SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PP_1946 PP_1946 Oxidoreductase, short chain dehydrogenase/reductase family 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)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
46% identity, 91% coverage: 10:248/262 of query aligns to 6:244/248 of 6ixmC

query
sites
6ixmC

K

K

V

V

V

A

L

L

V

V

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T

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G

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D

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C

N

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G

G

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C

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M

L

E

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K

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G

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M

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active site: G16 (= G20), S142 (= S146), Y155 (= Y159), K159 (= K163)
binding nicotinamide-adenine-dinucleotide: G12 (= G16), S15 (= S19), G16 (= G20), I17 (= I21), D36 (= D40), I37 (= I41), A61 (≠ V65), D62 (= D66), T63 (≠ V67), N89 (= N93), A90 (= A94), M140 (≠ T144), S142 (= S146), Y155 (= Y159), K159 (= K163), P185 (= P189), A186 (≠ G190), Y187 (≠ P191), I188 (≠ V192), L192 (≠ F196)

4urfB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
45% identity, 92% coverage: 7:248/262 of query aligns to 3:244/248 of 4urfB

query
sites
4urfB

F

L

S

E

G

G

K

K

V

T

V

A

L

L

V

V

T

T

G
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G

A

A

G
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G

S
x
N

G
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G

I
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I

G

G

R

R

A

T

T

I

A

A

L

L

A

T

F

Y

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A

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G

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P

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I

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E

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D

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G

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Y

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V

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D

G

G

active site: G16 (= G20), S142 (= S146), I152 (≠ L156), Y155 (= Y159), K159 (= K163)
binding 3-pyridinium-1-ylpropane-1-sulfonate: L210 (≠ I214), R211 (≠ G215), R212 (= R216)
binding bicarbonate ion: I92 (= I96), G94 (≠ A98), R109 (= R113), R179 (= R183), S228 (= S232)
binding nicotinamide-adenine-dinucleotide: G12 (= G16), G14 (= G18), N15 (≠ S19), G16 (= G20), I17 (= I21), D36 (= D40), I37 (= I41), D62 (= D66), T63 (≠ V67), N89 (= N93), A90 (= A94), G91 (= G95), I140 (≠ T144), Y155 (= Y159), K159 (= K163), P185 (= P189), A186 (≠ G190), I188 (≠ V192), T190 (≠ S194)

4urfA Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
45% identity, 92% coverage: 7:248/262 of query aligns to 3:244/248 of 4urfA

query
sites
4urfA

F

L

S

E

G

G

K

K

V

T

V

A

L

L

V

V

T

T

G
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G

A

A

G
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G

S
x
N

G
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G

I
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I

G

G

R

R

A

T

T

I

A

A

L

L

A

T

F

Y

A

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G

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D

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G

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G

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N
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I
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E
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A
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G

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P

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S

L

V

V

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A

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W

L

L

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S

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D

D

K

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A

K

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F

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G

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G

active site: G16 (= G20), S142 (= S146), I152 (≠ L156), Y155 (= Y159), K159 (= K163)
binding 3-pyridinium-1-ylpropane-1-sulfonate: I92 (= I96), S93 (≠ E97), G94 (≠ A98), E95 (≠ N99), T97 (≠ V101), E101 (= E105), T103 (≠ D107), Q106 (≠ N110), R109 (= R113), S175 (≠ N179), G177 (≠ N181)
binding magnesium ion: S237 (≠ H241), Y238 (≠ S242)
binding nicotinamide-adenine-dinucleotide: G12 (= G16), G14 (= G18), N15 (≠ S19), G16 (= G20), I17 (= I21), D36 (= D40), I37 (= I41), W41 (≠ H45), D62 (= D66), T63 (≠ V67), N89 (= N93), A90 (= A94), G91 (= G95), I140 (≠ T144), Y155 (= Y159), K159 (= K163), P185 (= P189), I188 (≠ V192), T190 (≠ S194)

4ureB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
45% identity, 92% coverage: 7:248/262 of query aligns to 3:244/248 of 4ureB

query
sites
4ureB

F

L

S

E

G

G

K

K

V

T

V

A

L

L

V

V

T

T

G

G

A

A

G

G

S
x
N

G
|
G

I
|
I

G

G

R

R

A

T

T

I

A

A

L

L

A

T

F

Y

A

A

Q

A

S

E

G

G

A

A

S

N

V

V

A

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V

A

S

D

D

I

I

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D

E

H

W

G

G

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E

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E

A

L

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K

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A

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K

A

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L

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G

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A

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K

A

R

H

A

Y

F

G

G

G

R

L

L

D

D

I

I

A

A

H

C

N

N

N
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N

A

A

G
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G

I

I

E

S

A

G

N

E

I

F

V

T

P

P

L

T

A

A

E

E

L

T

D

T

S

D

D

A

N

Q

W

W

R

Q

R

R

V

V

I

I

D

G

V

I

N

N

L

L

S

S

S

G

V

V

F

F

Y

Y

C

G

L

V

K

R

G

A

E

Q

I

I

P

R

L

A

M

M

L

L

K

E

R

T

G

G

A

A

I

I

V

V

N

N

T

I

A

S

S
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S

A

I

S

A

G

G

L

Q

I

I

G

G

G

I

Y

E

R

G

L
x
I

S

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Y
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Y

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H

G

G

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V

G

G

L

L

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T

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K

A

T

A

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A

A

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Y

Y

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A

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L

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D

N

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M

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Q

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L

L

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Q

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M

T

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P

A

I

L

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R

R

L

L

A

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A

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E

E

I

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A

R

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S

L

V

V

L

A

W

W

L

L

C

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S

S

D

D

D

K

A

A

K

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F

V

V

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T

G

G

H

S

S

Y

M

Y

S

A

V

V

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D

G

G

active site: G16 (= G20), S142 (= S146), I152 (≠ L156), Y155 (= Y159), K159 (= K163)
binding 3-pyridinium-1-ylpropane-1-sulfonate: N15 (≠ S19), G16 (= G20), I17 (= I21), N89 (= N93), G91 (= G95), Y155 (= Y159), P185 (= P189), A186 (≠ G190)

7djsD Crystal structure of isopiperitenol dehydrogenase from pseudomonas aeruginosa complexed with NAD
47% identity, 92% coverage: 7:248/262 of query aligns to 3:247/251 of 7djsD

query
sites
7djsD

F

L

S

S

G

G

K

Q

V

V

V

A

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L

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V

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T

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G

A

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I
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G

G

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A

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A

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A

A

A

H

A

Y

Y

G

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G

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L

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D

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A

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F

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A

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E

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E

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L

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L

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M

L

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G

A

A

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I

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V

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S

A

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A

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G

L

L

I

G

G

A

Y

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A

A

A

T

S

K
|
K

H

H

G

A

V

V

V

I

G

G

L

L

T

T

K

K

A

S

A

A

I

I

D

E

Y

Y

A

A

N

K

Q

K

N

G

I

I

R

R

I

V

N

N

A

A

V

V

C

C

P

P

G
x
A

P
x
V

V

I

D

D

S

T

P

D

F

M

L

F

A

R

D

R

M

A

P

Y

Q

E

P

A

M

D

R

P

D

R

R

K

L

A

L

E

F

F

G

A

T

A

-

A

-

M

-

H

P

P

I

L

G

G

R

R

L

V

A

G

T

R

A

V

E

E

I

I

A

A

R

A

S

A

V

V

L

L

W

Y

L

L

C

C

S

S

D

D

D

N

A

A

K

G

Y

F

V

T

G

G

H

I

S

A

M

L

S

P

V

V

D

D

G

G

binding nicotinamide-adenine-dinucleotide: G12 (= G16), G16 (= G20), I17 (= I21), D36 (= D40), L37 (≠ I41), C61 (≠ V65), D62 (= D66), V63 (= V67), N89 (= N93), A90 (= A94), T140 (= T144), S142 (= S146), Y155 (= Y159), K159 (= K163), A186 (≠ G190), V187 (≠ P191)

