SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AO356_19860 FitnessBrowser__pseudo5_N2C3_1:AO356_19860 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)

7djsD Crystal structure of isopiperitenol dehydrogenase from pseudomonas aeruginosa complexed with NAD
80% identity, 98% coverage: 5:253/253 of query aligns to 3:251/251 of 7djsD

query
sites
7djsD

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binding nicotinamide-adenine-dinucleotide: G12 (= G14), G16 (= G18), I17 (= I19), D36 (= D38), L37 (= L39), C61 (= C63), D62 (≠ N64), V63 (= V65), N89 (= N91), A90 (= A92), T140 (= T142), S142 (= S144), Y155 (= Y157), K159 (= K161), A186 (= A188), V187 (= V189)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
43% identity, 98% coverage: 5:252/253 of query aligns to 3:247/248 of 6ixmC

query
sites
6ixmC

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active site: G16 (= G18), S142 (= S144), Y155 (= Y157), K159 (= K161)
binding nicotinamide-adenine-dinucleotide: G12 (= G14), S15 (≠ A17), G16 (= G18), I17 (= I19), D36 (= D38), I37 (≠ L39), A61 (≠ C63), D62 (≠ N64), T63 (≠ V65), N89 (= N91), A90 (= A92), M140 (≠ T142), S142 (= S144), Y155 (= Y157), K159 (= K161), P185 (= P187), A186 (= A188), Y187 (≠ V189), I188 (= I190), L192 (≠ M194)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
40% identity, 100% coverage: 1:252/253 of query aligns to 1:254/255 of 5itvA

query
sites
5itvA

M

M

S

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A

active site: G18 (= G18), S141 (= S144), Y154 (= Y157), K158 (= K161)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G14), S17 (≠ A17), G18 (= G18), I19 (= I19), D38 (= D38), I39 (≠ L39), T61 (≠ C63), I63 (≠ V65), N89 (= N91), G91 (= G93), T139 (= T142), S141 (= S144), Y154 (= Y157), K158 (= K161), P184 (= P187), G185 (≠ A188), I186 (≠ V189), I187 (= I190)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
38% identity, 100% coverage: 1:252/253 of query aligns to 4:252/258 of 4wecA

query
sites
4wecA

M

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active site: G21 (= G18), S143 (= S144), Q154 (≠ M154), Y157 (= Y157), K161 (= K161)
binding nicotinamide-adenine-dinucleotide: G17 (= G14), A19 (= A16), S20 (≠ A17), G21 (= G18), I22 (= I19), D41 (= D38), I42 (≠ L39), V61 (≠ C63), D62 (≠ N64), V63 (= V65), N89 (= N91), T141 (= T142), Y157 (= Y157), K161 (= K161), P187 (= P187), P189 (≠ V189), V190 (≠ I190)

4urfB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
40% identity, 99% coverage: 3:252/253 of query aligns to 1:247/248 of 4urfB

query
sites
4urfB

M

M

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L

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E

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G

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x
G

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N

G
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I

G

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C

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A

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F

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Y

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A

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F

C

N

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N
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A

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I
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I

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x
G

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A

E

Q

T

G

G

G

G

G

G

A

A

I

I

V

V

N

N

T
x
I

A

S

S
|
S

V

I

A

A

G

G

L

Q

G

I

A

G

A

I

P

E

K

G

M
x
I

S

T

I

P

Y
|
Y

A

T

A

A

S

A

K
|
K

H

H

A

G

V

V

I

V

G

G

L

L

T

T

K

K

S

T

A

V

A

A

I

W

E

E

Y

Y

A

G

R

S

K

K

K

G

I

I

R
|
R

V

I

N

N

A

S

V

V

C

G

P
|
P

A
|
A

V

F

I
|
I

D

N

T
|
T

D

T

M

L

F

V

R

Q

R

N

A

V

Y

P

E

L

A

E

D

T

P

R

K

R

K

Q

G

L

E

E

F

-

A

-

N

-

A

Q

M

M

H

H

P

A

V
x
L

G
x
R

R
|
R

I

L

G

G

K

E

V

T

E

E

E

E

I

V

A

A

S

N

A

L

V

V

L

A

Y

W

L

L

C

S

S
|
S

D

D

G

K

A

A

A

S

F

F

T

V

T

T

G

G

H

S

S

Y

L

Y

A

A

V

V

D

D

G

G

G

G

V

Y

T

L

A

A

active site: G16 (= G18), S142 (= S144), I152 (≠ M154), Y155 (= Y157), K159 (= K161)
binding 3-pyridinium-1-ylpropane-1-sulfonate: L210 (≠ V215), R211 (≠ G216), R212 (= R217)
binding bicarbonate ion: I92 (= I94), G94 (≠ I96), R109 (≠ A111), R179 (= R181), S228 (= S233)
binding nicotinamide-adenine-dinucleotide: G12 (= G14), G14 (≠ A16), N15 (≠ A17), G16 (= G18), I17 (= I19), D36 (= D38), I37 (≠ L39), D62 (≠ N64), T63 (≠ V65), N89 (= N91), A90 (= A92), G91 (= G93), I140 (≠ T142), Y155 (= Y157), K159 (= K161), P185 (= P187), A186 (= A188), I188 (= I190), T190 (= T192)

