SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing HSERO_RS19365 FitnessBrowser__HerbieS:HSERO_RS19365 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)

D4A1J4 Dehydrogenase/reductase SDR family member 6; (R)-beta-hydroxybutyrate dehydrogenase; 3-hydroxybutyrate dehydrogenase type 2; 4-oxo-L-proline reductase; Oxidoreductase UCPA; Short chain dehydrogenase/reductase family 15C member 1; EC 1.1.1.-; EC 1.1.1.30; EC 1.1.1.104 from Rattus norvegicus (Rat) (see paper)
58% identity, 98% coverage: 6:253/254 of query aligns to 2:244/245 of D4A1J4

query
sites
D4A1J4

G

G

R

R

L

L

A

E

G

G

K

K

T

V

V

I

L

V

I

L

T

T

A

A

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Q

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G

G

R

R

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A

S

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T

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E

L

L

A

F

F

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R

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E

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G

A

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K

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V

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D

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N

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E

P

A

H

K

L

L

D

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E

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G

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L

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D

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T

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K

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A

Q

L

F

V

A

A

S

K

E

I

I

G

E

T

K

I

I

D

D

V

V

L

L

F

F

N

N

C

V

A

A

G

G

Y

F

V

V

A

H

G

G

N

T

I

I

L

L

E

D

C

C

D

E

K

K

A

D

W

W

D

D

F

F

S

S

F

M

N

N

L

L

N

N

A

V

K

R

A

S

M

M

F

Y

H

L

T

M

I

I

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K

A

A

V

F

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L

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P

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M

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L

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A

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K

K

A

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G

S

N

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I

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N

I

M

A

S

S

S

A

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A

A

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S

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N

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G

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D

F

F

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Q

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G

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R

C

C

N

N

A

C

I

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C

C

P

P

G

G

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T

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T

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P

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S

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L

N

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Q

E

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R

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I

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-

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-

Q

Q

A

A

K

R

E

D

T

D

G

P

K

K

S

-

E

-

E

E

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A

A

F

F

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L

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G

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K

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A

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A

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L

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C

L

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Y

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L

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Y

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G

W

W

S

S

Y147 (= Y151) mutation to F: Loss of function.

Q8JZV9 Dehydrogenase/reductase SDR family member 6; (R)-beta-hydroxybutyrate dehydrogenase; 3-hydroxybutyrate dehydrogenase type 2; 4-oxo-L-proline reductase; Oxidoreductase UCPA; Short chain dehydrogenase/reductase family 15C member 1; EC 1.1.1.-; EC 1.1.1.30; EC 1.1.1.104 from Mus musculus (Mouse) (see paper)
58% identity, 98% coverage: 6:253/254 of query aligns to 2:244/245 of Q8JZV9

query
sites
Q8JZV9

G

G

R

R

L

L

A

D

G

G

K

K

T

V

V

I

L

V

I

L

T

T

A

A

Q

Q

G

G

I

I

G

G

R

R

A

A

S

S

T

A

E

L

L

A

F

F

A

A

R

R

E

E

G

G

A

A

R

K

V

V

I

I

A

A

T

T

D

D

I

I

S

N

K

E

P

S

H

K

L

L

D

Q

E

E

L

L

A

E

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S

I

Y

A

R

G

G

V

I

E

Q

T

T

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L

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D

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V

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T

D

K

A

R

A

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A

Q

L

F

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A

A

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K

E

I

I

G

E

T

R

I

I

D

D

V

V

L

L

F

F

N

N

C

V

A

A

G

G

Y

F

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V

A

H

G

G

N

T

I

I

L

L

E

D

C

C

D

E

K

K

A

D

W

W

D

D

F

F

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S

F

M

N

N

L

L

N

N

A

V

K

R

A

S

M

M

F

F

H

L

T

M

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I

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A

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L

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M

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K

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G

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S

A

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A

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K

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Q

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L

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R

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-

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E

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T

N

G

P

K

K

S

-

E

-

E

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T

F

F

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L

G

N

R

R

Q

Q

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K

M

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G

G

R

R

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G

A

K

S

A

A

E

E

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V

A

A

A

L

L

L

A

C

L

V

Y

Y

L

L

A

A

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S

D

D

E

E

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S

N

A

F

Y

T

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T

T

G

G

S

N

I

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H

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M

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I

I

D

D

G

G

W

W

S

S

Y147 (= Y151) active site, Proton acceptor; mutation to F: Loss of function.

Q9BUT1 Dehydrogenase/reductase SDR family member 6; (R)-beta-hydroxybutyrate dehydrogenase; 3-hydroxybutyrate dehydrogenase type 2; 4-oxo-L-proline reductase; Oxidoreductase UCPA; Short chain dehydrogenase/reductase family 15C member 1; EC 1.1.1.-; EC 1.1.1.30; EC 1.1.1.104 from Homo sapiens (Human) (see 4 papers)
54% identity, 98% coverage: 6:253/254 of query aligns to 2:244/245 of Q9BUT1

query
sites
Q9BUT1

G

G

R

R

L

L

A

D

G

G

K

K

T

V

V

I

L

I

I

L

T

T

A

A

Q
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Q

G
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G

I
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I

G

G

R

Q

A

A

S

A

T

A

E

L

L

A

F

F

A

A

R

R

E

E

G

G

A

A

R

K

V

V

I

I

A

A

T

T

D
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D

I

I

S

N

K

E

P

S

H

K

L

L

D

Q

E

E

L

L

A

E

G

K

I

Y

A

P

G

G

V

I

E

Q

T

T

H

R

L

V

L

L

D
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D

V

V

T

T

D

K

A

K

A

Q

I

I

K

D

A

Q

L

F

V

A

A
x
N

K

E

I

V

G

E

T

R

I

L

D

D

V

V

L

L

F

F

N

N

C

V

A

A

G

G

Y

F

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V

A

H

G

G

N

T

I

V

L

L

E

D

C

C

D

E

K

K

A

D

W

W

D

D

F

F

S

S

F

M

N

N

L

L

N

N

A

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K

R

A

S

M

M

F

Y

H

L

T

M

I

I

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K

A

A

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F

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L

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P

G

K

M

M

L

L

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A

K

Q

K

K

A

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G

S

N

I

I

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I

N

N

I

M

A

S

S

S

A

V

A

A

S

S

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V

K

K

G

G

V

V

A

V

N

N

R

R

F

C

A

V

Y

Y

G

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A

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S

T

K
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K

A

A

V

V

V

I

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G

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L

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T

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K

S

S

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V

A

A

D

D

F

F

V

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A

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Q

Q

G

G

I

I

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R

C

C

N

N

A

C

I

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C

C

P

P

G

G

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T

I
x
V

E
x
D

S
x
T

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P

S
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S

L

L

N

Q

Q

E

R

R

I

I

S

Q

T

A

Q

R

A

G

K

-

E

-

T

-

G

-

K

-

S

N

E

P

E

E

V

A

R

R

A

N

A

D

F

F

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L

G

K

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R

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Q

P

K

M

T

G

G

R

R

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F

G

A

K

T

A

A

E

E

V

I

A

A

A

M

L

L

A

C

L

V

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

N

A

F

Y

T

V

T

T

G

G

S

N

I

P

H

V

M

I

I

I

D

D

G

G

W

W

S

S

QGI 16:18 (= QGI 20:22) binding
D37 (= D41) binding
D58 (= D62) binding
N70 (≠ A74) to S: in dbSNP:rs1054707
K151 (= K155) binding
VDTPS 180:184 (≠ IESPS 184:188) binding