4fn4A Short-chain NAD(h)-dependent dehydrogenase/reductase from sulfolobus acidocaldarius (see paper)
39% identity, 94% coverage: 7:251/262 of query aligns to 5:253/254 of 4fn4A

query
sites
4fn4A

F

L

S

K

G

N

K

K

V

V

L

I

V

V

T

T

G
|
G

A

A

G

G

S
|
S

G
|
G

I
|
I

G

G

R

R

A

A

T

I

A

A

L

K

A

K

F

F

A

A

Q

L

S

N

G

D

A

S

S

I

V

V

A

V

V

A

A

V

D
x
E

I
x
L

S

L

T

E

D

D

H
x
R

G

L

L

N

K

Q

T

I

V

V

E

Q

L

E

V

L

K

R

A

G

E

M

G

G

G

K

E

E

A

V

T

L

F

G

F

V

H

K

V
x
A

D
|
D

V
|
V

G

S

S

K

E

K

P

K

S

D

V

V

Q

E

S

E

M

F

L

V

A

R

G

R

V

T

V

F

A

E

H

T

Y

Y

G

S

G

R

L

I

D

D

I

V

A

L

H

C

N

N

N
|
N

A

A

G
|
G

I
|
I

E

M

A

D

N

G

I

V

V

T

P

P

L

V

A

A

E

E

L

V

D

S

S

D

D

E

N

L

W

W

R

E

R

R

V

V

I

L

D

A

V

V

N

N

L

L

S

Y

S

S

V

A

F

F

Y

Y

C

S

L

S

K

R

G

A

E

V

I

I

P

P

L

I

M

M

L

L

K

K

R

Q

G

G

G

K

G

G

A

V

I

I

V

V

N

N

T
|
T

A

A

S
|
S

A

I

S

A

G

G

L

I

I

R

G

G

Y

F

R

A

L

G

S

A

G

P

Y
|
Y

T

T

A

V

T

A

K
|
K

H

H

G

G

V

L

V

I

G

G

L

L

T

T

K

R

A

S

A

I

A

A

I

A

D

H

Y

Y

A

G

N

D

Q

Q

N

G

I

I

R

R

I

A

N

V

A

A

V

V

C

L

P
|
P

G

G

P

T

V
|
V

D

K

S
x
T

P
x
N

F
x
I

L

G

A

L

D

G

M

S

P

S

Q

K

P

P

-
x
S

-

E

-

L

-

G

M

M

R

R

D

T

R

L

L

T

L

K

F

L

G

M

T

S

P

L

I

S

G

S

R

R

L

L

A

A

T

E

A

P

E

E

E

D

I

I

A

A

R

N

S

V

V

I

L

V

W

F

L

L

C

A

S

S

D

D

D

E

A

A

K

S

Y

F

V

V

V

N

G

G

H

D

S

A

M

V

S

V

V

V

D

D

G

G

V

L

A

T

V

V

active site: G18 (= G20), S144 (= S146), Y157 (= Y159), K161 (= K163), S202 (vs. gap)
binding nicotinamide-adenine-dinucleotide: G14 (= G16), S17 (= S19), G18 (= G20), I19 (= I21), E38 (≠ D40), L39 (≠ I41), R43 (≠ H45), A63 (≠ V65), D64 (= D66), V65 (= V67), N91 (= N93), G93 (= G95), I94 (= I96), T142 (= T144), S144 (= S146), Y157 (= Y159), K161 (= K163), P187 (= P189), V190 (= V192), T192 (≠ S194), N193 (≠ P195), I194 (≠ F196)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
38% identity, 92% coverage: 10:249/262 of query aligns to 8:242/244 of 4nbuB

query
sites
4nbuB

K

K

V

V

V

A

L

I

V

I

T

T

G
|
G

A

A

G

A

S
x
N

G
|
G

I
|
I

G

G

R

L

A

E

T

A

A

A

L

R

A

V

F

F

A

M

Q

K

S

E

G

G

A

A

S

K

V

V

A

V

V

I

A

A

D
|
D

I
x
F

S

N

T

E

D

A

H

A

G

G

L

K

K

E

T

A

V

V

E

E

L

-

V

-

K

-

A

A

E

N

G

P

G

G

E

-

A

V

T

V

F

F

F

I

H

R

V
|
V

D
|
D

V
|
V

G

S

S

D

E

R

P

E

S

S

V

V

Q

H

S

R

M

L

L

V

A

E

G

N

V

V

V

A

A

E

H

R

Y

F

G

G

G

K

L

I

D

D

I

I

A

L

H

I

N

N

N
|
N

A
|
A

G
|
G

I
|
I

E

T

A

R

N
x
D

I

S

V

M

P

-

L

L

A

S

E
x
K

L

M

D

T

S

V

D

D

N

Q

W

F

R

Q

V

V

I

I

D

N

V

V

N
|
N

L

L

S

T

S

G

V

V

F

F

Y

H

C

C

L

T

K

Q

G

A

E

V

I

L

P

P

L

Y

M

M

L

A

K

E

R

Q

G

G

G

K

G

G

A

K

I

I

V

I

N

N

T
|
T

A

S

S
|
S

A

V

S

T

G

G

L

T

I

Y

G

G

G
x
N

Y
x
V

R

G

L
x
Q

S

T

G

N

Y
|
Y

T

A

A

A

T

A

K
|
K

H

A

G

G

V

V

V

I

G

G

L

M

T

T

K

K

A

T

A

W

A

A

I

K

D

E

Y

L

A

A

N

R

Q

K

N

G

I

I

R

N

I

V

N

N

A

A

V

V

C

A

P
|
P

G

G

P
x
F

V
x
T

D

E

S
x
T

P

A

F
x
M

L

V

A

A

D

E

M

V

P

P

Q

E

P

K

M

V

R

I

D

E

R
x
K

L

M

L

K

F

A

G

Q

T

V

P

P

I

M

G

G

R

R

L

L

A

G

T

K

A

P

E

E

E

D

I

I

A

A

R

N

S

A

V

Y

L

L

W

F

L

L

C

A

S

S

D

H

D

E

A

S

K

D

Y

Y

V

V

V

N

G

G

H

H

S

V

M

L

S

H

V

V

D

D

G

G

V

I

active site: G18 (= G20), N111 (= N118), S139 (= S146), Q149 (≠ L156), Y152 (= Y159), K156 (= K163)
binding acetoacetyl-coenzyme a: D93 (≠ N99), K98 (≠ E105), S139 (= S146), N146 (≠ G153), V147 (≠ Y154), Q149 (≠ L156), Y152 (= Y159), F184 (≠ P191), M189 (≠ F196), K200 (≠ R207)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G16), N17 (≠ S19), G18 (= G20), I19 (= I21), D38 (= D40), F39 (≠ I41), V59 (= V65), D60 (= D66), V61 (= V67), N87 (= N93), A88 (= A94), G89 (= G95), I90 (= I96), T137 (= T144), S139 (= S146), Y152 (= Y159), K156 (= K163), P182 (= P189), F184 (≠ P191), T185 (≠ V192), T187 (≠ S194), M189 (≠ F196)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
39% identity, 92% coverage: 10:249/262 of query aligns to 2:237/239 of 3sj7A

