L

F

A

L

H

P

P

H

M

I

L

R

K

Q

A

G

S

G

G

-

T

-

G

S

S

V

I

L

V

F

H

V
x
I

T

S

T
x
S

F

C

L

C

T

A

Q

Q

V

I

G

A

F
x
I

P

P

G

G

L
x
H

A

S

I

I

Y
|
Y

S

S

A

S

S

T

K
|
K

A

G

A

A

L

I

K

N

S

Q

F

L

S

T

Q

R

T

N

L

L

A

A

A

C

E

E

L

W

A

A

P

K

K

D

G

N

I

I

R

R

V

T

N

N

S

S

V

I

A

A

P
|
P

G

G

P
x
A

I
|
I

G

R

T
|
T

P

P

I
x
G

W
x
T

G

E

S

S

I

F

G

V

L

I

P

D

A
x
K

D

D

V

A

L

L

Q

D

A

-

V

-

A

-

T

-

Q

R

V

E

T

V

A

S

R

R

L

V

M

P

P

F

G

G

A

R

F

I

G

G

E

E

P

P

G

E

D

E

I

V

A

A

A

S

T

L

A

A

F

F

L

L

C

C

S

M

D

P

Q

S

A

A

K

S

N

Y

I

I

W

T

G

G

Q

Q

E

V

I

I

V

C

V

V

D

D

G

G

Y

R

T

T

I

I

G

N

active site: K206 (≠ A196)
binding 4-(2-aminoethyl)phenol: Y100 (≠ A92), I155 (≠ F145), H158 (≠ L148)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G14), T20 (≠ S16), K21 (≠ S17), I23 (= I19), S42 (≠ A38), R43 (= R39), C67 (vs. gap), D68 (= D61), V69 (= V62), N96 (= N88), I146 (≠ V136), S148 (≠ T138), Y161 (= Y151), K165 (= K155), P191 (= P181), A193 (≠ P183), I194 (= I184), T196 (= T186), G198 (≠ I188), T199 (≠ W189)

A0A1A9TAK5 Noroxomaritidine/norcraugsodine reductase; NorRed; EC 1.1.1.- from Narcissus pseudonarcissus (Daffodil) (see paper)
36% identity, 99% coverage: 4:250/250 of query aligns to 8:256/257 of A0A1A9TAK5

query
sites
A0A1A9TAK5

S

S

L

L

S

E

G

G

K

T

V

T

A

A

V

L

V

V

T

T

G

G

A

G

S
x
T

S
x
K

G
|
G

I
|
I

G

G

H

H

A

A

I

I

A

V

Q

E

R

E

F

L

L

V

A

G

E

F

G

G

A

A

K

R

V

V

A

Y

V

T

F

C

A
x
S

R
|
R

N

N

A

E

A

A

A

E

L

L

A

R

D

K

L

C

A

L

K

Q

G

E

R

W

E

E

D

N

S

L

V

K

L

Y

A

D

V

V

T

T

G

G

-

S

-

V

-

C

D
|
D

V
|
V

T

S

C

S

A

R

A

T

D

E

L

R

E

E

R

K

L

L

V

A

A

E

E

E

T

V

V

S

K

S

R

V

F

F

G

N

G

G

-

K

V

L

D

N

M

I

V

L

I

I

P

N

N
|
N

A
|
A

G
|
G

I

G

A
x
Y

K

V

V

N

V

K

P

P

F

I

E

D

Q

G

S

F

D

T

A

A

A

E

A

D

I

F

D

S

H

F

Q

L

F

V

A

A

V

V

N

N

F

L

T

E

G

S

A

A

V

F

Q

H

T

L

V

C

R

Q

G

L

F

A

L

H

P

P

H

M

I

L

R

K

Q

A

G

S

G

G

-

T

-

G

S

S

V

I

L

V

F

H

V

I

T

S

F
x
C

L

C

T

A

Q

Q

V

I

G

A

F

I

P

P

G

G

L

H

A

S

I

I

Y
|
Y

S

S

A

S

S

T

K
|
K

A

G

A

A

L

I

K

N

S

Q

F

L

S

T

Q

R

T

N

L

L

A

A

A

C

E

E

L

W

A

A

P

K

K

D

G

N

I

I

R

R

V

T

N

N

S

S

V

I

A

A

P

P

G

G

P

A

I
|
I

G
x
R

T
|
T

P
|
P

I
x
G

W
x
T

G

E

S

S

I

F

G

V

L

I

P

D

A

K

D

D

V

A

L

L

Q

D

A

-

V

-

A

-

T

-

Q

R

V

E

T

V

A

S

R

R

L

V

M

P

P

F

G

G

A

R

F

I

G

G

E

E

P

P

G

E

D

E

I

V

A

A

A

S

T

L

A

A

F

F

L

L

C

C

S

M

D

P

Q

S

A

A

K

S

N

Y

I

I

W

T

G

G

Q

Q

E

V

I

I

V

C

V

V

D

D

G

G

Y

R

T

T

I

I

G

N

TKGI 20:23 (≠ SSGI 16:19) binding
SR 42:43 (≠ AR 38:39) binding
DV 68:69 (= DV 61:62) binding
NAG 96:98 (= NAG 88:90) binding
Y100 (≠ A92) binding
C149 (≠ F139) binding
Y161 (= Y151) binding
K165 (= K155) binding
IRTPGT 194:199 (≠ IGTPIW 184:189) binding

