SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_008507129.1 NCBI__GCF_000182725.1:WP_008507129.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
42% identity, 96% coverage: 8:253/257 of query aligns to 2:249/258 of 4wecA

query
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active site: G21 (= G27), S143 (= S150), Q154 (≠ H160), Y157 (= Y163), K161 (= K167)
binding nicotinamide-adenine-dinucleotide: G17 (= G23), A19 (= A25), S20 (= S26), G21 (= G27), I22 (= I28), D41 (= D47), I42 (= I48), V61 (≠ C69), D62 (= D70), V63 (= V71), N89 (≠ S97), T141 (≠ L148), Y157 (= Y163), K161 (= K167), P187 (= P193), P189 (≠ I195), V190 (= V196)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
41% identity, 93% coverage: 14:253/257 of query aligns to 5:241/244 of 4nbuB

query
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active site: G18 (= G27), N111 (= N121), S139 (= S150), Q149 (≠ H160), Y152 (= Y163), K156 (= K167)
binding acetoacetyl-coenzyme a: D93 (≠ L103), K98 (≠ D108), S139 (= S150), N146 (≠ I157), V147 (≠ E158), Q149 (≠ H160), Y152 (= Y163), F184 (≠ L197), M189 (≠ K202), K200 (≠ A212)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G23), N17 (≠ S26), G18 (= G27), I19 (= I28), D38 (= D47), F39 (≠ I48), V59 (vs. gap), D60 (= D70), V61 (= V71), N87 (≠ S97), A88 (= A98), G89 (= G99), I90 (≠ V100), T137 (≠ L148), S139 (= S150), Y152 (= Y163), K156 (= K167), P182 (= P193), F184 (≠ L197), T185 (= T198), T187 (≠ L200), M189 (≠ K202)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
36% identity, 94% coverage: 14:255/257 of query aligns to 5:253/255 of 5itvA

query
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active site: G18 (= G27), S141 (= S150), Y154 (= Y163), K158 (= K167)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G23), S17 (= S26), G18 (= G27), I19 (= I28), D38 (= D47), I39 (= I48), T61 (≠ C69), I63 (≠ V71), N89 (≠ S97), G91 (= G99), T139 (≠ L148), S141 (= S150), Y154 (= Y163), K158 (= K167), P184 (= P193), G185 (≠ T194), I186 (= I195), I187 (≠ V196)

6pejA Structure of sorbitol dehydrogenase from sinorhizobium meliloti 1021 bound to sorbitol
37% identity, 93% coverage: 14:253/257 of query aligns to 4:253/257 of 6pejA

query
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active site: G17 (= G27), S140 (= S150), Y153 (= Y163)
binding sorbitol: Q141 (= Q151), E147 (≠ I157), H190 (vs. gap), W191 (vs. gap), F198 (≠ T198)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
36% identity, 95% coverage: 12:255/257 of query aligns to 2:250/252 of 1vl8B

query
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1vl8B

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L

A

R

A

E

G

S

N

D

G

N

G

P

K

S

I

I

I

I

N

N

L
x
I

A

-

S

-

Q

-

A

-

G

G

T
x
S

V

L

A

T

I

V

E

E

E

E

H

V

V

T

-

M

-

P

-

N

-
x
I

-

S

A

A

Y
|
Y

C

A

A

A

S

S

K
|
K

F

G

G

G

V

V

I

A

G

S

M

L

S

T

K

K

T

A

F

L

A

A

A

K

E

E

W

W

G

G

K

R

H

Y

G

G

I

I

C

R

V

V

N

N

T

V

L

I

S

A

P
|
P

T
x
G

I

W

V
x
Y

L

R

T
|
T

E

K

L
x
M

G
x
T

K

E

K

A

A

V

W

F

A

S

G

D

-

P

E

E

K

K

G

L

E

D

A

Y

A

M

K

L

K

K

R

R

I

I

P

P

A

L

G

G

R

R

F

T

A

G

Y

V

P

P

E

E

E

D

I

L

A

K

A

G

A

V

A

A

V

V

F

F

L

L

A

A

S

S

A

E

G

E

A

A

D

K

M

Y

I

V

T

T

G

G

A

Q

D

I

L

I

L

F

I

V

D

D

G

G

G

G

Y

W

T

T

active site: G17 (= G27), S143 (≠ T154), I154 (vs. gap), Y157 (= Y163), K161 (= K167)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G23), R16 (≠ S26), G17 (= G27), L18 (≠ I28), S37 (vs. gap), R38 (vs. gap), C63 (= C69), D64 (= D70), V65 (= V71), A91 (≠ S97), A92 (= A98), G93 (= G99), I94 (≠ V100), V114 (≠ I120), I141 (≠ L148), S143 (≠ T154), Y157 (= Y163), K161 (= K167), P187 (= P193), G188 (≠ T194), Y190 (≠ V196), T192 (= T198), M194 (≠ L200), T195 (≠ G201)