query
sites
3sj7A

K

K

V

S

V

A

L

L

V

V

T

T

G
|
G

A

A

G
x
S

S
x
R

G
|
G

I
|
I

G

G

R

R

A

S

T

I

A

A

L

L

A

Q

F

L

A

A

Q

E

S

E

G

G

A

Y

S

N

V

V

A

A

V

V

A
x
N

D
x
Y

I
x
A

-
x
G

S
|
S

T

K

D

E

H

K

G

A

L

E

K

A

T

V

V

V

E

E

L

E

V

I

K

K

A

A

E

K

G

G

G

V

E

D

A

S

T

F

F

A

F

I

H

Q

V
x
A

D
x
N

V
|
V

G

A

S

D

E

A

P

D

S

E

V

V

Q

K

S

A

M

M

L

I

A

K

G

E

V

V

A

S

H

Q

Y

F

G

G

G

S

L

L

D

D

I

V

A

L

H

V

N

N

N
|
N

A
|
A

G

G

I

I

E

T

A

R

N

D

I

N

V

L

P

-

L

L

A

M

E

R

L

M

D

K

S

E

D

Q

N

E

W

W

R

D

V

V

I

I

D

D

V
x
T

N

N

L

L

S

K

S

G

V

V

F

F

Y

N

C

C

L

I

K

Q

G

K

E

A

I

T

P

P

L

Q

M

M

L

L

K

R

R

Q

G

R

G

S

G

G

A

A

I

I

V

I

N

N

T

L

A

S

S
|
S

A

V

S

V

G

G

L

A

I

V

G

G

G

N

Y

P

R

G

L
x
Q

S

A

G

N

Y
|
Y

T

V

A

A

T

T

K
|
K

H

A

G

G

V

V

V

I

G

G

L

L

T

T

K

K

A

S

A

A

I

R

D

E

Y

L

A

A

N

S

Q

R

N

G

I

I

R

T

I

V

N

N

A

A

V

V

C

A

P
|
P

G
|
G

P

F

V

I

D

-

S

-

P

-

F

-

L

V

A

S

D

D

M

M

P

T

Q

D

P

E

M

L

R

K

D

E

R

Q

L

M

L

L

F

T

G

Q

T

I

P

P

I

L

G

A

R

R

L

F

A

G

T

Q

A

D

E

T

E

D

I

I

A

A

R

N

S

T

V

V

L

A

W

F

L

L

C

A

S

S

D

D

D

K

A

A

K

K

Y

Y

V

I

V

T

G

G

H

Q

S

T

M

I

S

H

V

V

D

N

G

G

V

M

active site: G12 (= G20), S138 (= S146), Q148 (≠ L156), Y151 (= Y159), K155 (= K163)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G16), S10 (≠ G18), R11 (≠ S19), I13 (= I21), N31 (≠ A39), Y32 (≠ D40), A33 (≠ I41), G34 (vs. gap), S35 (= S42), A58 (≠ V65), N59 (≠ D66), V60 (= V67), N86 (= N93), A87 (= A94), T109 (≠ V117), S138 (= S146), Y151 (= Y159), K155 (= K163), P181 (= P189), G182 (= G190)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
38% identity, 92% coverage: 10:249/262 of query aligns to 5:244/246 of 3osuA

query
sites
3osuA

K

K

V

S

V

A

L

L

V

V

T

T

G

G

A

A

G

S

S

R

G
|
G

I

I

G

G

R

R

A

S

T

I

A

A

L

L

A

Q

F

L

A

A

Q

E

S

E

G

G

A

Y

S

N

V

V

A

A

V

V

A

N

D

Y

I

A

-

G

S

S

T

K

D

E

H

K

G

A

L

E

K

A

T

V

V

V

E

E

L

E

V

I

K

K

A

A

E

K

G

G

G

V

E

D

A

S

T

F

F

A

F

I

H

Q

V

A

D

N

V

V

G

A

S

D

E

A

P

D

S

E

V

V

Q

K

S

A

M

M

L

I

A

K

G

E

V

V

A

S

H

Q

Y

F

G

G

G

S

L

L

D

D

I

V

A

L

H

V

N

N

N
|
N

A

A

G

G

I

I

E

T

A

R

N

D

I

N

V

L

P

-

L

L

A

M

E

R

L

M

D

K

S

E

D

Q

N

E

W

W

R

D

V

V

I

I

D

D

V

T

N

N

L

L

S

K

S

G

V

V

F

F

Y

N

C

C

L

I

K

Q

G

K

E

A

I

T

P

P

L

Q

M

M

L

L

K

R

R

Q

G

R

G

S

G

G

A

A

I

I

V

I

N

N

T

L

A

S

S
|
S

A

V

S

V

G

G

L

A

I

V

G

G

G

N

Y

P

R

G

L
x
Q

S

A

G

N

Y
|
Y

T

V

A

A

T

T

K
|
K

H

A

G

G

V

V

V

I

G

G

L

L

T

T

K

K

A

S

A

A

I

R

D

E

Y

L

A

A

N

S

Q

R

N

G

I

I

R

T

I

V

N

N

A

A

V

V

C

A

P

P

G

G

P

F

V

I

D

V

S

S

P

D

F

M

L

T

A

D

D

A

M

L

P

S

Q

D

P

E

M

L

R

K

D

E

R

Q

L

M

L

L

F

T

G

Q

T

I

P

P

I

L

G

A

R

R

L

F

A

G

T

Q

A

D

E

T

E

D

I

I

A

A

R

N

S

T

V

V

L

A

W

F

L

L

C

A

S

S

D

D

D

K

A

A

K

K

Y

Y

V

I

V

T

G

G

H

Q

S

T

M

I

S

H

V

V

D

N

G

G

V

M

active site: G15 (= G20), S141 (= S146), Q151 (≠ L156), Y154 (= Y159), K158 (= K163)
binding magnesium ion: N89 (= N93), K158 (= K163)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
37% identity, 93% coverage: 6:248/262 of query aligns to 4:251/255 of 5itvA