4urfA Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
40% identity, 99% coverage: 3:252/253 of query aligns to 1:247/248 of 4urfA

query
sites
4urfA

M

M

T

L

F

L

S

E

G

G

Q

K

V

T

A

A

V

L

V

V

T

T

G
|
G

G

A

A
x
G

A
x
N

G
|
G

I
|
I

G

G

C

R

A

T

T

I

A

A

Q

L

A

T

F

Y

A

A

A

A

E

E

G

G

L

A

K

N

V

V

V

V

V

V

A

S

D
|
D

L
x
I

D

S

V

D

A

E

G
x
W

G

G

E

R

R

E

T

T

V

L

Q

A

S

L

I

I

R

E

D

G

G

K

G

G

G

G

E

K

A

A

L

V

F

F

V

Q

R

H

C

A

N
x
D

V
x
T

T

A

L

H

E

P

S

E

D

D

V

H

Q

D

H

E

L

L

M

I

D

A

E

A

V

A

I

K

K

R

A

A

Y

F

G

G

R

R

L

L

D

D

Y

I

A

A

F

C

N

N

N
|
N

A
|
A

G
|
G

I
|
I

E
x
S

I
x
G

E
|
E

K

F

G
x
T

K

P

L

T

A

A

D
x
E

G

T

T
|
T

L

D

D

A

E
x
Q

F

W

D

Q

A
x
R

I

V

M

I

G

G

V

I

N

N

V

L

K

S

G

G

V

V

W

F

L

Y

C

G

M

V

K

R

Y

A

Q

Q

L

I

P

R

L

A

L

M

L

L

A

E

Q

T

G

G

G

G

G

G

A

A

I

I

V

V

N

N

T
x
I

A

S

S
|
S

V

I

A

A

G

G

L

Q

G

I

A

G

A

I

P

E

K

G

M
x
I

S

T

I

P

Y
|
Y

A

T

A

A

S

A

K
|
K

H

H

A

G

V

V

I

V

G

G

L

L

T

T

K

K

S

T

A

V

A

A

I

W

E

E

Y

Y

A

G

R
x
S

K

K

K
x
G

I

I

R

R

V

I

N

N

A

S

V

V

C

G

P
|
P

A

A

V

F

I
|
I

D

N

T
|
T

D

T

M

L

F

V

R

Q

R

N

A

V

Y

P

E

L

A

E

D

T

P

R

K

R

K

Q

G

L

E

E

F

-

A

-

N

-

A

Q

M

M

H

H

P

A

V

L

G

R

R

R

I

L

G

G

K

E

V

T

E

E

E

E

I

V

A

A

S

N

A

L

V

V

L

A

Y

W

L

L

C

S

S

S

D

D

G

K

A

A

A

S

F

F

T

V

T

T

G

G

H
x
S

S
x
Y

L

Y

A

A

V

V

D

D

G

G

G

G

V

Y

T

L

A

A

active site: G16 (= G18), S142 (= S144), I152 (≠ M154), Y155 (= Y157), K159 (= K161)
binding 3-pyridinium-1-ylpropane-1-sulfonate: I92 (= I94), S93 (≠ E95), G94 (≠ I96), E95 (= E97), T97 (≠ G99), E101 (≠ D103), T103 (= T105), Q106 (≠ E108), R109 (≠ A111), S175 (≠ R177), G177 (≠ K179)
binding magnesium ion: S237 (≠ H242), Y238 (≠ S243)
binding nicotinamide-adenine-dinucleotide: G12 (= G14), G14 (≠ A16), N15 (≠ A17), G16 (= G18), I17 (= I19), D36 (= D38), I37 (≠ L39), W41 (≠ G43), D62 (≠ N64), T63 (≠ V65), N89 (= N91), A90 (= A92), G91 (= G93), I140 (≠ T142), Y155 (= Y157), K159 (= K161), P185 (= P187), I188 (= I190), T190 (= T192)

4ureB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
40% identity, 99% coverage: 3:252/253 of query aligns to 1:247/248 of 4ureB