2ag5A Crystal structure of human dhrs6 (see paper)
54% identity, 98% coverage: 6:253/254 of query aligns to 2:244/246 of 2ag5A

query
sites
2ag5A

G

G

R

R

L

L

A

D

G

G

K

K

T

V

V

I

L

I

I

L

T

T

A

A

Q
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Q

G
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G

I
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I

G

G

R

Q

A

A

S

A

T

A

E

L

L

A

F

F

A

A

R

R

E

E

G

G

A

A

R

K

V

V

I

I

A

A

T

T

D
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D

I
|
I

S

N

K

E

P

S

H

K

L

L

D

Q

E

E

L

L

A

E

G

K

I

Y

A

P

G

G

V

I

E

Q

T

T

H

R

L

V

L

L

D
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D

V
|
V

T

T

D

K

A

K

A

Q

I

I

K

D

A

Q

L

F

V

A

A

N

K

E

I

V

G

E

T

R

I

L

D

D

V

V

L

L

F

F

N

N

C
x
V

A

A

G
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G

Y

F

V

V

A

H

G

G

N

T

I

V

L

L

E

D

C

C

D

E

K

K

A

D

W

W

D

D

F

F

S

S

F

M

N

N

L
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L

N

N

A

V

K

R

A

S

M

M

F

Y

H

L

T

M

I

I

R

K

A

A

V

F

L

L

P

P

G

K

M

M

L

L

A

A

K

Q

K

K

A

S

G

G

S

N

I

I

V

I

N

N

I

M

A

S

S
|
S

A

V

A

A

S

S

V

V

K

K

G

G

V

V

A

V

N

N

R
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R

F

C

A

V

Y
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Y

G

S

A

T

S

T

K
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K

A

A

V

V

V

I

G

G

L

L

T

T

K

K

S

S

V

V

A

A

D

D

F

F

V

I

A

Q

Q

Q

G

G

I

I

R

R

C

C

N

N

A

C

I

V

C

C

P
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P

G

G

T

T

I
x
V

E

D

S
x
T

P

P

S
|
S

L

L

N

Q

Q

E

R
|
R

I

I

S

Q

T

A

Q
x
R

A

G

K

-

E

-

T

-

G

-

K

-

S

N

E

P

E

E

V

A

R

R

A

N

A

D

F
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F

V

L

G

K

R
|
R

Q

Q

P

K

M

T

G

G

R

R

I

F

G

A

K

T

A

A

E

E

V

I

A

A

A

M

L

L

A

C

L

V

Y

Y

L

L

A

A

S

S

D

D

E

E

S

S

N

A

F

Y

T

V

T

T

G

G

S

N

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P

H

V

M

I

I

I

D

D

G

G

W

W

S

S

active site: S133 (= S137), Y147 (= Y151), K151 (= K155), R192 (≠ Q196)
binding nicotinamide-adenine-dinucleotide: Q16 (= Q20), G17 (= G21), I18 (= I22), D37 (= D41), I38 (= I42), D58 (= D62), V59 (= V63), V81 (≠ C85), G83 (= G87), L104 (= L108), Y147 (= Y151), K151 (= K155), P177 (= P181), V180 (≠ I184), T182 (≠ S186), S184 (= S188)
binding sulfate ion: R144 (= R148), R188 (= R192), F202 (= F211), R205 (= R214)

2dtxA Structure of thermoplasma acidophilum aldohexose dehydrogenase (aldt) in complex with d-mannose (see paper)
36% identity, 97% coverage: 8:253/254 of query aligns to 5:246/255 of 2dtxA

query
sites
2dtxA

L

L

A

R

G

D

K

K

T

V

V

V

L

I

I

V

T

T

A

G

A

A

A

S

Q

M

G
|
G

I

I

G

G

R

R

A

A

S

I

T

A

E

E

L

R

F

F

A

V

R

D

E

E

G

G

A

S

R

K

V

V

I

I

A

D

T

L

D

S

I

I

S

H

K

D

P

P

H

-

L

-

D

-

E

-

L

-

A

-

G

G

I

E

A

A

G

K

V

Y

E

D

T

H

H

I

L

E

L

C

D

D

V

V

T

T

D

N

D

P

A

D

A

Q

I

V

K

K

A

A

L

S

V

I

A

D

K

H

I

I

-

F

-

K

-

E

-

Y

G

G

T

S

I

I

D

S

V

V

L

L

F

V

N

N

C

N

A

A

G

G

Y

I

V

E

A

S

A

Y

G

G

N

K

I

I

L

E

E

S

C

M

D

S

D

M

K

G

A

E

W

W

D

R

F

R

S

I

F

I

N

D

L

V

N

N

A

L

K

F

A

G

M

Y

F

Y

H

Y

T

A

I

S

R

K

A

F

V

A

L

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P

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Y

M

M

L

I

A

R

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S

K

R

A

D

G

P

S

S

I

I

V

V

N

N

I

I

A

S

S
|
S

A
x
V

A
x
Q

S

A

S

S

V

I

K

I

G

-

V

T

A

K

N

N

R

A

F

S

A

A

Y
|
Y

G

V

A

T

S
|
S

K
|
K

A

H

A

A

V

V

V

I

G

G

L

L

T

T

K

K

S

S

V

I

A

A

A

L

D

D

F

Y

V

-

A

A

Q

P

G

L

I

L

R

R

C

C

N

N

A

A

I

V

C

C

P

P

G
x
A

T
|
T

I

I

E

D

S

T

P

P

S

L

L

V

N

R

Q

K

R

A

I

A

S

E

T

L

Q

E

A

V

K

G

E

S

T

D

G

P

K

M

S

R

E

I

E

E

E

K

V

K

R

I

A

S

A

E

F

W

V

G

G

H

R

E

Q

H

P

P

M

M

G

Q

R

R

I

I

G

G

K

K

A

P

E

Q

E

E

V

V

A

A

A

S

L

A

A

V

L

A

Y

F

L

L

A

A

S

S

D

R

E

E

S

A

N

S

F

F

T

I

T

T

G

G

S

T

I

C

H

L

M

Y

I

V

D

D

G

G

W

L

S

S

active site: G18 (= G21), S132 (= S137), Y145 (= Y151), S148 (= S154), K149 (= K155)
binding beta-D-mannopyranose: V133 (≠ A138), Q134 (≠ A139), Y145 (= Y151), A175 (≠ G182), T176 (= T183)

2dteA Structure of thermoplasma acidophilum aldohexose dehydrogenase (aldt) in complex with nadh (see paper)
36% identity, 97% coverage: 8:253/254 of query aligns to 5:246/255 of 2dteA

query
sites
2dteA

L

L

A

R

G

D

K

K

T

V

V

V

L

I

I

V

T

T

A
x
G

A

A

A
x
S

Q
x
M

G
|
G

I
|
I

G

G

R

R

A

A

S

I

T

A

E

E

L

R

F

F

A

V

R

D

E

E

G

G

A

S

R

K

V

V

I

I

A

D

T

L

D
x
S

I
|
I

S

H

K

D

P

P

H

-

L

-

D

-

E

-

L

-

A

-

G

G

I

E

A

A

G

K

V

Y

E

D

T

H

H

I

L

E

L
x
C

D
|
D

V
|
V

T

T

D

N

D

P

A

D

A

Q

I

V

K

K

A

A

L

S

V

I

A

D

K

H

I

I

-

F

-

K

-

E

-

Y

G

G

T

S

I

I

D

S

V

V

L

L

F

V

N

N

C
x
N

A
|
A

G

G

Y

I

V

E

A

S

A

Y

G

G

N

K

I

I

L

E

E

S

C

M

D

S

D

M

K

G

A

E

W

W

D

R

F

R

S

I

F

I

N

D

L

V

N

N

A

L

K

F

A

G

M

Y

F

Y

H

Y

T

A

I

S

R

K

A

F

V

A

L

I

P

P

G

Y

M

M

L

I

A

R

K

S

K

R

A

D

G

P

S

S

I

I

V

V

N

N

I
|
I

A

S

S
|
S

A

V

A

Q

S

A

S

S

V

I

K

I

G

-

V

T

A

K

N

N

R

A

F

S

A

A

Y
|
Y

G

V

A

T

S
|
S

K
|
K

A

H

A

A

V

V

V

I

G

G

L

L

T

T

K

K

S

S

V

I

A

A

A

L

D

D

F

Y

V

-

A

A

Q

P

G

L

I

L

R

R

C

C

N

N

A

A

I

V

C

C

P
|
P

G
x
A

T
|
T

I
|
I

E

D

S
x
T

P
|
P

S
x
L

L
x
V

N

R

Q

K

R

A

I

A

S

E

T

L

Q

E

A

V

K

G

E

S

T

D

G

P

K

M

S

R

E

I

E

E

E

K

V

K

R

I

A

S

A

E

F

W

V

G

G

H

R

E

Q

H

P

P

M

M

G

Q

R

R

I

I

G

G

K

K

A

P

E

Q

E

E

V

V

A

A

A

S

L

A

A

V

L

A

Y

F

L

L

A

A

S

S

D

R

E

E

S

A

N

S

F

F

T

I

T

T

G

G

S

T

I

C

H

L

M

Y

I

V

D

D

G

G

W

L

S

S

active site: G18 (= G21), S132 (= S137), Y145 (= Y151), S148 (= S154), K149 (= K155)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (≠ A17), S16 (≠ A19), M17 (≠ Q20), G18 (= G21), I19 (= I22), S38 (≠ D41), I39 (= I42), C52 (≠ L61), D53 (= D62), V54 (= V63), N80 (≠ C85), A81 (= A86), I130 (= I135), S132 (= S137), Y145 (= Y151), K149 (= K155), P174 (= P181), A175 (≠ G182), T176 (= T183), I177 (= I184), T179 (≠ S186), P180 (= P187), L181 (≠ S188), V182 (≠ L189)