query
sites
5itvA

D

N

F

L

S

T

G

D

K

K

V

T

V

V

L

L

V

I

T

T

G
|
G

A

G

G

A

S
|
S

G
|
G

I
|
I

G

G

R

Y

A

A

T

A

A

V

L

Q

A

A

F

F

A

L

Q

G

S

Q

G

Q

A

A

S

N

V

V

A

V

V

V

A

A

D
|
D

I
|
I

S

D

T

E

D

A

H

Q

G

G

L

E

K

A

T

M

V

V

E

R

L

-

V

-

K

K

A

E

E

N

G

N

G

D

E

R

A

L

T

H

F

F

F

V

H

Q

V
x
T

D

D

V
x
I

G

T

S

D

E

E

P

A

S

A

V

C

Q

Q

S

H

M

A

L

V

A

E

G

S

V

A

V

V

A

H

H

T

Y

F

G

G

L

L

D

D

I

V

A

L

H

I

N

N

N
|
N

A

A

G
|
G

I

I

E

E

A

I

N

-

I

V

V

A

P

P

L

I

A

H

E

E

L

M

D

E

S

L

D

S

N

D

W

W

R

N

R

K

V

V

I

L

D

Q

V

V

N

N

L

L

S

T

S

G

V

M

F

F

Y

L

C

M

L

S

K

K

G

H

E

A

I

L

P

K

L

H

M

M

L

L

K

A

R

A

G

G

G

K

G

G

A

N

I

I

V

I

N

N

T
|
T

A

C

S
|
S

A

V

S

G

G

G

L

L

I

V

G

A

G

W

Y

P

R

D

L

I

S

P

G

A

Y
|
Y

T

N

A

A

T

S

K
|
K

H

G

G

G

V

V

V

L

G

Q

L

L

T

T

K

K

A

S

A

M

A

A

I

V

D

D

Y

Y

A

A

N

K

Q

H

N

Q

I

I

R

R

I

V

N

N

A

C

V

V

C

C

P
|
P

G
|
G

P
x
I

V
x
I

D

D

S

T

P

P

-

L

-

N

-

E

-

K

-

S

F

F

L

L

A

E

D

N

M

N

P

E

-

G

-

T

-

L

Q

E

P

E

M

I

R

K

D

K

R

E

L

K

L

A

F

K

G

V

T

N

P

P

I

L

G

L

R

R

L

L

A

G

T

K

A

P

E

E

I

I

A

A

R

N

S

V

V

M

L

L

W

F

L

L

C

A

S

S

D

D

D

L

A

S

K

S

Y

Y

V

M

V

T

G

G

H

S

S

A

M

I

S

T

V

A

D

D

G

G

active site: G18 (= G20), S141 (= S146), Y154 (= Y159), K158 (= K163)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G16), S17 (= S19), G18 (= G20), I19 (= I21), D38 (= D40), I39 (= I41), T61 (≠ V65), I63 (≠ V67), N89 (= N93), G91 (= G95), T139 (= T144), S141 (= S146), Y154 (= Y159), K158 (= K163), P184 (= P189), G185 (= G190), I186 (≠ P191), I187 (≠ V192)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
38% identity, 95% coverage: 1:250/262 of query aligns to 2:251/258 of 4wecA

query
sites
4wecA

M

M

T

D

V

L

N

T

Y

Q

D

R

F

L

S

A

G

G

K

K

V

V

V

A

L

V

V

I

T

T

G
|
G

A

G

G
x
A

S
|
S

G
|
G

I
|
I

G

G

R

L

A

A

T

T

A

G

L

R

A

R

F

L

A

R

Q

A

S

E

G

G

A

A

S

T

V

V

A

V

V

V

A

G

D
|
D

I
|
I

S

D

T

P

D

T

H

T

G

G

L

K

K

A

T

A

V

A

E

D

L

E

V

L

K

-

A

-

E

-

G

-

E

E

A

G

T

L

F

F

F

V

H

P

V
|
V

D
|
D

V
|
V

G

S

S

E

E

Q

P

E

S

A

V

V

Q

D

S

N

M

L

L

F

A

D

G

T

V

A

A

S

H

T

Y

F

G

G

G

R

L

V

D

D

I

I

A

A

H

F

N

N

N
|
N

A

A

G

G

I

I

E

S

A

P

N

P

I

E

V

D

P

D

L

L

A

I

E

E

-

N

L

T

D

D

S

L

D

P

N

A

W

W

R

Q

R

R

V

V

I

Q

D

D

V

I

N

N

L

L

S

K

S

S

V

V

F

Y

Y

L

C

S

L

C

K

R

G

A

E

A

I

L

P

R

L

H

M

M

L

V

K

P

R

A

G

G

G

K

G

G

A

S

I

I

V

I

N

N

T
|
T

A

A

S
|
S

A

F

S

V

G

A

L

V

I

M

G

G

G

S

Y

A

R

T

L

S

S
x
Q

-

I

G

S

Y
|
Y

T

T

A

A

T

S

K
|
K

H

G

G

G

V

V

V

L

G

A

L

M

T

S

K

R

A

E

A

L

A

G

I

V

D

Q

Y

Y

A

A

N

R

Q

Q

N

G

I

I

R

R

I

V

N

N

A

A

V

L

C

C

P
|
P

G

G

P
|
P

V
|
V

D

N

S

T

P

P

F

L

L

L

A

Q

D

E

M

L

-

F

-

A

P

K

Q

D

P

P

M

E

R

R

-

A

D

A

R

R

L

R

L

L

F

V

G

H

T

I

P

P

I

L

G

G

R

R

L

F

A

A

T

E

A

P

E

E

I

L

A

A

R

A

S

A

V

V

L

A

W

F

L

L

C

A

S

S

D

D

A

A

K

S

Y

F

V

I

V

T

G

G

H

S

S

T

M

F

S

L

V

V

D

D

G

G

V

I

A

S

active site: G21 (= G20), S143 (= S146), Q154 (≠ S157), Y157 (= Y159), K161 (= K163)
binding nicotinamide-adenine-dinucleotide: G17 (= G16), A19 (≠ G18), S20 (= S19), G21 (= G20), I22 (= I21), D41 (= D40), I42 (= I41), V61 (= V65), D62 (= D66), V63 (= V67), N89 (= N93), T141 (= T144), Y157 (= Y159), K161 (= K163), P187 (= P189), P189 (= P191), V190 (= V192)

5h5xC Crystal structure of nadh bound carbonyl reductase from streptomyces coelicolor
44% identity, 95% coverage: 6:254/262 of query aligns to 10:257/257 of 5h5xC