query
sites
4ureB

M

M

T

L

F

L

S

E

G

G

Q

K

V

T

A

A

V

L

V

V

T

T

G

G

G

A

A

G

A
x
N

G
|
G

I
|
I

G

G

C

R

A

T

T

I

A

A

Q

L

A

T

F

Y

A

A

A

A

E

E

G

G

L

A

K

N

V

V

V

V

V

V

A

S

D

D

L

I

D

S

V

D

A

E

G

W

G

G

E

R

R

E

T

T

V

L

Q

A

S

L

I

I

R

E

D

G

G

K

G

G

G

G

E

K

A

A

L

V

F

F

V

Q

R

H

C

A

N

D

V

T

T

A

L

H

E

P

S

E

D

D

V

H

Q

D

H

E

L

L

M

I

D

A

E

A

V

A

I

K

K

R

A

A

Y

F

G

G

R

R

L

L

D

D

Y

I

A

A

F

C

N

N

N
|
N

A

A

G
|
G

I

I

E

S

I

G

E

E

K

F

G

T

K

P

L

T

A

A

D

E

G

T

T

T

L

D

D

A

E

Q

F

W

D

Q

A

R

I

V

M

I

G

G

V

I

N

N

V

L

K

S

G

G

V

V

W

F

L

Y

C

G

M

V

K

R

Y

A

Q

Q

L

I

P

R

L

A

L

M

L

L

A

E

Q

T

G

G

G

G

G

G

A

A

I

I

V

V

N

N

T

I

A

S

S
|
S

V

I

A

A

G

G

L

Q

G

I

A

G

A

I

P

E

K

G

M
x
I

S

T

I

P

Y
|
Y

A

T

A

A

S

A

K
|
K

H

H

A

G

V

V

I

V

G

G

L

L

T

T

K

K

S

T

A

V

A

A

I

W

E

E

Y

Y

A

G

R

S

K

K

K

G

I

I

R

R

V

I

N

N

A

S

V

V

C

G

P
|
P

A
|
A

V

F

I

I

D

N

T

T

D

T

M

L

F

V

R

Q

R

N

A

V

Y

P

E

L

A

E

D

T

P

R

K

R

K

Q

G

L

E

E

F

-

A

-

N

-

A

Q

M

M

H

H

P

A

V

L

G

R

R

R

I

L

G

G

K

E

V

T

E

E

E

E

I

V

A

A

S

N

A

L

V

V

L

A

Y

W

L

L

C

S

S

S

D

D

G

K

A

A

A

S

F

F

T

V

T

T

G

G

H

S

S

Y

L

Y

A

A

V

V

D

D

G

G

G

G

V

Y

T

L

A

A

active site: G16 (= G18), S142 (= S144), I152 (≠ M154), Y155 (= Y157), K159 (= K161)
binding 3-pyridinium-1-ylpropane-1-sulfonate: N15 (≠ A17), G16 (= G18), I17 (= I19), N89 (= N91), G91 (= G93), Y155 (= Y157), P185 (= P187), A186 (= A188)

5itvD Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
39% identity, 100% coverage: 1:252/253 of query aligns to 1:226/227 of 5itvD

query
sites
5itvD

M

M

S

I

M

M

T

N

F

L

S

T

G

D

Q

K

V

T

A

V

V

L

V

I

T

T

G
|
G

G

G

A

A

A
x
S

G
|
G

I
|
I

G

G

C

Y

A

A

T

A

A

V

Q

Q

A

A

F

F

A

L

A

G

E

Q

G

Q

L

A

K

N

V

V

V

V

V

V

A

A

D
|
D

L
x
I

D

D

V

E

A

A

G

Q

G

G

E

E

R

A

T

M

V

V

Q

R

S

-

I

-

R

K

D

E

G

N

G

N

G

D

E

R

A

L

L

H

F

F

V

V

R

Q

C
x
T

N
x
D

V
x
I

T

T

L

D

E

E

S

A

D

A

V

C

Q

Q

H

H

L

A

M

V

D

E

E

S

V

A

I

V

K

H

A

T

Y

F

G

G

R

G

L

L

D

D

Y

V

A

L

F

I

N

N

N
|
N

A

A

G

G

I

I

E

E

I

I

E

-

K

V

G

A

K

P

L

I

A

H

D

E

G

M

T

E

L

L

D

S

E

D

F

W

D

N

A

K

I

V

M

L

G

Q

V

V

N

N

V

L

K

T

G

G

V

M

W

F

L

L

C

M

M

S

K

K

Y

H

Q

A

L

L

P

K

L

H

L

M

L

L

A

A

Q

A

G

G

G

K

G

G

A

N

I

I

V

I

N

N

T
|
T

A

C

S
|
S

V

V

A

G

G

G

L

L

G

V

A

A

A

W

P

P

K

D

M

I

S

P

I

A

Y
|
Y

A

N

A

A

S

S

K
|
K

H

G

A

G

V

V

I

L

G

Q

L

L

T

T

K

K

S

S

A

M

A

A

I

V

E

D

Y

Y

A

A

R

K

K

H

K

Q

I

I

R

R

V

V

N

N

A

C

V

V

C

C

P
|
P

A
x
G

V

I

I
|
I

D

D

T

T

D

-

M

-

F

-

R

-

R

-

A

-

Y

-

E

-

A

-

D

-

P

-

K

-

K

-

G

-

E

-

F

-

A

-

N

-

A

-

M

-

H

-

P

-

V

-

G

L

R

R

I

L

G

G

K

K

V

P

E

E

E

E

I

I

A

A

S

N

A

V

V

M

L

L

Y

F

L

L

C

A

S

S

D

D

G

L

A

S

A

S

F

Y

T

M

T

T

G

G

H

S

S

A

L

I

A

T

V

A

D

D

G

G

G

G

V

Y

T

T

A

A

active site: G18 (= G18), S141 (= S144), Y154 (= Y157), K158 (= K161)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G14), S17 (≠ A17), G18 (= G18), I19 (= I19), D38 (= D38), I39 (≠ L39), T61 (≠ C63), D62 (≠ N64), I63 (≠ V65), N89 (= N91), T139 (= T142), S141 (= S144), Y154 (= Y157), K158 (= K161), P184 (= P187), G185 (≠ A188), I187 (= I190)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
40% identity, 96% coverage: 8:250/253 of query aligns to 8:242/244 of 4nbuB