6zyzA Structure of the borneol dehydrogenases of salvia rosmarinus with NAD+ (see paper)
36% identity, 95% coverage: 14:257/257 of query aligns to 3:249/259 of 6zyzA

query
sites
6zyzA

L

L

S

E

E

G

K

K

V

V

A

A

I

I

V

V

T

T

G
|
G

G

G

A

A

S
|
S

G
|
G

I
|
I

G

G

A

A

A

S

I

T

S

V

K

R

A

L

F

F

I

H

A

D

K

H

G

G

A

A

K

K

V

V

A

V

V

I

L

A

D
|
D

I
|
I

S
x
Q

A

D

D

D

I

L

A

G

K

Q

A

T

K

L

A

A

E

D

E

R

L

L

G

G

E

R

N

N

A

I

K

S

P

Y

F

T

V

H

C
|
C

D
|
D

V
|
V

S

T

S

D

Q

E

Q

D

S

Q

V

V

N

R

D

A

A

L

I

V

T

D

A

A

V

A

I

V

T

A

Q

K

F

H

G

G

K

G

I

V

D

D

I

I

A

M

V

F

N

S

S
x
N

A
|
A

G

G

V

I

V
|
V

Y

E

L

-

A

G

P
|
P

A
x
N

E
x
S

-

I

-

F

D
|
D

I

V

S

D

L

K

D

D

Y

E

W

L

D

E

K

R

T

L

I

M

N

G

I
|
I

N

N

L

L

K

V

G

G

S

A

F

F

L

L

V

A

T

A

Q

K

A

H

V

A

G

A

R

R

A

V

M

M

I

V

A

P

A

A

G

K

N

K

G

G

G

C

K

I

I

I

I

F

N
x
T

L

A

A

S

S

A

Q

C

A

T

G

E

T

I

V

A

A

G

I

I

E

A

E

G

H

H

V

-

A

S

Y
|
Y

C

T

A

A

S

S

K
|
K

F

Y

G

G

V

I

I

V

G

G

M

L

S

M

K

K

T

S

F

L

A

A

A

V

E

E

W

L

G

G

K

S

H

H

G

G

I

I

C

R

V

A

N

N

T

C

L

V

S

S

P

P

T

F

I

G

V
|
V

L

L

T

T

-

G

-

I

-

V

-

P

-

D

-

D

E

E

L

A

G

S

K

K

K

L

A

M

W

F

A

E

G

G

E

I

K

M

G

S

E

K

A

V

A

G

K

N

K

L

R

K

I

-

P

-

A

-

G

G

R

K

F

I

A

L

Y

T

P

A

E

E

E

D

I

V

A

A

A

V

A

T

A

V

V

L

F

Y

L

L

A

A

S

S

A

E

G

E

A

A

D

S

M

Y

I

V

T

S

G

G

A

V

D

N

L

L

L

L

I

V

D

D

G

G

G

G

Y

Y

T

T

I

V

L

V

binding nicotinamide-adenine-dinucleotide: G12 (= G23), S15 (= S26), G16 (= G27), I17 (= I28), D36 (= D47), I37 (= I48), Q38 (≠ S49), C58 (= C69), D59 (= D70), V60 (= V71), N86 (≠ S97), A87 (= A98), V90 (= V101), I110 (= I120), T137 (≠ N147), Y152 (= Y163), K156 (= K167), V185 (= V196)
binding (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol: P93 (= P105), N94 (≠ A106), S95 (≠ E107), D98 (= D108)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
37% identity, 94% coverage: 17:257/257 of query aligns to 6:244/244 of 6t77A