query
sites
5h5xC

D

E

F

F

S

A

G

G

K

R

V

T

V

A

L

L

V

V

T

T

G
|
G

A

A

G

A

S
|
S

G
|
G

I
|
I

G

G

R

L

A

A

T

T

A

A

L

R

A

R

F

L

A

G

Q

A

S

G

G

G

A

A

S

R

V

V

A

V

V

V

A

A

D
|
D

I
x
F

S

N

T

A

D

E

H

G

G

A

L

E

K

K

T

A

V

A

E

A

L

E

V

L

K

R

A

A

E

G

G

G

G

V

E

E

A

A

T

A

F

A

F

V

H

E

V
x
L

D
|
D

V

V

G

T

S

R

E

P

P

E

S

S

V

V

Q

E

S

A

M

A

L

V

A

G

G

F

V

A

V

V

A

D

H

T

Y

F

G

G

G

S

L

L

D

D

I

L

A

A

H

V

N

N

N
|
N

A
|
A

G

G

I

I

E

G

A

G

N

P

I

S

V

A

P

P

L

T

A

G

E

E

L

Y

D

D

S

V

D

A

N

A

W

Y

R

Q

R

R

V

V

I

V

D

R

V

T

N

N

L

L

S

D

S

G

V

V

F

F

Y

Y

C

S

L

M

K

R

G

Y

E

E

I

L

P

P

L

A

M

I

L

E

K

A

R

A

G

G

-

K

G

G

A

S

I

I

V

V

N

N

T

V

A

A

S
|
S

A

I

S

L

G

G

L

S

I

V

G

G

G

F

Y

A

R

G

L

S

S

P

G

A

Y
|
Y

T

V

A

A

T

A

K
|
K

H

H

G

G

V

V

G

G

L

L

T

T

K

K

A

A

I

A

D

E

Y

Y

A

A

N

A

Q

R

N

G

I

I

R

R

I

I

N

N

A

A

V

V

C

G

P
|
P

G
|
G

P

F

V
x
I

D

D

S
x
T

P

P

F

L

L

L

A

K

D

T

M

M

P

E

Q

E

P

A

M

A

R

Y

D

K

R

G

L

L

L

V

F

A

G

L

T

H

P

P

I

A

G

G

R

R

L

L

A

G

T

R

A

S

E

D

E

E

I

V

A

A

R

E

S

L

V

I

L

V

W

F

L

L

C

L

S

S

D

D

D

R

A

A

K

S

Y

F

V

V

V

A

G

G

H

S

S

Y

M

H

S

L

V

V

D

D

G

G

G

-

V

-

A

A

V

Y

T

T

A

A

V

V

active site: G24 (= G20), S151 (= S146), Y164 (= Y159), K168 (= K163)
binding 1,4-dihydronicotinamide adenine dinucleotide: G20 (= G16), S23 (= S19), G24 (= G20), I25 (= I21), D44 (= D40), F45 (≠ I41), L69 (≠ V65), D70 (= D66), N97 (= N93), A98 (= A94), Y164 (= Y159), K168 (= K163), P194 (= P189), G195 (= G190), I197 (≠ V192), T199 (≠ S194)

1edoA The x-ray structure of beta-keto acyl carrier protein reductase from brassica napus complexed with NADP+ (see paper)
37% identity, 92% coverage: 11:251/262 of query aligns to 3:244/244 of 1edoA

query
sites
1edoA

V

V

L

V

V

V

T

T

G
|
G

A

A

G
x
S

S
x
R

G
|
G

I
|
I

G

G

R

K

A

A

T

I

A

A

L

L

A

S

F

L

A

G

Q

K

S

A

G

G

A

C

S

K

V

V

A

L

V

V

A
x
N

D
x
Y

I
x
A

S
x
R

T
x
S

D

A

H

K

G

A

L

A

K

E

T

E

V

V

-

S

E

K

L

Q

V

I

K

E

A

A

E

Y

G

G

E

Q

A

A

T

I

F

T

F

F

H

G

V

G

D
|
D

V
|
V

G

S

S

K

E

E

P

A

S

D

V

V

Q

E

S

A

M

M

L

M

A

K

G

T

V

A

V

I

A

D

H

A

Y

W

G

G

G

T

L

I

D

D

I

V

A

V

H

V

N

N

N
|
N

A
|
A

G

G

I

I

E

T

A

R

N

D

I

T

V

L

P

-

L

L

A

I

E

R

L

M

D

K

S

K

D

S

N

Q

W

W

R

D

R

E

V

V

I

I

D

D

V

L

N

N

L

L

S

T

S

G

V

V

F

F

Y

L

C

C

L

T

K

Q

G

A

E

A

I

T

P

K

L

I

M

M

L

M

K

K

R

K

G

R

G

K

G

G

A

R

I

I

V

I

N

N

T

I

A

A

S
|
S

A

V

S

V

G

G

L

L

I

I

G

G

G

N

Y

I

R

G

L

Q

S

A

G

N

Y
|
Y

T

A

A

A

T

A

K
|
K

H

A

G

G

V

V

V

I

G

G

L

F

T

S

K

K

A

T

A

A

I

R

D

E

Y

G

A

A

N

S

Q

R

N

N

I

I

R

N

I

V

N

N

A

V

V

V

C

C

P
|
P

G
|
G

P

F

V
x
I

D

A

S
|
S

P

D

F
x
M

L

T

A

A

D

K

M

L

P

G

Q

E

P

D

M

M

R

E

D

K

R

K

L

I

L

L

F

G

G

T

T

I

P

P

I

L

G

G

R

R

L

T

A

G

T

Q

A

P

E

E

E

N

I

V

A

A

R

G

S

L

V

V

L

E

W

F

L

L

C

A

-

L

S

S

D

P

D

A

A

A

K

S

Y

Y

V

I

V

T

G

G

H

Q

S

A

M

F

S

T

V

I

D

D

G

G

V

I

A

A

V

I

active site: G12 (= G20), S138 (= S146), Y151 (= Y159), K155 (= K163)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G16), S10 (≠ G18), R11 (≠ S19), I13 (= I21), N31 (≠ A39), Y32 (≠ D40), A33 (≠ I41), R34 (≠ S42), S35 (≠ T43), D59 (= D66), V60 (= V67), N86 (= N93), A87 (= A94), S138 (= S146), Y151 (= Y159), K155 (= K163), P181 (= P189), G182 (= G190), I184 (≠ V192), S186 (= S194), M188 (≠ F196)

Q9LBG2 Levodione reductase; (6R)-2,2,6-trimethyl-1,4-cyclohexanedione reductase; EC 1.1.1.- from Leifsonia aquatica (Corynebacterium aquaticum) (see paper)
37% identity, 92% coverage: 7:248/262 of query aligns to 11:262/267 of Q9LBG2

query
sites
Q9LBG2

F

F

S

T

G

D

K

R

V

V

L
|
L

V
x
I

T
|
T

G
|
G

A
x
G

G
|
G

S
|
S

G
|
G

I
x
L

G
|
G

R
|
R

A
|
A

T
|
T

A
|
A

L
x
V

A
x
R

F
x
L

A
|
A

Q
x
A

S
x
E

G
|
G

A
|
A

S
x
K

V
x
L

A
x
S

V
x
L

A

V

D

D

I

V

S

S

T

S

D

E

-

G

-

L

H

E

G

A

L

S

K

K

T

A

V

A

E

V

L

L

V

E

K

T

A

A

E

P

G

D

G

A

E

E

A

V

T

L

F

T

H

V

V

A

D

D

V

V

G

S

S

D

E

E

P

A

S

Q

V

V

Q

E

S

A

M

Y

L

V

A

T

G

A

V

T

A

E

H

R

Y

F

G

G

G

R

L

I

D

D

I

G

A

F

H

F

N

N

A

A

G

G

I

I

E
|
E

A

G

N

K

I

Q

V

N

P

P

L

T

A

E

E

S

L

F

D

T

S

A

D

A

N

E

W

F

R

D

R

K

V

V

I

V

D

S

V

I

N

N

L

L

S

R

S

G

V

V

F

F

Y

L

C

G

L

L

K

E

G

K

E

V

I

L

P

K

L

I

M

M

L

R

K

E

R

Q

G

G

G

S

G

G

A

M

I

V

V

V

N

N

T

T

A

A

S

S

A

V

S

G

G

G

L

I

I

R

G

G

G

I

Y

G

R

N

L

Q

S

S

G

G

Y

Y

T

A

A

A

T

A

K

K

H

H

G

G

V

V

G

G

L

L

T

T

K

R

A

N

A

S

A

A

I

V

D

E

Y

Y

A

G

N

R

Q

Y

N

G

I

I

R

R

I

I

N

N

A

A

V

I

C

A

P

P

G

G

P

A

V

I

D

W

S

T

P

P

F

M

L

V

A

E

-

N

-

S

-

M

-

K

-

Q

-

L

-

D

-

P

D

E

M

N

P

P

Q

R

P

K

M

A

R

A

D

E

R

E

L

F

L

I

F

Q

G

V

T

N

P

P

I

S

G

K

R

R

L

Y

A

G

T

E

A

A

E

P

E

E

I

I

A

A

R

A

S

V

V

V

L

A

W

F

L

L

C

L

S

S

D

D

A

A

K

S

Y

Y

V

V

V

N

G

A

H

T

S

V

M

V

S

P

V

I

D

D

G

G

17:42 (vs. 13:38, 54% identical) binding
E103 (= E97) mutation E->A,D,N,Q: 26-fold increase in Km and a much lower enantiomeric excess of the reaction products.