3ay6B Crystal structure of bacillus megaterium glucose dehydrogenase 4 a258f mutant in complex with nadh and d-glucose (see paper)
36% identity, 99% coverage: 1:248/250 of query aligns to 7:257/267 of 3ay6B

query
sites
3ay6B

M

M

T

Y

S

T

S

D

L

L

S

K

G

D

K

K

V

V

A

V

V

V

V

I

T

T

G
|
G

A

G

S

S

S
x
T

G
|
G

I
x
L

G

G

H

R

A

A

I

M

A

A

Q

V

R

R

F

F

L

G

A

Q

E

E

G

E

A

A

K

K

V

V

A

V

V

I

-

N

F

Y

A
x
Y

R

N

N

N

A

E

L

A

A

L

D

D

L

A

A

K

K

K

G

E

R

V

E

E

D

E

S

A

-

G

-

Q

V

A

L

I

A

I

V

V

T

Q

G

G

D
|
D

V
|
V

T

T

C

K

A

E

D

D

L

V

E

V

R

N

L

L

V

V

A

Q

E

T

T

A

V

I

K

K

R

E

F

F

G

G

G

T

V

L

D

D

M

V

V

M

I

I

P

N

N
|
N

A
|
A

G
|
G

I
x
V

A
x
E

K

N

V

P

V

V

P

P

F

S

E

H

Q

E

S

L

D

S

A

L

A

D

A

N

I

W

D

N

H

K

Q

V

F

I

A

D

V

T

N

N

F

L

T

T

G

G

A

A

V

F

Q

L

T

G

V

S

R

R

G

E

F

A

L

I

P

K

H

Y

I

F

R

V

Q

E

G

N

-

D

-

I

-

K

G

G

S

N

V

V

L

I

F

N

V
x
M

T

S

T
x
S

F

V

L
x
H

T

E

Q

M

V

I

G

P

F
x
W

P

P

G

L

L

F

A

V

I

H

Y
|
Y

S

A

A

A

S

S

K
|
K

A

G

L

M

K

K

S

L

F

M

S

T

Q

E

T

T

L

L

A

A

A

L

E

E

L

Y

A

A

P

P

K

K

G

G

I

I

R

R

V

V

N

N

S

N

V

I

A

G

P
|
P

G
|
G

P

A

I
x
M

G

N

T
|
T

P
|
P

I
|
I

W

-

G

-

S
x
N

I

A

G

E

L
x
K

P

F

A

A

D

D

V

P

L

V

Q

Q

A

-

V

-

A

R

T

A

Q

D

V

V

T

E

A

S

R

M

L

I

M

P

P

M

G

G

A

Y

F

I

G

G

E

K

P

P

G

E

D

E

I

V

A

A

T

V

A

A

F

F

L

L

C

A

S

S

D

S

Q

Q

A

A

K

S

N

Y

I

V

W

T

G

G

Q

I

E

T

I

L

V

F

V

A

D

D

G

G

Y

M

T

T

active site: G24 (= G18), S151 (≠ T138), Y164 (= Y151), K168 (= K155)
binding beta-D-glucopyranose: E102 (≠ A92), S151 (≠ T138), H153 (≠ L140), W158 (≠ F145), Y164 (= Y151), N202 (≠ S191), K205 (≠ L194)
binding 1,4-dihydronicotinamide adenine dinucleotide: G20 (= G14), T23 (≠ S17), G24 (= G18), L25 (≠ I19), Y45 (≠ A38), D71 (= D61), V72 (= V62), N98 (= N88), A99 (= A89), G100 (= G90), V101 (≠ I91), M149 (≠ V136), S151 (≠ T138), Y164 (= Y151), K168 (= K155), P194 (= P181), G195 (= G182), M197 (≠ I184), T199 (= T186), P200 (= P187), I201 (= I188), N202 (≠ S191)

Q9BTZ2 Dehydrogenase/reductase SDR family member 4; NADPH-dependent carbonyl reductase; CR; NADPH-dependent retinol dehydrogenase/reductase; NRDR; humNRDR; Peroxisomal short-chain alcohol dehydrogenase; PSCD; SCAD-SRL; Short chain dehydrogenase/reductase family 25C member 2; Protein SDR25C2; Short-chain dehydrogenase/reductase family member 4; EC 1.1.1.184 from Homo sapiens (Human) (see 2 papers)
36% identity, 97% coverage: 5:246/250 of query aligns to 30:273/278 of Q9BTZ2