query
sites
4nbuB

Q

K

V

V

A

A

V

I

V

I

T

T

G
|
G

G

A

A

A

A
x
N

G
|
G

I
|
I

G

G

C

L

A

E

T

A

A

A

Q

R

A

V

F

F

A

M

A

K

E

E

G

G

L

A

K

K

V

V

V

V

V

I

A

A

D
|
D

L
x
F

D

N

V

E

A

A

G

A

G

G

E

K

R

E

T

A

V

V

Q

E

S

A

I

-

R

-

D

-

G

-

G

N

G

P

E

G

A

V

L

V

F

F

V

I

R

R

C
x
V

N
x
D

V
|
V

T

S

L

D

E

R

S

E

D

S

V

V

Q

H

H

R

L

L

M

V

D

E

E

N

V

V

I

A

K

E

A

R

Y

F

G

G

R

K

L

I

D

D

Y

I

A

L

F

I

N

N

N
|
N

A
|
A

G
|
G

I
|
I

E

-

I

T

E

R

K
x
D

G

S

K

M

L

L

A

S

D
x
K

G

M

T

T

L

V

D

D

E

Q

F

F

D

Q

A

Q

I

V

M

I

G

N

V

V

N
|
N

V

L

K

T

G

G

V

V

W

F

L

H

C

C

M

T

K

Q

Y

A

Q

V

L

L

P

P

L

Y

L

M

L

A

A

E

Q

Q

G

G

G

K

G

G

A

K

I

I

V

I

N

N

T
|
T

A

S

S
|
S

V

V

A

T

G

G

L

T

G

Y

A

G

A
x
N

P
x
V

K

G

M
x
Q

S

T

I

N

Y
|
Y

A

A

A

A

S

A

K
|
K

H

A

A

G

V

V

I

I

G

G

L

M

T

T

K

K

S

T

A

W

A

A

I

K

E

E

Y

L

A

A

R

R

K

K

K

G

I

I

R

N

V

V

N

N

A

A

V

V

C

A

P
|
P

A

G

V
x
F

I
x
T

D

E

T
|
T

D

A

M
|
M

F

-

R

-

R

-

A

V

Y

A

E

E

A

V

D

P

P

E

K

K

K

V

G

I

E

E

F
x
K

A

M

N

K

A

A

M

Q

H

V

P

P

V

M

G

G

R

R

I

L

G

G

K

K

V

P

E

E

E

D

I

I

A

A

S

N

A

A

V

Y

L

L

Y

F

L

L

C

A

S

S

D

H

G

E

A

S

A

D

F

Y

T

V

T

N

G

G

H

H

S

V

L

L

A

H

V

V

D

D

G

G

G

G

V

I

active site: G18 (= G18), N111 (= N116), S139 (= S144), Q149 (≠ M154), Y152 (= Y157), K156 (= K161)
binding acetoacetyl-coenzyme a: D93 (≠ K98), K98 (≠ D103), S139 (= S144), N146 (≠ A151), V147 (≠ P152), Q149 (≠ M154), Y152 (= Y157), F184 (≠ V189), M189 (= M194), K200 (≠ F208)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G14), N17 (≠ A17), G18 (= G18), I19 (= I19), D38 (= D38), F39 (≠ L39), V59 (≠ C63), D60 (≠ N64), V61 (= V65), N87 (= N91), A88 (= A92), G89 (= G93), I90 (= I94), T137 (= T142), S139 (= S144), Y152 (= Y157), K156 (= K161), P182 (= P187), F184 (≠ V189), T185 (≠ I190), T187 (= T192), M189 (= M194)

4qecA Elxo with NADP bound (see paper)
34% identity, 94% coverage: 11:249/253 of query aligns to 6:244/248 of 4qecA