1iy8A Crystal structure of levodione reductase (see paper)
37% identity, 92% coverage: 7:248/262 of query aligns to 2:253/258 of 1iy8A

query
sites
1iy8A

F

F

S

T

G

D

K

R

V

V

L

L

V

I

T

T

G
|
G

A

G

G

G

S
|
S

G
|
G

I
x
L

G

G

R

R

A

A

T

T

A

A

L

V

A

R

F

L

A

A

Q

A

S

E

G

G

A

A

S

K

V

L

A

S

V

L

A

V

D
|
D

I
x
V

S

S

T

S

D

E

-

G

-

L

H

E

G

A

L

S

K

K

T

A

V

A

E

V

L

L

V

E

K

T

A

A

E

P

G

D

G

A

E

E

A

V

T

L

F

T

H

V

V
x
A

D
|
D

V
|
V

G

S

S

D

E

E

P

A

S

Q

V

V

Q

E

S

A

M

Y

L

V

A

T

G

A

V

T

A

E

H

R

Y

F

G

G

G

R

L

I

D

D

I

G

A

F

H

F

N

N

N
|
N

A

A

G
|
G

I
|
I

E

E

A

G

N

K

I

Q

V

N

P

P

L

T

A

E

E

S

L

F

D

T

S

A

D

A

N

E

W

F

R

D

R

K

V

V

I

V

D

S

V

I

N

N

L

L

S

R

S

G

V

V

F

F

Y

L

C

G

L

L

K

E

G

K

E

V

I

L

P

K

L

I

M

M

L

R

K

E

R

Q

G

G

G

S

G

G

A

M

I

V

V

V

N

N

T
|
T

A

A

S
|
S

A

V

S

G

G

G

L

I

I

R

G

G

G

I

Y

G

R

N

L
x
Q

S

S

G

G

Y
|
Y

T

A

A

A

T

A

K
|
K

H

H

G

G

V

V

G

G

L

L

T

T

K

R

A

N

A

S

A

A

I

V

D

E

Y

Y

A

G

N

R

Q

Y

N

G

I

I

R

R

I

I

N

N

A

A

V

I

C

A

P
|
P

G
|
G

P

A

V

I

D

W

S
x
T

P
|
P

F
x
M

L

V

A

E

-

N

-

S

-

M

-

K

-

Q

-

L

-

D

-

P

D

E

M

N

P

P

Q

R

P

K

M

A

R

A

D

E

R

E

L

F

L

I

F

Q

G

V

T

N

P

P

I

S

G

K

R

R

L

Y

A

G

T

E

A

A

E

P

E

E

I

I

A

A

R

A

S

V

V

V

L

A

W

F

L

L

C

L

S

S

D

D

A

A

K

S

Y

Y

V

V

V

N

G

A

H

T

S

V

M

V

S

P

V

I

D

D

G

G

active site: G15 (= G20), S143 (= S146), Q153 (≠ L156), Y156 (= Y159), K160 (= K163)
binding nicotinamide-adenine-dinucleotide: G11 (= G16), S14 (= S19), G15 (= G20), L16 (≠ I21), D35 (= D40), V36 (≠ I41), A62 (≠ V65), D63 (= D66), V64 (= V67), N90 (= N93), G92 (= G95), I93 (= I96), T141 (= T144), S143 (= S146), Y156 (= Y159), K160 (= K163), P186 (= P189), G187 (= G190), T191 (≠ S194), P192 (= P195), M193 (≠ F196)

6xewA Structure of serratia marcescens 2,3-butanediol dehydrogenase (see paper)
39% identity, 92% coverage: 7:248/262 of query aligns to 3:240/251 of 6xewA

query
sites
6xewA

F

F

S

D

G

N

K

K

V

V

L

V

V

I

T

T

G
|
G

A

A

G

G

S
x
N

G
|
G

I
x
M

G

G

R

E

A

A

T

A

A

A

L

R

A

R

F

F

A

S

Q

A

S

E

G

G

A

A

S

I

V

V

A

V

V

L

A

A

D
|
D

I
x
W

S
x
A

T

K

D

E

H

-

G

-

L

-

K

-

T

A

V

V

E

D

L

K

V

V

K

A

A

A

E

S

-

L

-

P

G

K

G

G

E

R

A

A

T

M

F

A

F

V

H

H

V
x
I

D
|
D

V
|
V

G

S

S

D

E

H

P

V

S

A

V

V

Q

E

S

K

M

M

L

M

A

N

G

E

V

V

V

A

A

E

H

K

Y

L

G

G

G

R

L

I

D

D

I

V

A

L

H

L

N

N

N
|
N

A
|
A

G
|
G

I

V

E

H

A

V

N

A

I

G

V

S

P

V

L

L

A

-

E

E

L

T

D

S

S

I

D

D

N

D

W

W

R

R

V

I

I

A

D

G

V
|
V

N

D

L

I

S

D

S

G

V

V

F

V

Y

F

C

C

L

S

K

K

G

F

E

A

I

L

P

P

L

H

M

L

L

L

K

K

R

T

G

K

G

G

G

-

A

C

I

I

V

V

N

N

T
|
T

A

A

S
|
S

A

V

S
|
S

G

G

L

L

I

G

G

G

G

D

Y

W

R

G

L

A

S

A

G

Y

Y
|
Y

T

C

A

A

T

A

K
|
K

H

G

G

A

V

V

G

N

L

L

T

T

K

R

A

A

A

M

A

A

I

L

D

D

Y

H

A

G

N

G

Q

D

N

G

I

V

R

R

I

I

N

N

A

S

V

V

C

C

P

P

G
x
S

P
x
L

V
|
V

D

K

S
x
T

P
x
N

F
x
M

L
x
T

A

N

D

G

M

W

P

P

Q

Q

P

E

M

I

R

R

D

D

R

K

L

F

L

N

F

E

G

R

T

I

P

A

I

L

G

G

R

R

L

A

A

A

T

E

A

P

E

E

I

V

A

A

R

A

S

V

V

M

L

A

W

F

L

L

C

A

S

S

D

D

A

A

K

S

Y

F

V

I

V

N

G

G

H

A

S

N

M

I

S

P

V

V

D

D

G

G

active site: G16 (= G20), S138 (= S146), Y151 (= Y159)
binding r,3-hydroxybutan-2-one: S138 (= S146), S140 (= S148), Y151 (= Y159)
binding s,3-hydroxybutan-2-one: S138 (= S146), Y151 (= Y159), S182 (≠ G190)
binding nicotinamide-adenine-dinucleotide: G12 (= G16), N15 (≠ S19), G16 (= G20), M17 (≠ I21), D36 (= D40), W37 (≠ I41), W37 (≠ I41), A38 (≠ S42), I59 (≠ V65), D60 (= D66), V61 (= V67), N87 (= N93), A88 (= A94), G89 (= G95), V110 (= V117), T136 (= T144), S138 (= S146), Y151 (= Y159), K155 (= K163), S182 (≠ G190), L183 (≠ P191), V184 (= V192), T186 (≠ S194), N187 (≠ P195), M188 (≠ F196), T189 (≠ L197)