2cfcA Structural basis for stereo selectivity in the (r)- and (s)-hydroxypropylethane thiosulfonate dehydrogenases (see paper)
37% identity, 96% coverage: 11:253/254 of query aligns to 3:248/250 of 2cfcA

query
sites
2cfcA

K

R

T

V

V

A

L

I

I

V

T

T

A
x
G

A

A

A

S

Q
x
S

G
|
G

I
x
N

G

G

R

L

A

A

S

I

T

A

E

T

L

R

F

F

A

L

R

A

E

R

G

G

A

D

R

R

V

V

I

A

A

A

T

L

D
|
D

I
x
L

S

S

K

A

P

E

H

T

L

L

D

E

E

E

L

T

A

A

G

-

I

-

A

-

G

-

V

-

E

R

T

T

H

H

L

W

-

H

-

A

-

Y

-

A

-

D

-

K

-

V

-

L

-

R

-

V

-

R

L
x
A

D
|
D

V
|
V

T

A

D

D

D

E

-

G

-

D

-

V

-

N

A

A

I

I

K

A

A

A

L

T

V

M

A

E

K

Q

I

F

G

G

T

A

I

I

D

D

V

V

L

L

F

V

N

N

C
x
N

A
|
A

G
|
G

Y

I

V

T

A

G

-

N

-

S

-

E

A

A

G

G

N

V

I

L

L

H

E

T

C

T

D

P

D

V

K

E

A

Q

W

F

D

D

F

K

S

V

F

M

N

A

L

V

N

N

A

V

K

R

A

G

M

I

F

F

H

L

T

G

I

C

R

R

A

A

V

V

L

L

P

P

G

H

M

M

L

L

A

L

K

Q

K

G

A

A

G

G

S

V

I

I

V

V

N

N

I
|
I

A

A

S
|
S

A

V

A

A

S

S

S

L

V

V

K

-

G

A

V
x
F

A

P

N

G

R
|
R

F

S

A

A

Y
|
Y

G

T

A

T

S

S

K
|
K

A

G

A

A

V

V

V

L

G

Q

L

L

T

T

K

K

S

S

V

V

A

A

A

V

D

D

F

Y

V

A

A

G

Q

S

G

G

I

I

R

R

C

C

N

N

A

A

I

V

C

C

P
|
P

G
|
G

T
x
M

I
|
I

E

E

S
x
T

P
|
P

S
x
M

L
x
T

N

Q

Q
x
W

R
|
R

I

L

S

-

T

-

Q

-

A

-

K

-

E

-

T

-

G

-

K

-

S

D

E

Q

E

P

E

E

V

L

R

R

A

D

A

Q

F

V

V

L

G

A

R

R

Q

I

P

P

M

Q

G

K

R

E

I

I

G

G

K

T

A

A

E

A

E

Q

V

V

A

A

A

D

L

A

A

V

L

M

Y

F

L

L

A

A

S

G

D

E

E

D

S

A

N

T

F

Y

T

V

T

N

G

G

S

A

I

A

H

L

M

V

I

M

D

D

G

G

G

A

W

Y

S

T

active site: G13 (= G21), S142 (= S137), Y155 (= Y151), K159 (= K155)
binding (2-[2-ketopropylthio]ethanesulfonate: F149 (≠ V145), R152 (= R148), Y155 (= Y151), W195 (≠ Q191), R196 (= R192)
binding nicotinamide-adenine-dinucleotide: G9 (≠ A17), S12 (≠ Q20), G13 (= G21), N14 (≠ I22), D33 (= D41), L34 (≠ I42), A59 (≠ L61), D60 (= D62), V61 (= V63), N87 (≠ C85), A88 (= A86), G89 (= G87), I140 (= I135), P185 (= P181), G186 (= G182), M187 (≠ T183), I188 (= I184), T190 (≠ S186), P191 (= P187), M192 (≠ S188), T193 (≠ L189)

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)
37% identity, 96% coverage: 11:253/254 of query aligns to 3:248/250 of Q56840

query
sites
Q56840

K

R

T

V

V

A

L

I

I

V

T

T

A

G

A

A

A

S

Q
x
S

G
|
G

I
x
N

G

G

R

L

A

A

S

I

T

A

E

T

L

R

F

F

A

L

R

A

E

R

G

G

A

D

R

R

V

V

I

A

A

A

T

L

D
|
D

I

L

S

S

K

A

P

E

H

T

L

L

D

E

E

E

L

T

A

A

G

-

I

-

A

-

G

-

V

-

E

R

T

T

H

H

L

W

-

H

-

A

-

Y

-

A

-

D

-

K

-

V

-

L

-

R

-

V

-

R

L

A

D
|
D

V
|
V

T

A

D

D

D

E

-

G

-

D

-

V

-

N

A

A

I

I

K

A

A

A

L

T

V

M

A

E

K

Q

I

F

G

G

T

A

I

I

D

D

V

V

L

L

F

V

N

N

C
x
N

A

A

G

G

Y

I

V

T

A

G

-

N

-

S

-

E

A

A

G

G

N

V

I

L

L

H

E

T

C

T

D

P

D

V

K

E

A

Q

W

F

D

D

F

K

S

V

F

M

N

A

L

V

N

N

A

V

K

R

A

G

M

I

F

F

H

L

T

G

I

C

R

R

A

A

V

V

L

L

P

P

G

H

M

M

L

L

A

L

K

Q

K

G

A

A

G

G

S

V

I

I

V

V

N

N

I

I

A

A

S
|
S

A

V

A

A

S

S

S

L

V

V

K

-

G

A

V

F

A

P

N

G

R
|
R

F

S

A

A

Y
|
Y

G

T

A

T

S

S

K
|
K

A

G

A

A

V

V

V

L

G

Q

L

L

T

T

K

K

S

S

V

V

A

A

A

V

D

D

F

Y

V

A

A

G

Q

S

G

G

I

I

R
|
R

C

C

N

N

A

A

I

V

C

C

P

P

G

G

T

M

I
|
I

E
|
E

S
x
T

P
|
P

S
x
M

L

T

N

Q

Q
x
W

R
|
R

I

L

S

-

T

-

Q

-

A

-

K

-

E

-

T

-

G

-

K

-

S

D

E

Q

E

P

E

E

V

L

R
|
R

A

D

A

Q

F

V

V

L

G

A

R
|
R

Q

I

P

P

M

Q

G

K

R

E

I

I

G

G

K

T

A

A

E

A

E

Q

V

V

A

A

A

D

L

A

A

V

L

M

Y

F

L

L

A

A

S

G

D

E

E

D

S

A

N

T

F

Y

T

V

T

N

G

G

S

A

I

A

H

L

M

V

I

M

D

D

G

G

G

A

W

Y

S

T

SGN 12:14 (≠ QGI 20:22) binding
D33 (= D41) binding
DV 60:61 (= DV 62:63) binding
N87 (≠ C85) binding
S142 (= S137) mutation to A: Retains weak activity. 120-fold decrease in kcat.; mutation to C: Loss of activity.
R152 (= R148) 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 (≠ IESPS 184:188) binding
WR 195:196 (≠ QR 191:192) binding
R196 (= R192) mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
R203 (= R208) mutation to A: Slight decrease in catalytic efficiency.
R209 (= R214) mutation to A: Does not affect catalytic efficiency.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
37% identity, 97% coverage: 7:253/254 of query aligns to 4:253/255 of 5itvA