query
sites
6t77A

K

K

V

I

A

A

I

L

V

V

T

T

G
|
G

G

A

A
x
S

S
x
R

G
|
G

I

I

G

G

A

R

A

A

I

I

S

A

K

E

A

T

F

L

I

V

A

A

K

R

G

G

A

A

K

K

V

V

A

I

V

G

L

T

D

A

I
x
T

S

S

A

E

D

S

I

G

A

A

K

Q

A

A

K

I

A

S

E

D

E

Y

L

L

G

G

E

A

N

N

A

G

K

K

P

G

F

L

V

M

C
x
L

D
x
N

V
|
V

S

T

S

D

Q

P

Q

A

S

S

V

I

N

E

D

S

A

V

I

L

T

E

A

N

V

V

I

R

T

A

Q

E

F

F

G

G

K

E

I

V

D

D

I

I

A

L

V

V

N

N

S

N

A
|
A

G
|
G

V
x
I

V

T

Y

R

L

D

A

N

P

L

A

L

E

M

D

R

I

M

S

K

L

D

D

D

Y

E

W

W

D

N

K

D

T

I

I

I

N

E

I

T

N

N

L

L

K

S

G

S

S

V

F

F

L

R

V

L

T

S

Q

K

A

A

V

V

G

M

R

R

A

A

M

M

I

M

A

K

A

K

G

R

N

H

G

-

G

G

K

R

I

I

I

I

N

T

L

I

A

G

S
|
S

Q

V

A

V

G

G

T

T

V

M

A

G

I

N

E

A

E

G

H

Q

V

A

A

N

Y
|
Y

C

A

A

A

S

A

K

K

F

A

G

G

V

L

I

I

G

G

M

F

S

S

K

K

T

S

F

L

A

A

A

R

E

E

W

V

G

A

K

S

H

R

G

G

I

I

C

T

V

V

N

N

T

V

L

V

S

A

P

P

T

G

I

F

V

I

L

E

T

T

E

D

L

M

G

-

K

T

K

R

A

A

W

L

A

T

G

D

E

E

K

Q

G

R

E

A

A

G

A

T

K

L

K

A

R

A

I

V

P

P

A

A

G

G

R

R

F

L

A

G

Y

T

P

P

E

N

E

E

I

I

A

A

A

S

A

A

A

V

V

A

F

F

L

L

A

A

S

S

A

D

G

E

A

A

D

S

M

Y

I

I

T

T

G

G

A

E

D

T

L

L

L

H

I

V

D

N

G

G

G

G

Y

M

T

Y

I

M

L

V

active site: G16 (= G27), S138 (= S150), Y151 (= Y163)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G23), S14 (≠ A25), R15 (≠ S26), T37 (≠ I48), L58 (≠ C69), N59 (≠ D70), V60 (= V71), A87 (= A98), G88 (= G99), I89 (≠ V100)

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)
36% identity, 95% coverage: 14:257/257 of query aligns to 6:247/247 of 3op4A