6vspB Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
39% identity, 92% coverage: 7:248/262 of query aligns to 5:242/252 of 6vspB

query
sites
6vspB

F

F

S

D

G

N

K

K

V

V

L

V

V

I

T

T

G
|
G

A

A

G

G

S
x
N

G
|
G

I

M

G

G

R

E

A

A

T

A

A

A

L

R

A

R

F

F

A

S

Q

A

S

E

G

G

A

A

S

I

V

V

A

V

V

L

A

A

D
|
D

I
x
W

S

A

T

K

D

E

H

-

G

-

L

-

K

-

T

A

V

V

E

D

L

K

V

V

K

A

A

A

E

S

-

L

-

P

G

K

G

G

E

R

A

A

T

M

F

A

F

V

H

H

V
x
I

D
|
D

V
|
V

G

S

S

D

E

H

P

V

S

A

V

V

Q

E

S

K

M

M

L

M

A

N

G

E

V

V

V

A

A

E

H

K

Y

L

G

G

G

R

L

I

D

D

I

V

A

L

H

L

N

N

A

A

G
|
G

I

V

E

H

A

V

N

A

I

G

V

S

P

V

L

L

A

-

E

E

L

T

D

S

S

I

D

D

N

D

W

W

R

R

V

I

I

A

D

G

V

V

N

D

L

I

S

D

S

G

V

V

F

V

Y

F

C

C

L

S

K

K

G

F

E

A

I

L

P

P

L

H

M

L

L

L

K

K

R

T

G

K

G

G

G

-

A

C

I

I

V

V

N

N

T

T

A

A

S
|
S

A

V

S

S

G

G

L

L

I

G

G

G

G

D

Y

W

R

G

L

A

S

A

G

Y

Y
|
Y

T

C

A

A

T

A

K

K

H

G

G

A

V

V

G

N

L

L

T

T

K

R

A

A

A

M

A

A

I

L

D

D

Y

H

A

G

N

G

Q

D

N

G

I

V

R

R

I

I

N

N

A

S

V

V

C

C

P

P

G

S

P

L

V

V

D

K

S

T

P

N

F

M

L

T

A

N

D

G

M

W

P

P

Q

Q

P

E

M

I

R

R

D

D

R

K

L

F

L

N

F

E

G

R

T

I

P

A

I

L

G

G

R

R

L

A

A

A

T

E

A

P

E

E

I

V

A

A

R

A

S

V

V

M

L

A

W

F

L

L

C

A

S

S

D

D

A

A

K

S

Y

F

V

I

V

N

G

G

H

A

S

N

M

I

S

P

V

V

D

D

G

G

active site: G18 (= G20), S140 (= S146), Y153 (= Y159)
binding adenosine-5'-diphosphate: G14 (= G16), N17 (≠ S19), D38 (= D40), W39 (≠ I41), I61 (≠ V65), D62 (= D66), V63 (= V67), G91 (= G95)

H9XP47 Meso-2,3-butanediol dehydrogenase; BDH; meso-2,3-BDH; (R,S)-butane-2,3-diol dehydrogenase; NAD(H)-dependent meso-2,3-BDH; SmBdh; EC 1.1.1.- from Serratia marcescens (see paper)
39% identity, 92% coverage: 7:248/262 of query aligns to 3:240/251 of H9XP47

query
sites
H9XP47

F

F

S

D

G

N

K

K

V

V

L

V

V

I

T

T

G

G

A

A

G

G

S
x
N

G

G

I
x
M

G

G

R

E

A

A

T

A

A

A

L

R

A

R

F

F

A

S

Q

A

S

E

G

G

A

A

S

I

V

V

A

V

V

L

A

A

D
|
D

I

W

S

A

T

K

D

E

H

-

G

-

L

-

K

-

T

A

V

V

E

D

L

K

V

V

K

A

A

A

E

S

-

L

-

P

G

K

G

G

E

R

A

A

T

M

F

A

F

V

H

H

V

I

D
|
D

V
|
V

G

S

S

D

E

H

P

V

S

A

V

V

Q

E

S

K

M

M

L

M

A

N

G

E

V

V

V

A

A

E

H

K

Y

L

G

G

G

R

L

I

D

D

I

V

A

L

H

L

N

N

N
|
N

A

A

G

G

I

V

E

H

A

V

N

A

I

G

V

S

P

V

L

L

A

-

E

E

L

T

D

S

S

I

D

D

N

D

W

W

R

R

V

I

I

A

D

G

V

V

N

D

L

I

S

D

S

G

V

V

F

V

Y

F

C

C

L

S

K

K

G

F

E

A

I

L

P

P

L

H

M

L

L

L

K

K

R

T

G

K

G

G

G

-

A

C

I

I

V

V

N

N

T

T

A

A

S
|
S

A
x
V

S
|
S

G

G

L

L

I

G

G

G

G

D

Y

W

R

G

L

A

S

A

G

Y

Y
|
Y

T

C

A

A

T

A

K
|
K

H

G

G

A

V

V

G

N

L

L

T

T

K

R

A

A

A

M

A

A

I

L

D

D

Y

H

A

G

N

G

Q

D

N

G

I

V

R

R

I

I

N

N

A

S

V

V

C

C

P

P

G

S

P

L

V
|
V

D

K

S
x
T

P

N

F

M

L

T

A

N

D

G

M

W

P

P

Q

Q

P

E

M

I

R
|
R

D
|
D

R
x
K

L

F

L

N

F

E

G

R

T

I

P

A

I

L

G

G

R

R

L

A

A

A

T

E

A

P

E

E

I

V

A

A

R

A

S

V

V

M

L

A

W

F

L

L

C

A

S

S

D

D

A

A

K

S

Y

F

V

I

V

N

G

G

H

A

S

N

M

I

S

P

V

V

D

D

G

G

N15 (≠ S19) binding
M17 (≠ I21) binding
D36 (= D40) binding
D60 (= D66) binding
V61 (= V67) binding
N87 (= N93) binding
S138 (= S146) binding ; binding
V139 (≠ A147) mutation to Q: Retains 50% of activity with acetoin as substrate; when associated with A-247.
S140 (= S148) binding
Y151 (= Y159) binding ; binding ; binding
K155 (= K163) binding
V184 (= V192) binding
T186 (≠ S194) binding
RDK 197:199 (≠ RDR 205:207) mutation to SEAAGKPLGYGTET: Mimics longer alpha6 helix. Retains 3% of activity with acetoin as substrate.

Sites not aligning to the query:

247 Q→A: Retains 10% of activity with acetoin as substrate. Retains 50% of activity with acetoin as substrate; when associated with Q-139.