query
sites
5itvA

R

N

L

L

A

T

G

D

K

K

T

T

V

V

L

L

I

I

T

T

A
x
G

A

G

A

A

Q
x
S

G
|
G

I
|
I

G

G

R

Y

A

A

S

A

T

V

E

Q

L

A

F

F

A

L

R

G

E

Q

G

Q

A

A

R

N

V

V

I

V

A

V

T

A

D
|
D

I
|
I

S

-

K

-

P

-

H

-

L

-

D

D

E

E

L

A

A

Q

G

G

I

E

A

A

G

M

V

V

E

R

T

K

-

E

-

N

-

D

-

R

-

L

H

H

L

F

L

V

-

Q

-
x
T

D

D

V
x
I

T

T

D

D

D

E

A

A

-

C

-

Q

-

H

-

A

I

V

K

E

A

S

L

A

V

V

A

H

K

T

I

F

G

G

T

G

I

L

D

D

V

V

L

L

F

I

N

N

C
x
N

A

A

G
|
G

Y

I

V

E

A

I

A

V

G

A

N

P

I

I

L

H

E

E

C

M

D

E

D

L

K

S

A

D

W

W

D

N

F

K

S

V

F

L

N

Q

L

V

N

N

A

L

K

T

A

G

M

M

F

F

H

L

T

M

I

S

R

K

A

H

V

A

L

L

P

K

G

H

M

M

L

L

A

A

K

A

K

G

A

K

G

G

S

N

I

I

V

I

N

N

I
x
T

A

C

S
|
S

A

V

A

G

S

G

S

L

V

V

K

-

G

A

V

W

A

P

N

D

R

I

F

P

A

A

Y
|
Y

G

N

A

A

S

S

K
|
K

A

G

V

V

V

L

G

Q

L

L

T

T

K

K

S

S

V

M

A

A

A

V

D

D

F

Y

V

A

A

K

Q

H

G

Q

I

I

R

R

C

V

N

N

A

C

I

V

C

C

P
|
P

G
|
G

T
x
I

I
|
I

E

D

S

T

P

P

S

-

L

L

N

N

Q

E

R

K

I

S

S

F

T

L

Q

E

A

N

K

N

E

E

T

-

G

-

K

G

S

T

E

L

E

E

V

I

R

K

A

K

A

E

F

K

V

A

G

K

R

V

Q

N

P

P

M

L

G

L

R

R

I

L

G

G

K

K

A

P

E

E

V

I

A

A

A

N

L

V

A

M

L

L

Y

F

L

L

A

A

S

S

D

D

E

L

S

S

N

S

F

Y

T

M

T

T

G

G

S

S

I

A

H

I

M

T

I

A

D

D

G

G

W

Y

S

T

active site: G18 (= G21), S141 (= S137), Y154 (= Y151), K158 (= K155)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (≠ A17), S17 (≠ Q20), G18 (= G21), I19 (= I22), D38 (= D41), I39 (= I42), T61 (vs. gap), I63 (≠ V63), N89 (≠ C85), G91 (= G87), T139 (≠ I135), S141 (= S137), Y154 (= Y151), K158 (= K155), P184 (= P181), G185 (= G182), I186 (≠ T183), I187 (= I184)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
34% identity, 98% coverage: 6:253/254 of query aligns to 1:246/248 of 6ixmC

query
sites
6ixmC

G

G

R

I

L

L

A

D

G

N

K

K

T

V

V

A

L

L

I

V

T

T

A
x
G

A

A

A

G

Q
x
S

G
|
G

I
|
I

G

G

R

L

A

A

S

V

T

A

E

H

L

S

F

Y

A

A

R

K

E

E

G

G

A

A

R

K

V

V

I

I

A

V

T

S

D
|
D

I
|
I

S

N

K

E

P

D

H

H

-

G

-

N

-

K

-

A

L

V

D

E

E

D

L

I

A

K

G

A

I

Q

A

G

G

G

V

E

E

A

T

S

H

F

L

V

-

K

L
x
A

D
|
D

V
x
T

T

S

D

N

D

P

A

E

I

V

K

E

A

A

L

L

V

V

A

K

K

R

-

T

-

V

-

E

-

I

I

Y

G

G

T

R

I

L

D

D

V

I

L

A

F

C

N

N

C
x
N

A
|
A

G

G

Y

-

V

I

A

G

G

E

N

Q

I

A

L

L

E

A

C

G

D

D

D

Y

-

G

-

L

K

D

A

S

W

W

D

R

F

K

S

V

F

L

N

S

L

I

N

N

A

L

K

D

A

G

M

V

F

F

H

Y

T

G

I

C

R

K

A

Y

V

E

L

L

P

E

G

Q

M

M

L

E

A

K

K

N

K

G

A

G

G

G

S

V

I

I

V

V

N

N

I
x
M

A

A

S
|
S

A

I

A

H

S

G

S

I

V

V

K

A

G

A

V

P

A

L

N

S

R

S

F

-

A

A

Y
|
Y

G

T

A

S

S

A

K
|
K

A

H

A

A

V

V

G

G

L

L

T

T

K

K

S

N

V

I

A

G

A

A

D

E

F

Y

V

G

A

Q

Q

K

G

N

I

I

R

R

C

C

N

N

A

A

I

V

C

G

P
|
P

G
x
A

T
x
Y

I
|
I

E

E

S

T

P

P

S
x
L

L

L

N

E

Q

S

R

L

I

T

S

-

T

-

Q

-

A

-

K

-

E

-

T

-

G

-

K

-

S

-

E

-

E

K

E

E

V

M

R

K

A

E

A

A

F

L

V

I

G

S

R

K

Q

H

P

P

M

M

G

G

R

R

I

L

G

G

K

K

A

P

E

E

V

V

A

A

A

E

L

L

A

V

L

L

Y

F

L

L

A

S

S

S

D

E

E

K

S

S

N

S

F

F

T

M

T

T

G

G

S

G

I

Y

H

Y

M

L

I

V

D

D

G

G

W

Y

S

T

active site: G16 (= G21), S142 (= S137), Y155 (= Y151), K159 (= K155)
binding nicotinamide-adenine-dinucleotide: G12 (≠ A17), S15 (≠ Q20), G16 (= G21), I17 (= I22), D36 (= D41), I37 (= I42), A61 (≠ L61), D62 (= D62), T63 (≠ V63), N89 (≠ C85), A90 (= A86), M140 (≠ I135), S142 (= S137), Y155 (= Y151), K159 (= K155), P185 (= P181), A186 (≠ G182), Y187 (≠ T183), I188 (= I184), L192 (≠ S188)