query
sites
3op4A

L

L

S

E

E

G

K

K

V

V

A

A

I

L

V

V

T

T

G
|
G

G

A

A
x
S

S
x
R

G

G

I
|
I

G

G

A

K

A

A

I

I

S

A

K

E

A

L

F

L

I

A

A

E

K

R

G

G

A

A

K

K

V

V

A

I

V

G

L

T

D

A

I
x
T

S

S

A

E

D

S

I

G

A

A

K

Q

A

A

K

I

A

S

E

D

E

Y

L

L

G

G

E

D

N

N

A

G

K

K

P

G

F

M

V

A

C

L

D
x
N

V
|
V

S

T

S

N

Q

P

Q

E

S

S

V

I

N

E

D

A

A

V

I

L

T

K

A

A

V

I

I

T

T

D

Q

E

F

F

G

G

K

G

I

V

D

D

I

I

A

L

V

V

N

N

S
x
N

A
|
A

G

G

V
x
I

V

T

Y

R

L

D

A

N

P

L

A

L

E

M

D

R

I

M

S

K

L

E

D

E

Y

E

W

W

D

S

K

D

T

I

I

M

N

E

I

T

N

N

L

L

K

T

G

S

S

I

F

F

L

R

V

L

T

S

Q

K

A

A

V

V

G

L

R

R

A

G

M

M

I

M

A

K

A

K

G

-

N

R

G

Q

G

G

K

R

I

I

I

I

N

N

L
x
V

A

G

S
|
S

Q

V

A

V

G

G

T

T

V

M

A

G

I

N

E

A

E

G

H

Q

V

A

A

N

Y
|
Y

C

A

A

A

S

A

K
|
K

F

A

G

G

V

V

I

I

G

G

M

F

S

T

K

K

T

S

F

M

A

A

A

R

E

E

W

V

G

A

K

S

H

R

G

G

I

V

C

T

V

V

N

N

T

T

L

V

S

A

P
|
P

T
x
G

I

F

V
x
I

L

E

T
|
T

E

D

L
x
M

G

-

K

T

K

K

A

A

W

L

A

N

G

D

E

E

K

Q

G

R

E

T

A

A

A

T

K

L

K

A

R

Q

I

V

P

P

A

A

G

G

R

R

F

L

A

G

Y

D

P

P

E

R

E

E

I

I

A

A

A

S

A

A

A

V

V

A

F

F

L

L

A

A

S

S

A

P

G

E

A

A

D

A

M

Y

I

I

T

T

G

G

A

E

D

T

L

L

L

H

I

V

D

N

G

G

G

G

Y

M

T

Y

I

M

L

I

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G23), S17 (≠ A25), R18 (≠ S26), I20 (= I28), T40 (≠ I48), N62 (≠ D70), V63 (= V71), N89 (≠ S97), A90 (= A98), I92 (≠ V100), V139 (≠ L148), S141 (= S150), Y154 (= Y163), K158 (= K167), P184 (= P193), G185 (≠ T194), I187 (≠ V196), T189 (= T198), M191 (≠ L200)

4za2D Crystal structure of pectobacterium carotovorum 2-keto-3-deoxy-d- gluconate dehydrogenase complexed with NAD+ (see paper)
33% identity, 95% coverage: 12:254/257 of query aligns to 6:244/247 of 4za2D

query
sites
4za2D

F

F

P

D

L

L

S

Q

E

G

K

K

V

V

A

A

I

L

V

I

T

T

G
|
G

G

C

A
x
D

S

T

G

G

I
x
L

G

G

A

Q

A

G

I

M

S

A

K

I

A

G

F

L

I

A

A

Q

K

A

G

G

A

C

K

D

V

I

A

V

V

G

L

V

D

N

I
|
I

-

V

S

E

A

P

D

K

I

D

A

T

K

I

A

E

K

K

A

V

E

T

E

A

L

L

G

G

E

R

N

R

A

F

K

L

P

S

F

L

V

T

C

A

D
|
D

V
x
M

S

S

S

N

Q

V

Q

S

S

G

V

H

N

A

D

E

A

L

I

V

T

E

A

K

V

A

I

V

T

A

Q

E

F

F

G

G

K

H

I

V

D

D

I

I

A

L

V

V

N

N

S
x
N

A
|
A

G
|
G

V

I

V

I

Y

R

L

R

A

E

P

D

A

A

E

I

D

E

I

F

S

S

L

E

D

K

Y

N

W

W

D

D

K

D

T

V

I

M

N

N

I
x
L

N

N

L

I

K

K

G

S

S

V

F

F

L

F

V

M

T

S

Q

Q

A

T

V

V

G

A

R

R

A

Q

M

F

I

I

A

K

A

Q

G

G

N

K

G

G

G

G

K

K

I

I

I

I

N

N

L
x
I

A

A

S
|
S

Q

M

A

L

G

S

T

F

V

Q

A

G

I

G

E

I

E

R

H

V

V

P

A

S

Y
|
Y

C

T

A

A

S

S

K
|
K

F

S

G

A

V

V

I

M

G

G

M

V

S

T

K

R

T

L

F

M

A

A

A

N

E

E

W

W

G

A

K

K

H

H

G

G

I

I

C

N

V

V

N

N

T

A

L

I

S

A

P

P

T
x
G

I

Y

V
x
M

L

A

T
|
T

E

N

L
x
N

G

T

K

Q

K

-

A

-

W

-

A

-

G

-

E

E

K

R

G

S

E

K

A

E

A

I

K

L

K

D

R

R

I

I

P

P

A

A

G

G

R

R

F

W

A

G

Y

L

P

P

E

Q

E

D

I

L

A

M

A

G

A

P

A

S

V

V

F

F

L

L

A

A

S

S

A

S

G

A

A

S

D

D

M

Y

I

I

T

N

G

G

A

Y

D

T

L

I

L

A

I

V

D

D

G

G

G

G

Y

W

binding nicotinamide-adenine-dinucleotide: G17 (= G23), D19 (≠ A25), L22 (≠ I28), I42 (= I48), D65 (= D70), M66 (≠ V71), N92 (≠ S97), A93 (= A98), G94 (= G99), L115 (≠ I120), I143 (≠ L148), S145 (= S150), Y158 (= Y163), K162 (= K167), G189 (≠ T194), M191 (≠ V196), T193 (= T198), N195 (≠ L200)