query
sites
Q9BTZ2

L

L

S

A

G

N

K

K

V

V

A

A

V

L

V

V

T

T

G

A

A

S

S

T

S

D

G

G

I

I

G

G

H

F

A

A

I

I

A

A

Q

R

R

R

F

L

L

A

A

Q

E

D

G

G

A

A

K

H

V

V

A

V

V

V

F

S

A

S

R

R

N

K

A

Q

A

N

L

V

A

D

D

Q

L

A

A

V

K

A

G

T

R

L

E

Q

D

G

S

E

V

G

L

L

A

S

V

V

T

T

G

G

D

T

V

V

T

-

C

C

-

H

-

V

-

G

-

K

A

A

A

E

D

D

L

R

E

E

R

R

L

L

V

V

A

A

E

T

T

A

V

V

K

K

R

L

F

H

G

G

V

I

D

D

M

I

V

L

I

V

P

S

N

N

A

A

G

A

I

V

A

N

K

-

V

-

P

P

F

F

E

F

Q

G

S

S

-

I

-

M

-

D

-

V

D

T

A

E

A

V

I

W

D

D

H

K

Q

T

F

L

A

D

V

I

N

N

F

V

T

K

G

A

A

P

V

A

Q

L

T

M

V

T

R

K

G

A

F

V

L

V

P

P

H

E

I

M

-

E

-

K

R

R

Q

G

G

G

S

S

V

V

L

V

F

I

V

V

T

S

F

I

L

A

T

A

Q

F

V

S

G

P

F
x
S

P

P

G

G

L
x
F

A

S

I

P

Y

Y

S

N

A

V

S

S

K

K

A

T

A

A

L

L

K

L

S

G

F

L

S

T

Q

K

T
|
T

L

L

A

A

A

I

E

E

L

L

A

A

P

P

K

R

G

N

I

I

R

R

V

V

N

N

S

C

V

L

A

A

P

P

G

G

P

L

I

I

G

K

T

T

P

S

I

F

W

S

G

R

S

M

I

L

G

W

L

M

P

D

A

K

D

E

V

K

L

E

Q

E

A

S

V

M

A

K

T

E

Q

T

V

L

T

R

A

I

R

R

L

R

M

L

P

-

G

-

A

-

F

-

G

G

E

E

P

P

G

E

D

D

I

C

A

A

A

G

T

I

A

V

A

S

F

F

L

L

C

C

S

S

D

E

Q

D

A

A

K

S

N

Y

I

I

W

T

G

G

Q

E

E

T

I

V

V

V

D

G

G

G

S176 (≠ F145) Responsible for the stereoselective reduction of 3-ketosteroids into 3beta-hydroxysteroids and benzil into R-benzoin; mutation to F: Decreased reduction activity for benzil, isatin and retinal and increased activity for 5beta-Pregnane-3,20-dione and 5beta-Dihydrotestosterone. No change of stereoselectivity in 3-ketosteroids reduction and no change in 3beta-hydroxysteroid oxidation. Decreased reduction activity for isatin and increased activity for 5beta-Pregnane-3,20-dione, 5beta-Dihydrotestosterone, benzil and retinal; when associated with L-179. Change in stereoselective activity by the reduction of 5beta-Pregnane-3,20-dione predominantly to the 3alpha-hydroxysteroid; when associated with L-179. Switch from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with L-179. Loss of cold catalytic inactivation; when associated with L-179 and N-195. Increased reduction activity for renital and oxidation activity for retinol; when associated with L-179 and N-195.
F179 (≠ L148) Responsible for the stereoselective reduction of 3-ketosteroids into 3beta-hydroxysteroids and benzil into R-benzoin; mutation to L: Decreased reduction activity for isatin and increased activity for 5beta-Pregnane-3,20-dione, 5beta-Dihydrotestosterone, benzil and retinal; when associated with F-176. Change in stereoselective activity by the reduction of 5beta-Pregnane-3,20-dione predominantly to the 3alpha-hydroxysteroid; when associated with F-176. Switch from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with F-176. Loss of cold catalytic inactivation; when associated with F-176 and N-195. Increased reduction activity for renital and oxidation activity for retinol; when associated with F-176 and N-195.
T195 (= T164) mutation to N: Loss of cold catalytic inactivation. Loss of cold catalytic inactivation; when associated with F-176 and L-179. Switch in stereoselective activity from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with F-176 and L-179. Increased reduction activity for renital and oxidation activity for retinol; when associated with F-176 and L-179.

Q6WVP7 NADP-dependent (R)-specific alcohol dehydrogenase; (R)-specific ADH; Ketoreductase; KRED; EC 1.1.1.- from Lentilactobacillus kefiri (Lactobacillus kefiri) (see paper)
37% identity, 99% coverage: 1:248/250 of query aligns to 1:250/252 of Q6WVP7