query
sites
4qecA

V

L

V

I

T

T

G

G

G

G

A

F

A
x
K

G
|
G

I
|
I

G

G

C

K

A

Q

T

V

A

A

Q

L

A

E

F

F

A

L

A

K

E

N

G

D

L

Y

K

H

V

V

V

C

V

I

A

T

D
x
S

L
x
R

D

Y

V

F

A

E

G
x
K

G

E

E

K

R

R

T

I

V

P

Q

H

S

L

I

F

R

S

D

S

G

Y

G

E

G

E

E

N

A

I

L

S

F

F

V

Y

R

Q

C

L

N
x
D

V
|
V

T

T

L

D

E

E

S

E

D

Q

V

V

Q

N

H

E

L

I

M

I

D

N

E

K

V

I

I

V

K

K

A

K

Y

F

G

G

R

R

L

L

D

D

Y

V

A

L

F

V

N

N

N
|
N

A
|
A

G
|
G

I

I

E

S

I

L

E

S

K

D

G

G

K

L

L

L

A

T

D

E

G

T

T

K

L

T

D

T

E

D

F

F

D

N

A

K

I

M

M

I

G

N

V

T

N
|
N

V

I

K

L

G

G

V

T

W

Y

L

F

C

C

M

M

K

K

Y

Y

Q

A

L

L

P

K

L

H

L

M

L

Q

A

K

Q

V

G

S

G

C

G

G

A

A

I

I

V

V

N

N

T
x
I

A

S

S
|
S

V

I

A

T

G

G

L

L

G

S

A

G

A

F

P

P

K

Y

M

S

S

I

I

L

Y
|
Y

A

G

A

S

S

T

K
|
K

H

H

A

A

V

V

I

I

G

G

L

L

T

T

K

K

S

G

A

A

A

A

I

V

E

E

Y

F

A

A

R

D

K

K

K

G

I

I

R

K

V

I

N

N

A

A

V

V

C

A

P
|
P

A

G

V

I

I
|
I

D

K

T

T

D

E

M

T

F

L

R

Q

R

K

A

E

Y

I

E

D

A

S

D

-

P

-

K

-

K

-

G

G

E

E

F

F

A

S

-

E

-

D

-

S

-

I

N

S

A

S

M

I

H

H

P

P

V

M

G

Q

R

K

I

L

G

G

K

T

V

T

E

L

E

D

I

V

A

A

S

K

A

G

V

I

L

Y

Y

F

L

L

C

A

S

N

D

E

G

D

A

N

A

N

F

F

T

I

T

T

G

G

H

H

S

V

L

L

A

S

V

I

D

D

G

G

G

G

active site: G13 (= G18), N111 (= N116), S139 (= S144), Y152 (= Y157), K156 (= K161)
binding nadp nicotinamide-adenine-dinucleotide phosphate: K12 (≠ A17), G13 (= G18), I14 (= I19), S33 (≠ D38), R34 (≠ L39), K38 (≠ G43), D59 (≠ N64), V60 (= V65), N86 (= N91), A87 (= A92), G88 (= G93), I137 (≠ T142), Y152 (= Y157), K156 (= K161), P182 (= P187), I185 (= I190)

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
38% identity, 98% coverage: 2:250/253 of query aligns to 3:245/247 of 7tzpG

query
sites
7tzpG

S

A

M

M

T

K

F

L

S

A

G

S

Q

K

V

T

A

A

V

I

V

V

T

T

G
|
G

G

A

A

A

A
x
R

G
|
G

I
|
I

G

G

C

F

A

G

T

I

A

A

Q

Q

A

V

F

L

A

A

A

R

E

E

G

G

L

A

K

R

V

V

V

I

V

I

A

A

D
|
D

L
x
R

D

D

V

-

A

A

G

H

G

G

E

E

R

A

T

A

V

A

Q

A

S

S

I

L

R

R

D

E

G

S

G

G

G

A

E

Q

A

A

L

L

F

F

V

I

R

S

C
|
C

N

N

V
x
I

T

A

L

E

E

K

S

T

D

Q

V

V

Q

E

H

A

L

L

M

F

D

S

E

Q

V

A

I

E

K

E

A

A

Y

F

G

G

R

P

L

V

D

D

Y

I

A

L

F

V

N

N

N
|
N

A

A

G
|
G

I
|
I

E

N

I

-

E

R

K

D

G

A

K

M

L

L

A

H

D

K

G

L

T

T

L

E

D

A

E

D

F

W

D

D

A

T

I

V

M

I

G

D

V
|
V

N

N

V

L

K

K

G

G

V

T

W

F

L

L

C

C

M

M

K

Q

Y

Q

Q

A

L

A

P

I

L

R

L

M

L

R

A

E

Q

R

G

G

G

A

G

G

A

R

I

I

V

I

N

N

T

I

A

A

S

S

V

A

A

S

G

W

L

L

G

G

A

N

A

V

P

G

K

Q

M

T

S

N

I

-

Y
|
Y

A

S

A

A

S

S

K
|
K

H

A

A

G

V

V

I

V

G

G

L

M

T

T

K

K

S

T

A

A

A

C

I

R

E

E

Y

L

A

A

R

K

K

K

K

G

I

V

R

T

V

V

N

N

A

A

V

I

C

C

P

P

A

G

V

F

I
|
I

D

D

T
|
T

D

D

M

M

F
x
T

R

R

R

G

A

V

Y

P

E

E

A

-

D

-

P

-

K

N

K

V

G

W

E

Q

F

I

A

M

N

V

A

S

M

K

H

I

P

P

V

A

G

G

R

Y

I

A

G

G

K

E

V

A

E

K

E

D

I

V

A

G

S

E

A

C

V

V

L

A

Y

F

L

L

C

A

S

S

D

D

G

G

A

A

A

R

F

Y

T

I

T

N

G

G

H

E

S

V

L

I

A

N

V

V

D

G

G

G

G

G

V

M

binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G14), R18 (≠ A17), G19 (= G18), I20 (= I19), D39 (= D38), R40 (≠ L39), C63 (= C63), I65 (≠ V65), N91 (= N91), G93 (= G93), I94 (= I94), V114 (= V115), Y155 (= Y157), K159 (= K161), I188 (= I190), T190 (= T192), T193 (≠ F195)