2q2qD Structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas putida (see paper)
35% identity, 96% coverage: 8:252/254 of query aligns to 2:252/255 of 2q2qD

query
sites
2q2qD

L

L

A

K

G

G

K

K

T

T

V

A

L

L

I

V

T

T

A
x
G

A

S

A
x
T

Q
x
S

G
|
G

I
|
I

G

G

R

L

A

G

S

I

T

A

E

Q

L

V

F

L

A

A

R

R

E

A

G

G

A

A

R

N

V

I

I

V

A

L

T

N

D

G

I
x
F

S

G

K

D

P

P

H

A

-

P

-

A

L

L

D

A

E

E

L

I

A

A

-

R

-

H

G

G

I

V

A

K

G

A

V

V

E

H

T

-

H

H

L

P

L

A

D
|
D

V
x
L

T

S

D

D

D

V

A

A

A

Q

I

I

K

E

A

A

L

L

V

F

A

A

-

L

-

A

-

E

-

R

K

E

I

F

G

G

T

G

I

V

D

D

V

I

L

L

F

V

N

N

C
x
N

A

A

G
|
G

Y

I

V

Q

A

H

A

V

G

A

N

P

I

V

L

E

E

Q

C

F

D

P

D

L

K

E

A

S

W

W

D

D

F

K

S

I

F

I

N

A

L
|
L

N

N

A

L

K

S

A

A

M

V

F

F

H

H

T

G

I

T

R

R

A

L

V

A

L

L

P

P

G

G

M

M

L

R

A

A

K

R

K

N

A

W

G

G

S

R

I

I

V

I

N

N

I
|
I

A

A

S
|
S

A

V

A

H

S

G

S

L

V

V

K

-

G

G

V

S

A

T

N

G

R

K

F

A

A

A

Y
|
Y

G

V

A

A

S

A

K
|
K

A

H

A

G

V

V

G

G

L

L

T

T

K

K

S

V

V

V

A

G

A

L

D

E

F

T

V

A

A

T

Q

S

G

N

I

V

R

T

C

C

N

N

A

A

I

I

C

C

P
|
P

G
|
G

T
x
W

I
x
V

E

L

S
x
T

P

P

S
x
L

L
x
V

N

Q

Q

K

R

Q

I

I

S

D

T

D

Q
x
R

A

A

K

A

E

N

T

G

G

G

K

D

S

P

E

L

E

Q

E

A

V

Q

R

H

A

D

A

L

F

L

V

A

G

E

R

K

Q

Q

P

P

M

S

G

L

R

A

I

F

G

V

K

T

A

P

E

E

E

H

V

L

A

G

A

E

L

L

A

V

L

L

Y

F

L

L

A

C

S

S

D

E

E

A

S

G

N

S

F

Q

T

V

T

R

G

G

S

A

I

A

H

W

M

N

I

V

D

D

G

G

W

W

active site: G15 (= G21), S138 (= S137), Y151 (= Y151), K155 (= K155), R196 (≠ Q196)
binding nicotinamide-adenine-dinucleotide: G11 (≠ A17), T13 (≠ A19), S14 (≠ Q20), G15 (= G21), I16 (= I22), F36 (≠ I42), D59 (= D62), L60 (≠ V63), N86 (≠ C85), G88 (= G87), L109 (= L108), I136 (= I135), S138 (= S137), Y151 (= Y151), K155 (= K155), P181 (= P181), G182 (= G182), W183 (≠ T183), V184 (≠ I184), T186 (≠ S186), L188 (≠ S188), V189 (≠ L189)

5jc8D Crystal structure of a putative short-chain dehydrogenase/reductase from burkholderia xenovorans
36% identity, 98% coverage: 6:253/254 of query aligns to 2:258/262 of 5jc8D

query
sites
5jc8D

G

G

R

R

L

L

A

Q

G

G

K

K

T

V

V

A

L

L

I

V

T

T

A

G

A

A

A

G

-

C

-

I

-

G

-

P

-

G

Q

W

G
|
G

I

N

G

G

R

R

A

A

S

I

T

A

E

V

L

R

F

F

A

A

R

E

E

E

G

G

A

A

R

H

V

V

I

I

A

A

T

V

D

D

I

R

S

D

K

L

P

A

H

S

L

M

D

D

-

A

-

T

-

L

E

E

L

L

A

V

G

R

I

A

A

A

G

G

-

G

-

S

V

V

E

T

T

P

H

C

L

L

L

C

D

D

V

V

T

T

D

D

D

S

A

A

A

S

I

V

K

E

A

R

L

L

V

V

A

A

-

D

-

S

-

V

-

A

K

R

I

C

G

G

T

R

I

V

D

D

V

I

L

L

F

V

N

N

C

N

A

V

G

G

Y

A

V

P

A

S

A

P

G

G

N

G

I

P

L

V

E

A

C

L

D

D

D

E

K

A

A

Q

W

W

D

A

F

M

S

Q

F

L

N

E

L

L

N

N

A

L

K

T

A

T

M

A

F

F

H

L

T

M

I

C

R

K

A

Y

V

V

L

L

P

P

G

V

M

M

L

E

A

Q

K

Q

K

G

A

G

G

G

S

A

I

I

V

V

N

N

I

I

A

A

S
|
S

A

T

A

S

S

G

S

I

V

R

K

W

G

T

V

G

A

A

N

A

R

Q

F

V

A

G

Y
|
Y

G

A

A

A

S

A

K
|
K

A

A

A

G

V

M

V

I

G

Q

L

M

T

G

K

R

S

V

V

V

A

A

A

V

D

E

F

Y

V

A

A

A

Q

K

G

N

I

V

R

R

C

V

N

N

A

S

I

V

C

V

P

P

G

G

T

L

I

L

E

H

S

T

P
|
P

S
x
M

L

V

N

D

Q

T

R

K

I

I

S

A

T

-

Q

-

A

-

K

-

E

H

T

N

G

G

K

D

S

V

E

E

E

L

V

L

R

R

A

K

A

R

F

Q

V

-

G

A

R

R

Q

I

P

P

M

M

G

P

R

F

I

M

G

G

K

D

A

G

E

R

E

D

V

T

A

A

A

N

L

A

A

A

L

L

Y

F

L

L

A

A

S

S

D

D

E

E

S

A

N

R

F

F

T

V

T

T

G

G

S

T

I

E

H

I

M

V

I

V

D

D

G

G

W

M

S

S

active site: G22 (= G21), S147 (= S137), Y161 (= Y151), K165 (= K155)
binding magnesium ion: P197 (= P187), M198 (≠ S188)

4bmsF Short chain alcohol dehydrogenase from ralstonia sp. Dsm 6428 in complex with NADPH
32% identity, 98% coverage: 7:254/254 of query aligns to 3:248/249 of 4bmsF

query
sites
4bmsF

R

R

L

L

A

L

G

N

K

K

T

T

V

A

L

V

I

I

T

T

A
x
G

A

G

A
x
N

Q
x
S

G

G

I
|
I

G

G

R

L

A

A

S

T

T

A

E

K

L

R

F

F

A

V

R

A

E

E

G

G

A

A

R

Y

V

V

I

F

A

I

T

V

D

G

I
x
R

S
x
R

K

R

P

K

H

E

L

L

D

E

E

Q

L

A

A

A

-

A

-

E

-

I

-

G

-

R

G

N

I

V

A

T

G

A

V

V

E

K

T
x
A

H
x
D

L
x
V

L

T

D

K

V

L

T

E

D

D

D

L

A

D

A

R

I

L

K

Y

A

A

L

I

V

V

-

R

A

E

K

Q

I

R

G

G

T

S

I

I

D

D

V

V

L

L

F

F

N

A

C
x
N

A
x
S

G
|
G

Y

A

V

I

A

E

A

Q

G

K

N

T

I

L

L

E

E

E

C

I

D

T

D

P

K

E

A

H

W

Y

D

D

F

R

S

T

F

F

N

D

L
x
V

N

N

A

V

K

R

A

G

M

L

F

I

H

F

T

T

I

V

R

Q

A

K

V

A

L

L

P

P

G

-

M

-

L

L

A

L

K

R

K

D

A

G

G

G

S

S

I

V

V

I

N

-

I

L

A

T

S

S

A
x
S

A

V

S

A

S

G

V

V

K

L

G

G

V

L

A

Q

N

A

R
x
H

F

D

A

T

Y
|
Y

G

S

A

A

S

A

K
|
K

A

A

V

V

V

R

G

S

L

L

T

A

K

R

S

T

V

W

A

T

D

E

F

L

V

K

A

G

Q

R

G

S

I

I

R

R

C

V

N

N

A

A

I

V

C

S

P

P

G
|
G

T

A

I
|
I

E

D

S
x
T

P

P

S
x
I

L

I

N

E

Q

N

R

Q

I

V

S

S

T

T

Q
|
Q

A

-

K

-

E

-

T

-

G

-

K

E

S

E

E

A

E

D

E

E

V

L

R

R

A

A

A

K

F

F

V

A

G

A

R

A

Q

T

P

P

M

L

G

G

R

R

I

V

G

G

K

R

A

P

E

E

V

L

A

A

L

A

A

V

L

L

Y

F

L

L

A

A

S

S

D

D

E

D

S

S

N

S

F

Y

T

V

T

A

G

G

S

I

I

E

H

L

M

F

I

V

D

D

G

G

W

L

S

T

N

Q

active site: S137 (≠ A138), H147 (≠ R148), Y150 (= Y151), K154 (= K155), Q195 (= Q196)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (≠ A17), N15 (≠ A19), S16 (≠ Q20), I18 (= I22), R38 (≠ I42), R39 (≠ S43), A59 (≠ T58), D60 (≠ H59), V61 (≠ L60), N87 (≠ C85), S88 (≠ A86), G89 (= G87), V110 (≠ L108), S137 (≠ A138), Y150 (= Y151), K154 (= K155), G181 (= G182), I183 (= I184), T185 (≠ S186), I187 (≠ S188)