query
sites
Q6WVP7

M

M

T

T

S

D

S

R

L

L

S

K

G

G

K

K

V

V

A

A

V

I

V

V

T

T

G

G

A

G

S
x
T

S
x
L

G
|
G

I
|
I

G

G

H

L

A

A

I

I

A

A

Q

D

R

K

F

F

L

V

A

E

E

E

G

G

A

A

K

K

V

V

A

V

V

I

F

T

A

G

R
|
R

N
x
H

A

A

A

D

A

V

L

G

A

E

D

K

L

A

A

A

K

K

-

S

-

I

G

G

R

G

E

T

D

D

S

V

V

I

L

R

A

F

V

V

T

Q

G

H

D
|
D

V
x
A

T

S

C

D

A

E

A

A

D

G

L

W

E

T

R

K

L

L

V

F

A

D

E

T

T

T

V

E

K

E

R

A

F

F

G

G

G

P

V

V

D

T

M

T

V

V

I

V

P

N

N
|
N

A

A

G

G

I

I

A

A

K

V

V

S

V

K

P

S

F

V

E

E

Q

D

S

T

D

T

A

T

A

E

I

W

D

R

H

K

Q

L

F

L

A

S

V

V

N

N

F

L

T

D

G

G

A

V

V

F

Q

F

T

G

V

T

R

R

G

L

F

G

L

I

P

Q

H

R

I

M

R

K

Q

N

-

K

-

G

-

L

G

G

G

A

S

S

V

I

L

I

F

N

V

M

T

S

F

I

L

E

T

G

Q

F

V

V

G

G

F

D

P

P

G

T

L

L

A

G

I

A

Y
|
Y

S

N

A

A

S

S

K
|
K

A

G

A

A

L

V

K

R

S

I

F

M

S

S

Q

K

T

S

L

A

A

A

A

L

E

D

L

C

A

A

P

L

K

K

-

D

-

Y

G

D

I

V

R

R

V

V

N

N

S

T

V

V

A

H

P

P

G

G

P

Y

I
|
I

G
x
K

T
|
T

P
|
P

I
x
L

W

-

G

-

S

-

I

-

G

-

L

-

P

-

A

V

D

D

V

D

L

L

Q

E

A

G

V

A

A

E

T

E

Q

M

V

M

T

S

A

Q

R

R

L

T

M

K

P

T

-

P

-

M

G

G

A

H

F

I

G

G

E

E

P

P

G

N

D

D

I

I

A

A

A

W

T

I

A

C

A

V

F

Y

L

L

C

A

S

S

D

D

Q

E

A

S

K

K

N

F

I

A

W

T

G

G

Q

A

E

E

I

F

V

V

D

D

G

G

Y

Y

T

T

TLGI 16:19 (≠ SSGI 16:19) binding
RH 39:40 (≠ RN 39:40) binding
DA 63:64 (≠ DV 61:62) binding
N90 (= N88) binding
Y156 (= Y151) binding
K160 (= K155) binding
IKTPL 191:195 (≠ IGTPI 184:188) binding

Sites not aligning to the query:

252 binding

3o4rA Crystal structure of human dehydrogenase/reductase (sdr family) member 4 (dhrs4)
36% identity, 97% coverage: 5:246/250 of query aligns to 6:249/254 of 3o4rA

query
sites
3o4rA

L

L

S

A

G

N

K

K

V

V

A

A

V

L

V

V

T

T

G
x
A

A

S

S
x
T

S
x
D

G
|
G

I
|
I

G

G

H

F

A

A

I

I

A

A

Q

R

R

R

F

L

L

A

A

Q

E

D

G

G

A

A

K

H

V

V

A

V

V

V

F

S

A
x
S

R
|
R

N
x
K

A

Q

A
x
N

L

V

A

D

D

Q

L

A

A

V

K

A

G

T

R

L

E

Q

D

G

S

E

V

G

L

L

A

S

V

V

T

T

G

G

D

T

V

V

T

-

C

C

-
x
H

-
x
V

-

G

-

K

A

A

A

E

D

D

L

R

E

E

R

R

L

L

V

V

A

A

E

T

T

A

V

V

K

K

R

L

F

H

G

G

V

I

D

D

M

I

V

L

I

V

P

S

N
|
N

A

A

G
x
A

I

V

A

N

K

-

V

-

P

P

F

F

E

F

Q

G

S

S

-

I

-

M

-

D

-

V

D

T

A

E

A

V

I

W

D

D

H

K

Q

T

F

L

A

D

V

I

N

N

F

V

T

K

G

A

A

P

V

A

Q

L

T

M

V

T

R

K

G

A

F

V

L

V

P

P

H

E

I

M

-

E

-

K

R

R

Q

G

G

G

S

S

V

V

L

V

F

I

V

V

T

S

T
x
S

F

I

L

A

T

A

Q

F

V

S

G

P

F

S

P

P

G

G

L
x
F

A

S

I

P

Y
|
Y

S

N

A

V

S

S

K
|
K

A

T

A

A

L

L

K

L

S

G

F

L

S

T

Q

K

T

T

L

L

A

A

A

I

E

E

L

L

A

A

P

P

K

R

G

N

I

I

R

R

V

V

N

N

S

C

V

L

A

A

P
|
P

G
|
G

P
x
L

I
|
I

G

K

T
|
T

P

S

I
x
F

W
x
S

G

R

S

M

I

L

G

W

L

M

P

D

A
x
K

D

E

V

K

L

E

Q

E

A

S

V

M

A

K

T

E

Q

T

V

L

T

R

A

I

R

R

L

R

M

L

P

-

G

-

A

-

F

-

G

G

E

E

P

P

G

E

D

D

I

C

A

A

A

G

T

I

A

V

A

S

F

F

L

L

C

C

S

S

D

E

Q

D

A

A

K

S

N

Y

I

I

W

T

G

G

Q

E

E

T

I

V

V

V

D

G

G

G

active site: G19 (= G18), S145 (≠ T138), F155 (≠ L148), Y158 (= Y151), K162 (= K155), K203 (≠ A196)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A15 (≠ G14), T17 (≠ S16), D18 (≠ S17), G19 (= G18), I20 (= I19), S39 (≠ A38), R40 (= R39), K41 (≠ N40), N44 (≠ A43), H65 (vs. gap), V66 (vs. gap), N92 (= N88), A94 (≠ G90), S145 (≠ T138), Y158 (= Y151), K162 (= K155), P188 (= P181), G189 (= G182), L190 (≠ P183), I191 (= I184), T193 (= T186), F195 (≠ I188), S196 (≠ W189)