6vspA Structure of serratia marcescens 2,3-butanediol dehydrogenase mutant q247a (see paper)
39% identity, 92% coverage: 7:248/262 of query aligns to 3:240/251 of 6vspA

query
sites
6vspA

F

F

S

D

G

N

K

K

V

V

L

V

V

I

T

T

G
|
G

A

A

G

G

S
x
N

G
|
G

I
x
M

G

G

R

E

A

A

T

A

A

A

L

R

A

R

F

F

A

S

Q

A

S

E

G

G

A

A

S

I

V

V

A

V

V

L

A

A

D
|
D

I
x
W

S
x
A

T

K

D

E

H

-

G

-

L

-

K

-

T

A

V

V

E

D

L

K

V

V

K

A

A

A

E

S

-

L

-

P

G

K

G

G

E

R

A

A

T

M

F

A

F

V

H

H

V
x
I

D
|
D

V
|
V

G

S

S

D

E

H

P

V

S

A

V

V

Q

E

S

K

M

M

L

M

A

N

G

E

V

V

V

A

A

E

H

K

Y

L

G

G

G

R

L

I

D

D

I

V

A

L

H

L

N

N

N
|
N

A
|
A

G
|
G

I
x
V

E

H

A

V

N

A

I

G

V

S

P

V

L

L

A

-

E

E

L

T

D

S

S

I

D

D

N

D

W

W

R

R

V

I

I

A

D

G

V
|
V

N

D

L

I

S

D

S

G

V

V

F

V

Y

F

C

C

L

S

K

K

G

F

E

A

I

L

P

P

L

H

M

L

L

L

K

K

R

T

G

K

G

G

G

-

A

C

I

I

V

V

N

N

T
|
T

A

A

S
|
S

A

V

S

S

G

G

L

L

I

G

G

G

G

D

Y

W

R

G

L

A

S

A

G

Y

Y
|
Y

T

C

A

A

T

A

K
|
K

H

G

G

A

V

V

G

N

L

L

T

T

K

R

A

A

A

M

A

A

I

L

D

D

Y

H

A

G

N

G

Q

D

N

G

I

V

R

R

I

I

N

N

A

S

V

V

C

C

P
|
P

G
x
S

P
x
L

V
|
V

D

K

S
x
T

P
x
N

F
x
M

L
x
T

A

N

D

G

M

W

P

P

Q

Q

P

E

M

I

R

R

D

D

R

K

L

F

L

N

F

E

G

R

T

I

P

A

I

L

G

G

R

R

L

A

A

A

T

E

A

P

E

E

I

V

A

A

R

A

S

V

V

M

L

A

W

F

L

L

C

A

S

S

D

D

A

A

K

S

Y

F

V

I

V

N

G

G

H

A

S

N

M

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S

P

V

V

D

D

G

G

active site: G16 (= G20), S138 (= S146), Y151 (= Y159)
binding nicotinamide-adenine-dinucleotide: G12 (= G16), N15 (≠ S19), G16 (= G20), M17 (≠ I21), D36 (= D40), W37 (≠ I41), W37 (≠ I41), A38 (≠ S42), I59 (≠ V65), D60 (= D66), V61 (= V67), N87 (= N93), A88 (= A94), G89 (= G95), V90 (≠ I96), V110 (= V117), T136 (= T144), S138 (= S146), Y151 (= Y159), K155 (= K163), P181 (= P189), S182 (≠ G190), L183 (≠ P191), V184 (= V192), T186 (≠ S194), N187 (≠ P195), M188 (≠ F196), T189 (≠ L197)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
36% identity, 93% coverage: 7:249/262 of query aligns to 3:245/247 of 4jroC

query
sites
4jroC

F

L

S

Q

G

G

K

K

V

V

V

A

L

V

V

V

T

T

G
|
G

A

G

G
x
S

S
x
R

G
|
G

I
|
I

G

G

R

R

A

D

T

I

A

A

L

I

A

N

F

L

A

A

Q

K

S

E

G

G

A

A

S

N

V

I

A

F

V

F

A
x
N

-
x
Y

D
x
N

I
x
G

S
|
S

T

P

D

E

H

A

G

A

L

E

K

E

T

T

V

A

E

K

L

L

V

V

K

A

A

E

E

H

G

G

G

V

E

E

A

V

T

E

F

A

F

M

H

K

V

A

D
x
N

V
|
V

G

A

S

I

E

A

P

E

S

D

V

V

Q

D

S

A

M

F

L

F

A

K

G

Q

V

A

V

I

A

E

H

R

Y

F

G

G

G

R

L

V

D

D

I

I

A

L

H

V

N

N

N
|
N

A
|
A

G

G

I
|
I

E

T

A

R

N

D

I

N

V

L

P

-

L

L

A

M

E

R

L

M

D

K

S

E

D

D

N

E

W

W

R

D

V

V

I

I

D

N

V
x
I

N

N

L

L

S

K

S

G

V

T

F

F

Y

L

C

C

L

T

K

K

G

A

E

V

I

S

P

R

L

T

M

M

L

M

K

K

R

Q

G

R

G

A

G

G

A

K

I

I

V

I

N

N

T

M

A

A

S
|
S

A

V

S

V

G

G

L

L

I

I

G

G

G

N

Y

A

R

G

L
x
Q

S

A

G

N

Y
|
Y

T

V

A

A

T

S

K
|
K

H

A

G

G

V

V

V

I

G

G

L

L

T

T

K

K

A

T

A

A

I

R

D

E

Y

L

A

A

N

P

Q

R

N

G

I

I

R

N

I

V

N

N

A

A

V

V

C

A

P
|
P

G

G

P

F

V
x
I

D

T

S
x
T

P

D

F

M

L

T

A

D

D

K

M

L

P

D

Q

E

P

K

M

T

R

K

D

E

R

A

L

M

L

L

F

A

G

Q

T

I

P

P

I

L

G

G

R

A

L

Y

A

G

T

T

A

T

E

E

E

D

I

I

A

A

R

N

S

A

V

V

L

L

W

F

L

L

C

A

S

S

D

D

D

A

A

S

K

K

Y

Y

V

I

V

T

G

G

H

Q

S

T

M

L

S

S

V

V

D

D

G

G

V

M

active site: G16 (= G20), S142 (= S146), Q152 (≠ L156), Y155 (= Y159), K159 (= K163)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G16), S14 (≠ G18), R15 (≠ S19), G16 (= G20), I17 (= I21), N35 (≠ A39), Y36 (vs. gap), N37 (≠ D40), G38 (≠ I41), S39 (= S42), N63 (≠ D66), V64 (= V67), N90 (= N93), A91 (= A94), I93 (= I96), I113 (≠ V117), S142 (= S146), Y155 (= Y159), K159 (= K163), P185 (= P189), I188 (≠ V192), T190 (≠ S194)

Query Sequence

>PP_1946 PP_1946 Oxidoreductase, short chain dehydrogenase/reductase family
MTVNYDFSGKVVLVTGAGSGIGRATALAFAQSGASVAVADISTDHGLKTVELVKAEGGEA
TFFHVDVGSEPSVQSMLAGVVAHYGGLDIAHNNAGIEANIVPLAELDSDNWRRVIDVNLS
SVFYCLKGEIPLMLKRGGGAIVNTASASGLIGGYRLSGYTATKHGVVGLTKAAAIDYANQ
NIRINAVCPGPVDSPFLADMPQPMRDRLLFGTPIGRLATAEEIARSVLWLCSDDAKYVVG
HSMSVDGGVAVTAVGTRMDDLF

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