6ihhA Crystal structure of rasadh f12 from ralstonia.Sp in complex with NADPH and a6o
33% identity, 98% coverage: 7:254/254 of query aligns to 3:248/249 of 6ihhA

query
sites
6ihhA

R

R

L

L

A

L

G

N

K

K

T

T

V

A

L

V

I

I

T

T

A
x
G

A

G

A
x
N

Q
x
S

G
|
G

I
|
I

G

G

R

L

A

A

S

T

T

A

E

K

L

R

F

F

A

V

R

A

E

E

G

G

A

A

R

Y

V

V

I

F

A

I

T

V

D

G

I
x
R

S
x
R

K

R

P

K

H

E

L

L

D

E

E

Q

L

A

A

A

-

A

-

E

-

I

-

G

-

R

G

N

I

V

A

T

G

A

V

V

E

K

T

A

H
x
D

L
x
V

L

T

D

K

V

L

T

E

D

D

D

L

A

D

A

R

I

L

K

Y

A

A

L

I

V

V

-

R

A

E

K

Q

I

R

G

G

T

S

I

I

D

D

V

V

L

L

F

F

N

A

C
x
N

A
x
S

G
|
G

Y

A

V

V

A

E

A

Q

G

K

N

T

I

L

L

E

E

E

C

I

D

T

D

P

K

E

A

H

W

Y

D

D

F

R

S

T

F

F

N

D

L
x
V

N

N

A

V

K

R

A

G

M

L

F

I

H

F

T

T

I

V

R

Q

A

K

V

A

L

L

P

P

G

-

M

-

L

L

A

L

K

R

K

D

A

G

G

G

S

S

I

V

V

I

N

-

I

L

A
x
T

S

S

A
x
S

A

V

S

A

S

G

V

V

K

L

G

G

V

L

A

Q

N

A

R
x
H

F

D

A

T

Y
|
Y

G

S

A

A

S

A

K
|
K

A

A

V

V

V

R

G

S

L

L

T

A

K

R

S

T

V

W

A

T

D

E

F

L

V

K

A

G

Q

R

G

S

I

I

R

R

C

V

N

N

A

A

I

V

C

S

P
|
P

G
|
G

T
x
A

I
|
I

E

D

S
x
T

P

P

S
|
S

L
|
L

N

E

Q

N

R

N

I

V

S

S

T

T

Q

Q

A

-

K

-

E

-

T

-

G

-

K

E

S

E

E

A

E

D

E

E

V

L

R

R

A

A

A

K

F

A

V

A

G

A

R

A

Q

T

P

P

M

L

G

G

R

R

I

V

G

G

K

R

A

P

E

E

V

L

A

A

L

A

A

V

L

L

Y

F

L

L

A

A

S

S

D

D

E

D

S

S

N

S

F

Y

T

V

T

A

G

G

S

I

I

E

H

L

M

F

I

V

D

D

G

G

W
x
L

S

T

N

Q

binding (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one: S137 (≠ A138), H147 (≠ R148), Y150 (= Y151), L188 (= L189), L246 (≠ W252)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (≠ A17), N15 (≠ A19), S16 (≠ Q20), G17 (= G21), I18 (= I22), R38 (≠ I42), R39 (≠ S43), D60 (≠ H59), V61 (≠ L60), N87 (≠ C85), S88 (≠ A86), G89 (= G87), V110 (≠ L108), T135 (≠ A136), S137 (≠ A138), Y150 (= Y151), K154 (= K155), P180 (= P181), G181 (= G182), A182 (≠ T183), I183 (= I184), T185 (≠ S186), S187 (= S188)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
33% identity, 98% coverage: 5:254/254 of query aligns to 5:252/258 of 4wecA

query
sites
4wecA

T

T

G

Q

R

R

L

L

A

A

G

G

K

K

T

V

V

A

L

V

I

I

T

T

A
x
G

A

G

A
|
A

Q
x
S

G
|
G

I
|
I

G

G

R

L

A

A

S

T

T

G

E

R

L

R

F

L

A

R

R

A

E

E

G

G

A

A

R

T

V

V

I

V

A

V

T

G

D
|
D

I
|
I

S

D

-

P

-

T

-

G

K

K

P

A

H

A

L

A

D

D

E

E

L

L

A

E

G

G

I

L

A

-

G

-

V

-

E

-

T

F

H

V

L

P

L
x
V

D
|
D

V
|
V

T

S

D

E

D

Q

A

E

A

A

I

V

K

D

A

N

L

L

V

F

-

D

-

T

-

A

A

S

K

T

I

F

G

G

T

R

I

V

D

D

V

I

L

A

F

F

N

N

C
x
N

A

A

G

G

Y

I

V

S

A

P

G

E

N

D

-

D

-

L

I

I

L

E

E

N

C

T

D

D

D

L

K

P

A

A

W

W

D

Q

F

R

S

V

F

Q

N

D

L

I

N

N

A

L

K

K

A

S

M

V

F

Y

H

L

T

S

I

C

R

R

A

A

V

A

L

L

P

R

G

H

M

M

L

V

A

P

K

A

K

G

A

K

G

G

S

S

I

I

V

I

N

N

I
x
T

A

A

S
|
S

A

F

A

V

S

A

S

V

V

M

K

G

G

S

V

A

A

T

N

S

R
x
Q

F

I

A

S

Y
|
Y

G

T

A

A

S

S

K
|
K

A

G

V

V

V

L

G

A

L

M

T

S

K

R

S

E

V

L

A

G

A

V

D

Q

F

Y

V

A

A

R

Q

Q

G

G

I

I

R

R

C

V

N

N

A

A

I

L

C

C

P
|
P

G

G

T
x
P

I
x
V

E

N

S

T

P

P

S

L

L

L

N

Q

Q

E

R

L

I

F

S

A

T

K

Q

D

A

P

K

E

E

R

T

A

G

A

K

R

S

R

E

L

E

V

E

H

V

I

R

-

A

-

F

-

V

-

G

-

R

-

Q

-

P

P

M

L

G

G

R

R

I

F

G

A

K

E

A

P

E

E

V

L

A

A

L

A

A

V

L

A

Y

F

L

L

A

A

S

S

D

D

E

D

S

A

N

S

F

F

T

I

T

T

G

G

S

S

I

T

H

F

M

L

I

V

D

D

G

G

W

I

S

S

N

S

active site: G21 (= G21), S143 (= S137), Q154 (≠ R148), Y157 (= Y151), K161 (= K155)
binding nicotinamide-adenine-dinucleotide: G17 (≠ A17), A19 (= A19), S20 (≠ Q20), G21 (= G21), I22 (= I22), D41 (= D41), I42 (= I42), V61 (≠ L61), D62 (= D62), V63 (= V63), N89 (≠ C85), T141 (≠ I135), Y157 (= Y151), K161 (= K155), P187 (= P181), P189 (≠ T183), V190 (≠ I184)