7ejhA Crystal structure of kred mutant-f147l/l153q/y190p/l199a/m205f/m206f and 2-hydroxyisoindoline-1,3-dione complex
37% identity, 99% coverage: 1:248/250 of query aligns to 2:251/253 of 7ejhA

query
sites
7ejhA

M

M

T

T

S

D

S

R

L

L

S

K

G

G

K

K

V

V

A

A

V

I

V

V

T

T

G
|
G

A

G

S
x
T

S

L

G

G

I
|
I

G

G

H

L

A

A

I

I

A

A

Q

D

R

K

F

F

L

V

A

E

E

E

G

G

A

A

K

K

V

V

A

V

V

I

F

T

A

G

R
|
R

N
x
H

A

A

A

D

A

V

L

G

A

E

D

K

L

A

A

A

K

K

-

S

-

I

G

G

R

G

E

T

D

D

S

V

V

I

L

R

A

F

V

V

T

Q

G

H

D
|
D

V
x
A

T

S

C

D

A

E

A

A

D

G

L

W

E

T

R

K

L

L

V

F

A

D

E

T

T

T

V

E

K

E

R

A

F

F

G

G

G

P

V

V

D

T

M

T

V

V

I

V

P

N

N
|
N

A
|
A

G

G

I

I

A

A

K

V

V

S

V

K

P

S

F

V

E

E

Q

D

S

T

D

T

A

T

A

E

I

W

D

R

H

K

Q

L

F

L

A

S

V
|
V

N

N

F

L

T

D

G

G

A

V

V

F

Q

F

T

G

V

T

R

R

G

L

F

G

L

I

P

Q

H

R

I

M

R

K

Q

N

-

K

-

G

-

L

G

G

G

A

S

S

V

I

L

I

F

N

V
x
M

T

S

T
x
S

F
x
I

L
x
E

T

G

Q

L

V

V

G

G

F

D

P

P

G

T

L

Q

A

G

I

A

Y
|
Y

S

N

A

A

S

S

K
|
K

A

G

A

A

L

V

K

R

S

I

F

M

S

S

Q

K

T

S

L

A

A

A

A

L

E

D

L

C

A

A

P

L

K

K

-

D

-

Y

G

D

I

V

R

R

V

V

N

N

S

T

V

V

A

H

P
|
P

G
|
G

P
|
P

I
|
I

G

K

T
|
T

P
|
P

I
x
L

W
x
V

G

D

S

D

I

-

G

-

L

-

P

-

A

A

D

E

V

G

L

A

Q

E

A

E

V

F

A
x
F

T

S

Q

Q

V

R

T

T

A

K

R

T

L

P

M

M

P

-

G

G

A

H

F

I

G

G

E

E

P

P

G

N

D

D

I

I

A

A

A

W

T

I

A

C

A

V

F

Y

L

L

C

A

S

S

D

D

Q

E

A

S

K

K

N

F

I

A

W

T

G

G

Q

A

E

E

I

F

V

V

D

D

G

G

Y

Y

T

T

binding 2-oxidanylisoindole-1,3-dione: S144 (≠ T138), I145 (≠ F139), E146 (≠ L140), Y157 (= Y151), V197 (≠ W189), F207 (≠ A203)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G14), T17 (≠ S16), I20 (= I19), R40 (= R39), H41 (≠ N40), D64 (= D61), A65 (≠ V62), N91 (= N88), A92 (= A89), V114 (= V111), M142 (≠ V136), S144 (≠ T138), Y157 (= Y151), K161 (= K155), P189 (= P181), G190 (= G182), P191 (= P183), I192 (= I184), T194 (= T186), P195 (= P187), L196 (≠ I188)

2cfcA Structural basis for stereo selectivity in the (r)- and (s)-hydroxypropylethane thiosulfonate dehydrogenases (see paper)
35% identity, 96% coverage: 8:248/250 of query aligns to 3:248/250 of 2cfcA