Q9LBG2 Levodione reductase; (6R)-2,2,6-trimethyl-1,4-cyclohexanedione reductase; EC 1.1.1.- from Leifsonia aquatica (Corynebacterium aquaticum) (see paper)
36% identity, 98% coverage: 5:252/253 of query aligns to 11:265/267 of Q9LBG2

query
sites
Q9LBG2

F

F

S

T

G

D

Q

R

V

V

A

V

V
x
L

V
x
I

T
|
T

G
|
G

G
|
G

A
x
G

A
x
S

G
|
G

I
x
L

G
|
G

C
x
R

A
|
A

T
|
T

A
|
A

Q
x
V

A
x
R

F
x
L

A
|
A

A
|
A

E
|
E

G
|
G

L
x
A

K
|
K

V
x
L

V
x
S

V
x
L

A

V

D

D

L

V

D

S

V

S

A

E

G

G

G

L

E

E

R

A

T

S

V

K

Q

A

S

A

I

V

R

L

D

E

G

T

G

A

-

P

-

D

G

A

E

E

A

V

L

L

F

T

V

T

R

V

C

A

N

D

V

V

T

S

L

D

E

E

S

A

D

Q

V

V

Q

E

H

A

L

Y

M

V

D

T

E

A

V

T

I

T

K

E

A

R

Y

F

G

G

R

R

L

I

D

D

Y

G

A

F

F

F

N

N

N

N

A

A

G

G

I

I

E
|
E

I

G

E

K

K

Q

G

N

K

P

L

T

A

E

D

S

G

F

T

T

L

A

D

A

E

E

F

F

D

D

A

K

I

V

M

V

G

S

V

I

N

N

V

L

K

R

G

G

V

V

W

F

L

L

C

G

M

L

K

E

Y

K

Q

V

L

L

P

K

L

I

L

M

L

R

A

E

Q

Q

G

G

G

S

G

G

A

M

I

V

V

V

N

N

T

T

A

A

S

S

V

V

A

G

G

G

L

I

G

R

A

G

A

I

P

G

K

N

M

Q

S

S

I

G

Y

Y

A

A

A

A

S

A

K

K

H

H

A

G

V

V

I

V

G

G

L

L

T

T

K

R

S

N

A

S

A

A

I

V

E

E

Y

Y

A

G

R

R

K

Y

K

G

I

I

R

R

V

I

N

N

A

A

V

I

C

A

P

P

A

G

V

A

I

I

D

W

T

T

D

P

M

M

F

V

R

E

R

N

A

S

Y

M

E

K

A

Q

-

L

-

D

-

P

-

E

D

N

P

P

K

R

K

K

G

A

-

A

-

E

E

E

F

F

A

I

N

Q

A

-

M

V

H

N

P

P

V

S

G

K

R

R

I

Y

G

G

K

E

V

A

E

P

E

E

I

I

A

A

S

A

A

V

V

V

L

A

Y

F

L

L

C

L

S

S

D

D

G

D

A

A

A

S

F

Y

T

V

T

N

G

A

H

T

S

V

L

V

A

P

V

I

D

D

G

G

G

G

V

Q

T

S

A

A

17:42 (vs. 11:36, 50% identical) binding
E103 (= E95) mutation E->A,D,N,Q: 26-fold increase in Km and a much lower enantiomeric excess of the reaction products.

2dtxA Structure of thermoplasma acidophilum aldohexose dehydrogenase (aldt) in complex with d-mannose (see paper)
41% identity, 96% coverage: 8:251/253 of query aligns to 8:246/255 of 2dtxA

query
sites
2dtxA

Q

K

V

V

A

V

V

I

V

V

T

T

G

G

G

A

A

S

A

M

G
|
G

I

I

G

G

C

R

A

A

T

I

A

A

Q

E

A

R

F

F

A

V

A

D

E

E

G

G

L

S

K

K

V

V

V

I

V

-

A

-

D

D

L

L

D

-

V

-

A

-

G

-

G

-

E

-

R

-

T

-

V

-

Q

-

S

S

I

I

R

H

D

D

G

P

G

G

G

-

E

E

A

A

L

K

F

Y

-

D

-

H

V

I

R

E

C

C

N

D

V

V

T

T

L

N

E

P

S

D

D

Q

V

V

Q

K

H

A

L

S

M

I

D

D

E

H

V

I

I

F

K

K

A

E

Y

Y

G

G

R

S

L

I

D

S

Y

V

A

L

F

V

N

N

N

N

A

A

G

G

I

I

E

E

I

-

E

S

K

Y

G

G

K

K

L

I

A

E

D

S

G

M

T

S

L

M

D

G

E

E

F

W

D

R

A

R

I

I

M

I

G

D

V

V

N

N

V

L

K

F

G

G

V

Y

W

Y

L

Y

C

A

M

S

K

K

Y

F

Q

A

L

I

P

P

L

Y

L

M

L

I

A

R

Q

S

G

R

G

D

G

P

A

S

I

I

V

V

N

N

T

I

A

S

S
|
S

V
|
V

A
x
Q

G

A

L

S

G

I

A

I

A

T

P

K

K

N

M

A

S

S

I

A

Y
|
Y

A

V

A

T

S
|
S

K
|
K

H

H

A

A

V

V

I

I

G

G

L

L

T

T

K

K

S

S

A

I

A

A

I

L

E

D

Y

Y

A

A

R

-

K

P

K

L

I

L

R

R

V

C

N

N

A

A

V

V

C

C

P

P

A
|
A

V
x
T

I

I

D

D

T

T

D

P

M

L

F

V

R

R

R

K

A

A

Y

A

E

E

-

L

-

E

-

V

-

G

A

S

D

D

P

P

-

M

-

R

-

I

-

E

K

K

K

K

G

I

E

S

F

E

A

W

N

G

A

H

M

E

H

H

P

P

V

M

G

Q

R

R

I

I

G

G

K

K

V

P

E

Q

E

E

I

V

A

A

S

S

A

A

V

V

L

A

Y

F

L

L

C

A

S

S

D

R

G

E

A

A

A

S

F

F

T

I

T

T

G

G

H

T

S

C

L

L

A

Y

V

V

D

D

G

G

G

G

V

L

T

S

active site: G18 (= G18), S132 (= S144), Y145 (= Y157), S148 (= S160), K149 (= K161)
binding beta-D-mannopyranose: V133 (= V145), Q134 (≠ A146), Y145 (= Y157), A175 (= A188), T176 (≠ V189)