Q9LBG2 Levodione reductase; (6R)-2,2,6-trimethyl-1,4-cyclohexanedione reductase; EC 1.1.1.- from Leifsonia aquatica (Corynebacterium aquaticum) (see paper)
34% identity, 99% coverage: 2:253/254 of query aligns to 5:264/267 of Q9LBG2

query
sites
Q9LBG2

S

S

A

S

S

P

T

T

G

T

R

R

L

F

A

T

G

D

K

R

T

V

V

V

L
|
L

I
|
I

T
|
T

A
x
G

Q
x
S

G
|
G

I
x
L

G
|
G

R
|
R

A
|
A

S
x
T

T
x
A

E
x
V

L
x
R

F
x
L

A
|
A

R
x
A

E
|
E

G
|
G

A
|
A

R
x
K

V
x
L

I
x
S

A
x
L

T

V

D

D

I

V

S

S

K

S

P

E

H

G

L

L

D

E

-

A

-

S

-

K

-

A

-

V

-

L

E

E

L

T

A

A

G

P

I

D

A

A

G

E

V

V

E

L

T

T

H

T

L

V

L

A

D

D

V

V

T

S

D

D

D

E

A

A

A

Q

I

V

K

E

A

A

L

Y

V

V

A

T

-

A

-

T

-

E

K

R

I

F

G

G

T

R

I

I

D

D

V

G

L

F

F

F

N

N

C

N

A

A

G

G

Y

I

V
x
E

A

G

A

K

G

Q

N

N

I

P

L

T

E

E

C

S

D

F

D

T

K

A

A

A

-

E

W

F

D

D

F

K

S

V

F

V

N

S

L

I

N

N

A

L

K

R

A

G

M

V

F

F

H

L

T

G

I

L

R

E

A

K

V

V

L

L

P

K

G

I

M

M

L

R

A

E

K

Q

K

G

A

S

G

G

S

M

I

V

V

V

N

N

I

T

A

A

S

S

A

V

A

G

S

G

S

-

V

I

K

R

G

G

V

I

A

G

N

N

R

Q

F

S

A

G

Y

Y

G

A

A

A

S

A

K

K

A

H

A

G

V

V

G

G

L

L

T

T

K

R

S

N

V

S

A

A

A

V

D

E

F

Y

V

G

A

R

Q

Y

G

G

I

I

R

R

C

I

N

N

A

A

I

I

C

A

P

P

G

G

T

A

I

I

E

W

S

T

P

P

S

M

L

V

N

E

Q

N

R

S

I

M

S

K

T

Q

Q

L

A

D

K

P

E

E

T

N

G

P

K

R

S

K

E

A

E

E

V

-

R

-

A

-

A

E

F

F

V

I

G

Q

R

V

Q

N

P

P

M

S

G

K

R

R

I

Y

G

G

K

E

A

A

E

P

E

E

V

I

A

A

L

V

A

V

L

A

Y

F

L

L

A

L

S

S

D

D

E

D

S

A

N

S

F

Y

T

V

T

N

G

A

S

T

I

V

H

V

M

P

I

I

D

D

G

G

W

Q

S

S

17:42 (vs. 14:39, 42% identical) binding
E103 (≠ V89) mutation E->A,D,N,Q: 26-fold increase in Km and a much lower enantiomeric excess of the reaction products.

3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
32% identity, 96% coverage: 8:251/254 of query aligns to 6:243/247 of 3op4A

query
sites
3op4A

L

L

A

E

G

G

K

K

T

V

V

A

L

L

I

V

T

T

A
x
G

A

A

A
x
S

Q
x
R

G

G

I
|
I

G

G

R

K

A

A

S

I

T

A

E

E

L

L

F

L

A

A

R

E

E

R

G

G

A

A

R

K

V

V

I

I

A

G

T

T

D

A

I
x
T

S

S

K

E

P

S

H

G

L

A

D

Q

E

A

L

I

A

S

G

D

I

Y

A

L

G

G

V

D

-

N

-

G

E

K

T

G

H

M

L

A

L

L

D
x
N

V
|
V

T

T

D

N

-

P

-

E

-

S

-

I

D

E

A

A

A

V

I

L

K

K

A

A

L

I

V

T

A

D

K

E

I

F

G

G

T

G

I

V

D

D

V

I

L

L

F

V

N

N

C
x
N

A
|
A

G

G

Y
x
I

V

T

A

R

A

D

G

N

N

L

I

L

L

M

E

R

C

M

D

K

D

E

K

E

A

E

W

W

D

S

F

D

S

I

F

M

N

E

L

T

N

N

A

L

K

T

A

S

M

I

F

F

H

R

T

L

I

S

R

K

A

A

V

V

L

L

P

R

G

G

M

M

L

M

A

K

K

K

K

R

A

Q

G

G

S

R

I

I

V

I

N

N

I
x
V

A

G

S
|
S

A

V

S

G

S

T

V

M

K

-

G

G

V

N

A

A

N

G

R

Q

F

A

A

N

Y
|
Y

G

A

A

A

S

A

K
|
K

A

A

A

G

V

V

V

I

G

G

L

F

T

T

K

K

S

S

V

M

A

A

A

R

D

E

F

V

V

A

A

S

Q

R

G

G

I

V

R

T

C

V

N

N

A

T

I

V

C

A

P
|
P

G
|
G

T

F

I
|
I

E

E

S
x
T

P

D

S
x
M

L

-

N

-

Q

-

R

-

I

-

S

-

T

-

Q

-

A

-

K

-

E

-

T

T

G

K

K

A

S

L

E

N

E

D

E

E

V

Q

R

R

A

T

A

A

F

T

V

L

G

A

R

Q

Q

V

P

P

M

A

G

G

R

R

I

L

G

G

K

D

A

P

E

R

E

E

V

I

A

A

A

S

L

A

A

V

L

A

Y

F

L

L

A

A

S

S

D

P

E

E

S

A

N

A

F

Y

T

I

T

T

G

G

S

E

I

T

H

L

M

H

I

V

D

N

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (≠ A17), S17 (≠ A19), R18 (≠ Q20), I20 (= I22), T40 (≠ I42), N62 (≠ D62), V63 (= V63), N89 (≠ C85), A90 (= A86), I92 (≠ Y88), V139 (≠ I135), S141 (= S137), Y154 (= Y151), K158 (= K155), P184 (= P181), G185 (= G182), I187 (= I184), T189 (≠ S186), M191 (≠ S188)

P0A2C9 3-oxoacyl-[acyl-carrier-protein] reductase FabG; 3-ketoacyl-acyl carrier protein reductase; Beta-Ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; EC 1.1.1.100 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see paper)
32% identity, 95% coverage: 10:251/254 of query aligns to 5:240/244 of P0A2C9

query
sites
P0A2C9

G

G

K

K

T

I

V

A

L

L

I

V

T

T

A

G

A

A

A

S

Q

R

G

G

I

I

G

G

R

R

A

A

S

I

T

A

E

E

L

T

F

L

A

V

R

A

E

R

G

G

A

A

R

K

V

V

I

I

A

G

T

T

D

A

I

T

S

S

K

E

P

N

H

G

L

A

D

K

E

N

L

I

A

S

G

D

I

Y

A

L

G

G

V

A

E

N

T

G

H

K

-

G

-

L

L

M

L

L

D

N

V

V

T

T

D

D

D

P

A

A

A

S

I

I

K

E

A

S

L

V

V

L

-

E

-

N

-

I

-

R

A

A

K

E

I

F

G

G

T

E

I

V

D

D

V

I

L

L

F

V

N

N

C

N

A

A

G

G

Y

I

V

T

A

R

A

D

G

N

N

L

I

L

L

M

E

R

C

M

D

K

D

D

K

D

A

E

W

W

D

N

F

D

S

I

F

I

N

E

L

T

N

N

A

L

K

S

A

S

M

V

F

F

H

R

T

L

I

S

R

K

A

A

V

V

L

M

P

R

G

A

M
|
M

L

M

A

K

K

K

K

R

A

C

G

G

S

R

I

I

V

I

N

T

I

I

A

G

S

S

A

V

S

G

S

T

V

M

K

-

G

G

V

N

A

A

N

G

R

Q

F

A

A

N

Y

Y

G

A

A

A

S

A

K

K

A

A

A

G

V

L

V

I

G

G

L

F

T

S

K

K

S

S

V

L

A

A

A

R

D

E

F

V

V

A

A

S

Q

R

G

G

I

I

R

T

C

V

N

N

A

V

I

V

C

A

P

P

G

G

T

F

I

I

E

E

S

T

P

-

S

D

L

M

N

T

Q

R

R

A

I

L

S

S

T

-

Q

-

A

-

K

-

E

-

T

-

G

-

K

-

S

-

E

-

E

D

V

Q

R

R

A

A

A

G

F

I

V

L

G

A

R

Q

Q

V

P

P

M

A

G

G

R

R

I

L

G

G

K

G

A

A

E

Q

E

E

V

I

A

A

A

S

L

A

A

V

L

A

Y

F

L

L

A
|
A

S
|
S

D

D

E

E

S

A

N

S

F

Y

T

I

T

T

G

G

S

E

I

T

H

L

M

H

I

V

D

N

G

G

M125 (= M124) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (= A234) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (= S235) mutation to F: Distorts the local conformation and prevent stacking around Phe-221. The S224F mutation would additionally disrupt the hydrogen bond formed between Ser-224 and Glu-226.