query
sites
2cfcA

K

R

V

V

A

A

V

I

V

V

T

T

G
|
G

A

A

S

S

S
|
S

G
|
G

I
x
N

G

G

H

L

A

A

I

I

A

A

Q

T

R

R

F

F

L

L

A

A

E

R

G

G

A

D

K

R

V

V

A

A

V

A

F

L

A
x
D

R
x
L

N

S

A

A

A

E

A

T

L

L

A

E

D

E

L

T

A

A

K

R

G

T

R

H

-

W

-

H

-

A

-

Y

E

A

D

D

S

K

V

V

L

L

A

R

V

V

T

R

G
x
A

D
|
D

V
|
V

T

A

C

D

A

E

A

G

D

D

L

V

E

N

R

A

L

A

V

I

A

A

E

A

T

T

V

M

K

E

R

Q

F

F

G

G

G

A

V

I

D

D

M

V

V

L

I

V

P

N

N
|
N

A
|
A

G
|
G

I

I

A

T

-

G

-

N

-

S

-

E

-

A

-

G

-

V

-

L

K

H

V

T

P

P

F

V

E

E

Q

Q

S

-

D

-

A

-

I

F

D

D

H

K

Q

V

F

M

A

A

V

V

N

N

F

V

T

R

G

G

A

I

V

F

Q

L

T

G

V

C

R

R

G

A

F

V

L

L

P

P

H

H

-

M

I

L

R

L

Q

Q

G

G

-

A

G

G

S

V

V

I

L

V

F

N

V
x
I

T

A

T
x
S

F

V

L

A

T

S

Q

L

V

V

G

A

F
|
F

P

P

G

G

L
x
R

A

S

I

A

Y
|
Y

S

T

A

T

S

S

K
|
K

A

G

A

A

L

V

K

L

S

Q

F

L

S

T

Q

K

T

S

L

V

A

A

A

V

E

D

L

Y

A

A

P

G

K

S

G

G

I

I

R

R

V

C

N

N

S

A

V

V

A

C

P
|
P

G
|
G

P
x
M

I
|
I

G

E

T
|
T

P
|
P

I
x
M

-
x
T

-

Q

W
|
W

G

-

S
x
R

I

L

G

D

L

Q

P

P

A

-

D

-

V

-

L

-

Q

-

A

E

V

L

A

R

T

D

Q

Q

V

V

T

L

A

A

R

R

L

I

M

P

P

Q

G

K

A

E

F

I

G

G

E

T

P

A

G

A

D

Q

I

V

A

A

A

D

T

A

A

V

A

M

F

F

L

L

C

A

S

G

D

E

Q

D

A

A

K

T

N

Y

I

V

W

N

G

G

Q

A

E

A

I

L

V

V

V

M

D

D

G

G

G

A

Y

Y

T

T

active site: G13 (= G18), S142 (≠ T138), Y155 (= Y151), K159 (= K155)
binding (2-[2-ketopropylthio]ethanesulfonate: F149 (= F145), R152 (≠ L148), Y155 (= Y151), W195 (= W189), R196 (≠ S191)
binding nicotinamide-adenine-dinucleotide: G9 (= G14), S12 (= S17), G13 (= G18), N14 (≠ I19), D33 (≠ A38), L34 (≠ R39), A59 (≠ G60), D60 (= D61), V61 (= V62), N87 (= N88), A88 (= A89), G89 (= G90), I140 (≠ V136), P185 (= P181), G186 (= G182), M187 (≠ P183), I188 (= I184), T190 (= T186), P191 (= P187), M192 (≠ I188), T193 (vs. gap)

Q56840 2-(R)-hydroxypropyl-CoM dehydrogenase; R-HPCDH; 2-[(R)-2-hydroxypropylthio]ethanesulfonate dehydrogenase; Aliphatic epoxide carboxylation component III; Epoxide carboxylase component III; RHPCDH1; EC 1.1.1.268 from Xanthobacter autotrophicus (strain ATCC BAA-1158 / Py2) (see 4 papers)
35% identity, 96% coverage: 8:248/250 of query aligns to 3:248/250 of Q56840

query
sites
Q56840

K

R

V

V

A

A

V

I

V

V

T

T

G

G

A

A

S

S

S
|
S

G
|
G

I
x
N

G

G

H

L

A

A

I

I

A

A

Q

T

R

R

F

F

L

L

A

A

E

R

G

G

A

D

K

R

V

V

A

A

V

A

F

L

A
x
D

R

L

N

S

A

A

A

E

A

T

L

L

A

E

D

E

L

T

A

A

K

R

G

T

R

H

-

W

-

H

-

A

-

Y

E

A

D

D

S

K

V

V

L

L

A

R

V

V

T

R

G

A

D
|
D

V
|
V

T

A

C

D

A

E

A

G

D

D

L

V

E

N

R

A

L

A

V

I

A

A

E

A

T

T

V

M

K

E

R

Q

F

F

G

G

G

A

V

I

D

D

M

V

V

L

I

V

P

N

N
|
N

A

A

G

G

I

I

A

T

-

G

-

N

-

S

-

E

-

A

-

G

-

V

-

L

K

H

V

T

P

P

F

V

E

E

Q

Q

S

-

D

-

A

-

I

F

D

D

H

K

Q

V

F

M

A

A

V

V

N

N

F

V

T

R

G

G

A

I

V

F

Q

L

T

G

V

C

R

R

G

A

F

V

L

L

P

P

H

H

-

M

I

L

R

L

Q

Q

G

G

-

A

G

G

S

V

V

I

L

V

F

N

V

I

T

A

T
x
S

F

V

L

A

T

S

Q

L

V

V

G

A

F

F

P

P

G

G

L
x
R

A

S

I

A

Y
|
Y

S

T

A

T

S

S

K
|
K

A

G

A

A

L

V

K

L

S

Q

F

L

S

T

Q

K

T

S

L

V

A

A

A

V

E

D

L

Y

A

A

P

G

K

S

G

G

I

I

R
|
R

V

C

N

N

S

A

V

V

A

C

P

P

G

G

P

M

I
|
I

G
x
E

T
|
T

P
|
P

I
x
M

-

T

-

Q

W
|
W

G

-

S
x
R

I

L

G

D

L

Q

P

P

A

-

D

-

V

-

L

-

Q

-

A

E

V

L

A
x
R

T

D

Q

Q

V

V

T

L

A

A

R
|
R

L

I

M

P

P

Q

G

K

A

E

F

I

G

G

E

T

P

A

G

A

D

Q

I

V

A

A

A

D

T

A

A

V

A

M

F

F

L

L

C

A

S

G

D

E

Q

D

A

A

K

T

N

Y

I

V

W

N

G

G

Q

A

E

A

I

L

V

V

V

M

D

D

G

G

G

A

Y

Y

T

T

SGN 12:14 (≠ SGI 17:19) binding
D33 (≠ A38) binding
DV 60:61 (= DV 61:62) binding
N87 (= N88) binding
S142 (≠ T138) mutation to A: Retains weak activity. 120-fold decrease in kcat.; mutation to C: Loss of activity.
R152 (≠ L148) binding ; mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
Y155 (= Y151) mutation Y->E,F: Loss of activity.
K159 (= K155) mutation to A: Loss of activity.
R179 (= R175) mutation to A: Loss of activity.
IETPM 188:192 (≠ IGTPI 184:188) binding
W-R 195:196 (≠ WGS 189:191) binding
R196 (≠ S191) mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
R203 (≠ A203) mutation to A: Slight decrease in catalytic efficiency.
R209 (= R209) mutation to A: Does not affect catalytic efficiency.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