2dteA Structure of thermoplasma acidophilum aldohexose dehydrogenase (aldt) in complex with nadh (see paper)
41% identity, 96% coverage: 8:251/253 of query aligns to 8:246/255 of 2dteA

query
sites
2dteA

Q

K

V

V

A

V

V

I

V

V

T

T

G
|
G

G

A

A
x
S

A
x
M

G
|
G

I
|
I

G

G

C

R

A

A

T

I

A

A

Q

E

A

R

F

F

A

V

A

D

E

E

G

G

L

S

K

K

V

V

V

I

V

-

A

-

D

D

L

L

D

-

V

-

A

-

G

-

G

-

E

-

R

-

T

-

V

-

Q

-

S
|
S

I
|
I

R

H

D

D

G

P

G

G

G

-

E

E

A

A

L

K

F

Y

-

D

-

H

V

I

R

E

C
|
C

N
x
D

V
|
V

T

T

L

N

E

P

S

D

D

Q

V

V

Q

K

H

A

L

S

M

I

D

D

E

H

V

I

I

F

K

K

A

E

Y

Y

G

G

R

S

L

I

D

S

Y

V

A

L

F

V

N

N

N
|
N

A
|
A

G

G

I

I

E

E

I

-

E

S

K

Y

G

G

K

K

L

I

A

E

D

S

G

M

T

S

L

M

D

G

E

E

F

W

D

R

A

R

I

I

M

I

G

D

V

V

N

N

V

L

K

F

G

G

V

Y

W

Y

L

Y

C

A

M

S

K

K

Y

F

Q

A

L

I

P

P

L

Y

L

M

L

I

A

R

Q

S

G

R

G

D

G

P

A

S

I

I

V

V

N

N

T
x
I

A

S

S
|
S

V

V

A

Q

G

A

L

S

G

I

A

I

A

T

P

K

K

N

M

A

S

S

I

A

Y
|
Y

A

V

A

T

S
|
S

K
|
K

H

H

A

A

V

V

I

I

G

G

L

L

T

T

K

K

S

S

A

I

A

A

I

L

E

D

Y

Y

A

A

R

-

K

P

K

L

I

L

R

R

V

C

N

N

A

A

V

V

C

C

P
|
P

A
|
A

V
x
T

I
|
I

D

D

T
|
T

D
x
P

M
x
L

F
x
V

R

R

R

K

A

A

Y

A

E

E

-

L

-

E

-

V

-

G

A

S

D

D

P

P

-

M

-

R

-

I

-

E

K

K

K

K

G

I

E

S

F

E

A

W

N

G

A

H

M

E

H

H

P

P

V

M

G

Q

R

R

I

I

G

G

K

K

V

P

E

Q

E

E

I

V

A

A

S

S

A

A

V

V

L

A

Y

F

L

L

C

A

S

S

D

R

G

E

A

A

A

S

F

F

T

I

T

T

G

G

H

T

S

C

L

L

A

Y

V

V

D

D

G

G

G

G

V

L

T

S

active site: G18 (= G18), S132 (= S144), Y145 (= Y157), S148 (= S160), K149 (= K161)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G14), S16 (≠ A16), M17 (≠ A17), G18 (= G18), I19 (= I19), S38 (= S50), I39 (= I51), C52 (= C63), D53 (≠ N64), V54 (= V65), N80 (= N91), A81 (= A92), I130 (≠ T142), S132 (= S144), Y145 (= Y157), K149 (= K161), P174 (= P187), A175 (= A188), T176 (≠ V189), I177 (= I190), T179 (= T192), P180 (≠ D193), L181 (≠ M194), V182 (≠ F195)

1iy8A Crystal structure of levodione reductase (see paper)
36% identity, 98% coverage: 5:252/253 of query aligns to 2:256/258 of 1iy8A