3toxA Crystal structure of a short chain dehydrogenase in complex with NAD(p) from sinorhizobium meliloti 1021
35% identity, 97% coverage: 7:253/254 of query aligns to 2:251/254 of 3toxA

query
sites
3toxA

R

R

L

L

A

E

G

G

K

K

T

I

V

A

L

I

I

V

T

T

A
x
G

A

A

A
x
S

Q
x
S

G
|
G

I
|
I

G

G

R

R

A

A

S

A

T

A

E

L

L

L

F

F

A

A

R

R

E

E

G

G

A

A

R

K

V

V

I

V

A

V

T

T

D
x
A

I
x
R

S
x
N

K

G

P

N

H

A

L

L

D

A

E

E

L

L

-

T

-

D

-

E

-

I

-

A

A

G

G

G

I

G

A

G

G

E

V

A

E

A

T

A

H

L

L

A

L

G

D

D

V
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V

T

G

D

D

D

E

A

A

A

L

I

H

K

E

A

A

L

L

V

V

A

E

-

L

-

A

-

V

-

R

K

R

I

F

G

G

T

G

I

L

D

D

V

T

L

A

F

F

N

N

C
x
N

A
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A

G
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G

Y

A

V

L

A

G

A

A

-

M

G

G

N

E

I

I

L

S

E

S

C

L

D

S

D

V

K

E

A

G

W

W

D

R

F

E

S

T

F

L

N

D

L

T

N

N

A

L

K

T

A

S

M

A

F

F

H

L

T

A

I

A

R

K

A

Y

V

Q

L

V

P

P

G

A

M

I

L

A

A

A

K

L

K

G

A

G

G

G

S

S

I

L

V

T

N

F

I
x
T

A

S

S
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S

A

F

A

V

S

G

S

H

V

T

K

A

G

G

V

F

A

A

N

G

R
x
V

F

A

A

P

Y
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Y

G

A

A

A

S

S

K
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K

A

A

A

G

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I

G

G

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L

T

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Q

S

A

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A

A

A

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E

F

L

V

G

A

A

Q

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G

G

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I

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N

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P
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P

G

G

T
x
G

I
x
T

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x
T

P

P

S

A

L

N

N

F

Q

A

R

N

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S

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Q

A

A

A

K

P

E

E

T

T

G

-

K

-

S

-

E

-

V

-

R

R

A

G

A

F

F

V

V

E

G

G

R

L

Q

H

P

A

M

L

G

K

R

R

I

I

G

A

K

R

A

P

E

E

V

I

A

A

A

E

L

A

A

A

L

L

Y

Y

L

L

A

A

S

S

D

D

E

G

S

A

N

S

F

F

T

V

T

T

G

G

S

A

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A

H

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L

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A

D

D

G

G

W

A

S

S

active site: G16 (= G21), S142 (= S137), V153 (≠ R148), Y156 (= Y151), K160 (= K155)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (≠ A17), S14 (≠ A19), S15 (≠ Q20), G16 (= G21), I17 (= I22), A36 (≠ D41), R37 (≠ I42), N38 (≠ S43), V63 (= V63), N89 (≠ C85), A90 (= A86), G91 (= G87), T140 (≠ I135), S142 (= S137), Y156 (= Y151), K160 (= K155), P186 (= P181), G188 (≠ T183), T189 (≠ I184), T191 (≠ S186)

P0AEK2 3-oxoacyl-[acyl-carrier-protein] reductase FabG; 3-ketoacyl-acyl carrier protein reductase; Beta-Ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; EC 1.1.1.100 from Escherichia coli (strain K12) (see 2 papers)
32% identity, 95% coverage: 10:251/254 of query aligns to 5:240/244 of P0AEK2

query
sites
P0AEK2

G

G

K

K

T

I

V

A

L

L

I

V

T

T

A
x
G

A
|
A

A
x
S

Q
x
R

G

G

I

I

G

G

R

R

A

A

S

I

T

A

E

E

L

T

F

L

A

A

R

A

E

R

G

G

A

A

R

K

V

V

I

I

A

G

T

T

D

A

I
x
T

S

S

K

E

P

N

H

G

L

A

D

Q

E

A

L

I

A

S

G

D

I

Y

A

L

G

G

V

A

E

N

T

G

H

K

-

G

-

L

L

M

L

L

D
x
N

V
|
V

T

T

D

D

D

P

A

A

A

S

I

I

K

E

A

S

L

V

V

L

A

E

K

K

I

I

-

R

-

A

-

E

-

F

G

G

T

E

I

V

D

D

V

I

L

L

F

V

N

N

C
x
N

A

A

G

G

Y

I

V

T

A

R

A

D

G

N

N

L

I

L

L

M

E

R

C

M

D

K

D

D

K

E

A

E

W

W

D

N

F

D

S

I

F

I

N

E

L

T

N

N

A

L

K

S

A

S

M

V

F

F

H

R

T

L

I

S

R

K

A

A

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V

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R

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A

M

M

L

M

A

K

K

K

K

R

A

H

G

G

S

R

I

I

V

I

N

T

I

I

A

G

S

S

A

V

S

G

S

T

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M

K

-

G

G

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N

A

G

N

G

R

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F

A

A

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Y
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Y

G
x
A

A
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A

S
x
A

K
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K

A

A

A

G

V

L

V

I

G

G

L

F

T

S

K

K

S

S

V

L

A

A

A

R

D

E

F

V

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A

A

S

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R

G

G

I

I

R

T

C

V

N

N

A

V

I

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C

A

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P

G

G

T

F

I
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I

E

E

S

T

P

-

S

D

L

M

N

T

Q

R

R

A

I

L

S

S

T

-

Q

-

A

-

K

-

E

-

T

-

G

-

K

-

S

-

E

-

E

D

V

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R

R

A

A

A

G

F

I

V

L

G

A

R

Q

Q

V

P

P

M

A

G

G

R

R

I

L

G

G

K

G

A

A

E

Q

E

E

V

I

A

A

A

N

L

A

A

V

L

A

Y

F

L

L

A

A

S

S

D

D

E

E

S

A

N

A

F

Y

T

I

T

T

G

G

S
x
E

I

T

H

L

M

H

I

V

D

N

G

G

GASR 12:15 (≠ AAAQ 17:20) binding
T37 (≠ I42) binding
NV 59:60 (≠ DV 62:63) binding
N86 (≠ C85) binding
Y151 (= Y151) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YGASK 151:155) binding
A154 (≠ S154) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K155) mutation to A: Defect in the affinity for NADPH.
I184 (= I184) binding
E233 (≠ S244) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

Query Sequence

>HSERO_RS19365 FitnessBrowser__HerbieS:HSERO_RS19365
MSASTGRLAGKTVLITAAAQGIGRASTELFAREGARVIATDISKPHLDELAGIAGVETHL
LDVTDDAAIKALVAKIGTIDVLFNCAGYVAAGNILECDDKAWDFSFNLNAKAMFHTIRAV
LPGMLAKKAGSIVNIASAASSVKGVANRFAYGASKAAVVGLTKSVAADFVAQGIRCNAIC
PGTIESPSLNQRISTQAKETGKSEEEVRAAFVGRQPMGRIGKAEEVAALALYLASDESNF
TTGSIHMIDGGWSN

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