7ejiB Crystal structure of kred f147l/l153q/y190p/l199a/m205f/m206f variant and methyl methacrylate complex
37% identity, 99% coverage: 2:248/250 of query aligns to 1:249/251 of 7ejiB

query
sites
7ejiB

T

T

S

D

S

R

L

L

S

K

G

G

K

K

V

V

A

A

V

I

V

V

T

T

G
|
G

A

G

S
x
T

S
x
L

G
|
G

I
|
I

G

G

H

L

A

A

I

I

A

A

Q

D

R

K

F

F

L

V

A

E

E

E

G

G

A

A

K

K

V

V

A

V

V

I

F

T

A

G

R
|
R

N
x
H

A

A

A

D

A

V

L

G

A

E

D

K

L

A

A

A

K

K

-

S

-

I

G

G

R

G

E

T

D

D

S

V

V

I

L

R

A

F

V

V

T

Q

G

H

D
|
D

V
x
A

T

S

C

D

A

E

A

A

D

G

L

W

E

T

R

K

L

L

V

F

A

D

E

T

T

T

V

E

K

E

R

A

F

F

G

G

G

P

V

V

D

T

M

T

V

V

I

V

P

N

N
|
N

A
|
A

G

G

I

I

A

A

K

V

V

S

V

K

P

S

F

V

E

E

Q

D

S

T

D

T

A

T

A

E

I

W

D

R

H

K

Q

L

F

L

A

S

V
|
V

N

N

F

L

T

D

G

G

A

V

V

F

Q

F

T

G

V

T

R

R

G

L

F

G

L

I

P

Q

H

R

I

M

R

K

Q

N

-

K

-

G

-

L

G

G

G

A

S

S

V

I

L

I

F

N

V
x
M

T

S

T
x
S

F
x
I

L

E

T

G

Q

L

V

V

G

G

F

D

P

P

G

T

L

Q

A

G

I

A

Y
|
Y

S

N

A

A

S

S

K
|
K

A

G

A

A

L

V

K

R

S

I

F

M

S

S

Q

K

T

S

L

A

A

A

A

L

E

D

L

C

A

A

P

L

K

K

-

D

-

Y

G

D

I

V

R

R

V

V

N

N

S

T

V

V

A

H

P
|
P

G

G

P
|
P

I
|
I

G

K

T
|
T

P
|
P

I
x
L

W

V

G

D

S

D

I

-

G

-

L

-

P

-

A

A

D

E

V

G

L

A

Q

E

A

E

V

F

A
x
F

T

S

Q

Q

V

R

T

T

A

K

R

T

L

P

M

M

P

-

G

G

A

H

F

I

G

G

E

E

P

P

G

N

D

D

I

I

A

A

A

W

T

I

A

C

A

V

F

Y

L

L

C

A

S

S

D

D

Q

E

A

S

K

K

N

F

I

A

W

T

G

G

Q

A

E

E

I

F

V

V

D

D

G

G

Y

Y

T

T

binding methyl 2-methylprop-2-enoate: S142 (≠ T138), I143 (≠ F139), Y155 (= Y151), F205 (≠ A203)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G14), T15 (≠ S16), L16 (≠ S17), G17 (= G18), I18 (= I19), R38 (= R39), H39 (≠ N40), D62 (= D61), A63 (≠ V62), N89 (= N88), A90 (= A89), V112 (= V111), M140 (≠ V136), S142 (≠ T138), Y155 (= Y151), K159 (= K155), P187 (= P181), P189 (= P183), I190 (= I184), T192 (= T186), P193 (= P187), L194 (≠ I188)

5t5qC Crystal structure of short-chain dehydrogenase/reductase sdr:glucose/ribitol dehydrogenase from brucella melitensis
32% identity, 98% coverage: 1:246/250 of query aligns to 1:241/245 of 5t5qC