query
sites
1iy8A

F

F

S

T

G

D

Q

R

V

V

A

V

V

L

V

I

T

T

G
|
G

G

G

A

G

A
x
S

G
|
G

I
x
L

G

G

C

R

A

A

T

T

A

A

Q

V

A

R

F

L

A

A

A

A

E

E

G

G

L

A

K

K

V

L

V

S

V

L

A

V

D
|
D

L
x
V

D

S

V

S

A

E

G

G

G

L

E

E

R

A

T

S

V

K

Q

A

S

A

I

V

R

L

D

E

G

T

G

A

-

P

-

D

G

A

E

E

A

V

L

L

F

T

V

T

R

V

C
x
A

N
x
D

V
|
V

T

S

L

D

E

E

S

A

D

Q

V

V

Q

E

H

A

L

Y

M

V

D

T

E

A

V

T

I

T

K

E

A

R

Y

F

G

G

R

R

L

I

D

D

Y

G

A

F

F

F

N

N

N
|
N

A

A

G
|
G

I
|
I

E

E

I

G

E

K

K

Q

G

N

K

P

L

T

A

E

D

S

G

F

T

T

L

A

D

A

E

E

F

F

D

D

A

K

I

V

M

V

G

S

V

I

N

N

V

L

K

R

G

G

V

V

W

F

L

L

C

G

M

L

K

E

Y

K

Q

V

L

L

P

K

L

I

L

M

L

R

A

E

Q

Q

G

G

G

S

G

G

A

M

I

V

V

V

N

N

T
|
T

A

A

S
|
S

V

V

A

G

G

G

L

I

G

R

A

G

A

I

P

G

K

N

M
x
Q

S

S

I

G

Y
|
Y

A

A

A

A

S

A

K
|
K

H

H

A

G

V

V

I

V

G

G

L

L

T

T

K

R

S

N

A

S

A

A

I

V

E

E

Y

Y

A

G

R

R

K

Y

K

G

I

I

R

R

V

I

N

N

A

A

V

I

C

A

P
|
P

A
x
G

V

A

I

I

D

W

T
|
T

D
x
P

M
|
M

F

V

R

E

R

N

A

S

Y

M

E

K

A

Q

-

L

-

D

-

P

-

E

D

N

P

P

K

R

K

K

G

A

-

A

-

E

E

E

F

F

A

I

N

Q

A

-

M

V

H

N

P

P

V

S

G

K

R

R

I

Y

G

G

K

E

V

A

E

P

E

E

I

I

A

A

S

A

A

V

V

V

L

A

Y

F

L

L

C

L

S

S

D

D

G

D

A

A

A

S

F

Y

T

V

T

N

G

A

H

T

S

V

L

V

A

P

V

I

D

D

G

G

G

G

V

Q

T

S

A

A

active site: G15 (= G18), S143 (= S144), Q153 (≠ M154), Y156 (= Y157), K160 (= K161)
binding nicotinamide-adenine-dinucleotide: G11 (= G14), S14 (≠ A17), G15 (= G18), L16 (≠ I19), D35 (= D38), V36 (≠ L39), A62 (≠ C63), D63 (≠ N64), V64 (= V65), N90 (= N91), G92 (= G93), I93 (= I94), T141 (= T142), S143 (= S144), Y156 (= Y157), K160 (= K161), P186 (= P187), G187 (≠ A188), T191 (= T192), P192 (≠ D193), M193 (= M194)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
40% identity, 98% coverage: 3:250/253 of query aligns to 1:245/247 of 4jroC

query
sites
4jroC

M

M

T

T

F

L

S

Q

G

G

Q

K

V

V

A

A

V

V

V

V

T

T

G
|
G

G

G

A
x
S

A
x
R

G
|
G

I
|
I

G

G

C

R

A

D

T

I

A

A

Q

I

A

N

F

L

A

A

A

K

E

E

G

G

L

A

K

N

V

I

V

F

V

F

A
x
N

-
x
Y

D
x
N

L
x
G

D
x
S

V

P

A

E

G

A

G

A

E

E

R

E

T

T

V

A

Q

K

S

L

I

V

R

A

D

E

G

H

G

G

G

V

E

E

A

V

L

E

F

A

V

M

R

K

C

A

N
|
N

V
|
V

T

A

L

I

E

A

S

E

D

D

V

V

Q

D

H

A

L

F

M

F

D

K

E

Q

V

A

I

I

K

E

A

R

Y

F

G

G

R

R

L

V

D

D

Y

I

A

L

F

V

N

N

N
|
N

A
|
A

G

G

I
|
I

E

-

I

T

E

R

K

D

G

N

K

L

L

L

A

M

D

R

G

M

T

K

L

E

D

D

E

E

F

W

D

D

A

D

I

V

M

I

G

N

V
x
I

N

N

V

L

K

K

G

G

V

T

W

F

L

L

C

C

M

T

K

K

Y

A

Q

V

L

S

P

R

L

T

L

M

L

M

A

K

Q

Q

G

R

G

A

G

G

A

K

I

I

V

I

N

N

T

M

A

A

S
|
S

V

V

A

V

G

G

L

L

G

I

A

G

A

N

P

A

K

G

M
x
Q

S

A

I

N

Y
|
Y

A

V

A

A

S

S

K
|
K

H

A

A

G

V

V

I

I

G

G

L

L

T

T

K

K

S

T

A

T

A

A

I

R

E

E

Y

L

A

A

R

P

K

R

K

G

I

I

R

N

V

V

N

N

A

A

V

V

C

A

P
|
P

A

G

V

F

I
|
I

D

T

T
|
T

D

D

M

M

F

T

R

D

R

K

A

-

Y

-

E

-

A

L

D

D

P

E

K

K

K

T

G

K

E

E

F

A

A

M

N

L

A

A

M

Q

H

I

P

P

V

L

G

G

R

A

I

Y

G

G

K

T

V

T

E

E

E

D

I

I

A

A

S

N

A

A

V

V

L

L

Y

F

L

L

C

A

S

S

D

D

G

A

A

S

A

K

F

Y

T

I

T

T

G

G

H

Q

S

T

L

L

A

S

V

V

D

D

G

G

G

G

V

M

active site: G16 (= G18), S142 (= S144), Q152 (≠ M154), Y155 (= Y157), K159 (= K161)