query
sites
5t5qC

M

M

T

K

S

F

S

E

L

F

S

E

G

N

K

R

V

T

A

L

V

V

V

L

T

T

G

G

A

A

S
x
N

S
x
G

G
|
G

I
|
I

G

G

H

R

A

A

I

I

A

A

Q

E

R

L

F

F

L

H

A

A

E

S

G

G

A

A

K

N

V

L

A

V

V

L

F

T

A
x
D

R
x
L

N

D

A

R

A

E

A

G

L

L

A

D

D

A

L

F

A

A

K

A

-

S

-

L

G

G

R

S

E

P

D

E

S

R

V

I

L

A

A

T

V

I

T

K

G

A

D
|
D

V
x
A

T

S

C

S

A

A

A

D

D

D

L

A

E

E

R

K

L

T

V

V

A

A

E

L

T

A

V

M

K

E

R

R

F

F

G

G

V

I

D

D

M

F

V

L

I

V

P

P

N
x
S

A

A

G

G

I

I

A

Y

K

Q

V

A

V

K

P

P

F

F

E

A

Q

E

S

M

D

S

A

D

A

A

A

D

I

W

D

H

H

R

Q

T

F

I

A

S

V
x
I

N

N

F

L

T

D

G

G

A

V

V

F

Q

Y

T

L

V

C

R

K

G

R

F

A

L

L

P

P

H

A

I

L

R

K

Q

E

G

D

G

S

S

S

V

I

L

V

F

T

V

L

T

A

T
x
S

F

L

L

A

T

A

Q

Y

V

R

G

G

F

A

P

Y

G

V

L
x
N

A

A

I

H

Y
|
Y

S

G

A

A

S

T

K
|
K

A

G

A

A

L

M

K

V

S

S

F

M

S

T

Q

R

T

A

L

L

A

S

A

R

E

E

L

L

A

A

P

P

K

K

G

-

I

T

R

R

V

V

N

N

S

G

V

V

A

S

P
|
P

G

G

P

I

I
|
I

G

E

T
|
T

P

P

I

-

W

-

G

-

S

-

I

-

G

-

L
x
M

P

T

A

S

D

E

V

L

L

L

Q

K

A

T

V

R

A

M

T

D

Q

E

V

T

T

M

A

T

R

Q

L

T

M

P

P

L

G

K

A

R

F

L

G

G

E

K

P

P

G

S

D

E

I

I

A

A

A

S

T

V

A

I

A

A

F

F

L

L

C

C

S

S

D

P

Q

A

A

A

K

S

N

F

I

V

W

T

G

G

Q

E

E

T

I

I

V

Q

V

V

D

N

G

G

active site: G18 (= G18), S140 (≠ T138), N150 (≠ L148), Y153 (= Y151), K157 (= K155)
binding nicotinamide-adenine-dinucleotide: N16 (≠ S16), G17 (≠ S17), G18 (= G18), I19 (= I19), D38 (≠ A38), L39 (≠ R39), D63 (= D61), A64 (≠ V62), S90 (≠ N88), I113 (≠ V111), Y153 (= Y151), K157 (= K155), P182 (= P181), I185 (= I184), T187 (= T186), M189 (≠ L194)

Q48436 Diacetyl reductase [(S)-acetoin forming]; Acetoin(diacetyl) reductase; AR; Meso-2,3-butanediol dehydrogenase; EC 1.1.1.304 from Klebsiella pneumoniae (see paper)
33% identity, 96% coverage: 8:246/250 of query aligns to 3:252/256 of Q48436

query
sites
Q48436

K

K

V

V

A

A

V
x
L

V
|
V

T
|
T

G
|
G

A
|
A

S
x
G

S
x
Q

G
|
G

I
|
I

G
|
G

H
x
K

A
|
A

I
|
I

A
|
A

Q
x
L

R
|
R

F
x
L

L
x
V

A
x
K

E
x
D

G
|
G

A
x
F

K
x
A

V
|
V

A
|
A

V
x
I

F
x
A

A
x
D

R

Y

N

N

-

D

-

A

-

T

A

A

A

K

A

A

L

V

A

A

D

S

L

E

A

I

K

N

G

Q

R

A

E

G

D

G

S

R

V

A

L

M

A

A

V

V

T

K

G

V

D
|
D

V

V

T

S

C

D

A

R

A

D

D

Q

L

V

E

F

R

A

L

A

V

V

A

E

E

Q

T

A

V

R

K

K

R

T

F

L

G

G

V

F

D

D

M

V

V

I

I

V

P

N

N

N

A

A

G

G

I

V

A

A

K

P

V

S

V

T

P

P

F

I

E

E

Q

S

S

I

D

T

A

P

A

E

A

I

I

V

D

D

H

K

Q

V

F

Y

A

N

V

I

N

N

F

V

T

K

G

G

A

V

V

I

Q

W

T

G

V

I

R

Q

G

A

F

A

L

V

P

E

H

A

I

F

R

K

Q

K

-

E

-

G

-

H

G

G

S

K

V

I

L

I

F

N

V

A

T

C

T

S

F

Q

L

A

T

G

Q

H

V

V

G

G

F

N

P

P

G

E

L

L

A

A

I

V

Y

Y

S

S

A

S

S

S

K
|
K

A

F

A

A

L

V

K

R

S

G

F

L

S

T

Q

Q

T

T

L

A

A

A

A

R

E

D

L

L

A

A

P

P

K

L

G

G

I

I

R

T

V

V

N

N

S

G

V

Y

A

C

P

P

G

G

P

I

I

V

G

K

T

T

P

P

I

M

W

W

G

A

S

E

I

I

-

D

-

R

-

Q

-

V

-

S

-

E

-

A

G

G

L

K

P

P

A

-

D

-

V

-

L

L

Q

G

A

Y

V

G

A

T

T

A

Q

E

V

F

T

A

A

K

R

R

L

I

M

T

P

L

G

G

A

R

F

L

G

S

E

E

P

P

G

E

D

D

I

V

A

A

T

C

A

V

A

S

F

Y

L

L

C

A

S

S

D

P

Q

D

A

S

K

D

N

Y

I

M

W

T

G

G

Q

Q

E

S

I

L

V

L

V

I

D

D

G

G

6:33 (vs. 11:38, 50% identical) binding
D59 (= D61) binding
K156 (= K155) binding

Query Sequence

>WP_011383322.1 NCBI__GCF_000009985.1:WP_011383322.1
MTSSLSGKVAVVTGASSGIGHAIAQRFLAEGAKVAVFARNAAALADLAKGREDSVLAVTG
DVTCAADLERLVAETVKRFGGVDMVIPNAGIAKVVPFEQSDAAAIDHQFAVNFTGAVQTV
RGFLPHIRQGGSVLFVTTFLTQVGFPGLAIYSASKAALKSFSQTLAAELAPKGIRVNSVA
PGPIGTPIWGSIGLPADVLQAVATQVTARLMPGAFGEPGDIAATAAFLCSDQAKNIWGQE
IVVDGGYTIG

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