Q5P5I4 (S)-1-Phenylethanol dehydrogenase; EC 1.1.1.311 from Aromatoleum aromaticum (strain DSM 19018 / LMG 30748 / EbN1) (Azoarcus sp. (strain EbN1)) (see 2 papers)
36% identity, 93% coverage: 14:253/257 of query aligns to 5:245/249 of Q5P5I4

query
sites
Q5P5I4

L

L

S

K

E

D

K

K

V

L

A

A

I

V

V

I

T

T

G

G

G

G

A

A

S
x
N

G
|
G

I
|
I

G

G

A

R

A

A

I

I

S

A

K

E

A

R

F

F

I

A

A

V

K

E

G

G

A

A

K

D

V

I

A

A

V

I

L

A

D
|
D

-

L

I

V

S

P

A

A

D

P

I

E

A

A

K

E

A

A

K

A

A

I

E

R

E

N

L

L

G

G

E

R

N

R

A

V

K

L

P

T

F

V

V

K

C
|
C

D
|
D

V
|
V

S

S

S

Q

Q

P

Q

G

S

D

V

V

N

E

D

A

A

F

I

G

T

K

A

Q

V

V

I

I

T

S

Q

T

F

F

G

G

K

R

I

C

D

D

I

I

A

L

V

V

N

N

S
x
N

A

A

G

G

V

I

V
x
Y

Y

P

L

L

A

I

P

P

A

F

E

D

D

E

I

L

S

T

L

F

D

E

Y

Q

W

W

D

K

K

K

T

T

I

F

N

E

I

I

N

N

L

V

K

D

G

S

S

G

F

F

L

L

V

M

T

A

Q

K

A

A

V

F

G

V

R

P

A

G

M

M

I

K

A

R

A

N

G

G

N

-

G

W

G

G

K

R

I

I

I

I

N

N

L

L

A

T

S

S

Q

T

A

T

G

Y

T

W

V

L

A

K

I

I

E

E

E

A

H

Y

V

T

A

H

Y

Y

C

I

A

S

S

T

K
|
K

F

A

G

A

V

N

I

I

G

G

M

F

S

T

K

R

T

A

F

L

A

A

A

S

E

D

W

L

G

G

K

K

H

D

G

G

I

I

C

T

V

V

N

N

T

A

L

I

S

A

P
|
P

T
x
S

I
x
L

V
|
V

L

R

T

T

E

A

L
x
T

G

T

K

E

K

A

A

S

W

A

A

L

G

S

E

A

K

M

G

F

E

D

A

V

A

L

K

P

K

N

R

M

I

L

P

Q

A

A

-

I

G

P

R

R

F

L

A

Q

Y

V

P

P

E

L

E

D

I

L

A

T

A

G

A

A

A

A

V

A

F

F

L

L

A

A

S

S

A

D

G

D

A

A

D

S

M

F

I

I

T

T

G

G

A

Q

D

T

L

L

L

A

I

V

D

D

G

G

G

G

NGI 17:19 (≠ SGI 26:28) binding NAD(+)
D38 (= D47) binding NAD(+)
CDV 61:63 (= CDV 69:71) binding NAD(+)
N89 (≠ S97) binding NAD(+)
Y93 (≠ V101) binding NAD(+)
K158 (= K167) binding NAD(+)
PSLV 184:187 (≠ PTIV 193:196) binding NAD(+)
T191 (≠ L200) binding NAD(+)

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

2ewmB Crystal structure of the (s)-specific 1-phenylethanol dehydrogenase of the denitrifying bacterium strain ebn1 (see paper)
36% identity, 93% coverage: 14:253/257 of query aligns to 3:243/247 of 2ewmB

query
sites
2ewmB

L

L

S

K

E

D

K

K

V

L

A

A

I

V

V

I

T

T

G
|
G

G

G

A

A

S
x
N

G
|
G

I
|
I

G

G

A

R

A

A

I

I

S

A

K

E

A

R

F

F

I

A

A

V

K

E

G

G

A

A

K

D

V

I

A

A

V

I

L

A

D
|
D

-
x
L

I

V

S

P

A

A

D

P

I

E

A

A

K

E

A

A

K

A

A

I

E

R

E

N

L

L

G

G

E

R

N

R

A

V

K

L

P

T

F

V

V

K

C
|
C

D
|
D

V
|
V

S

S

S

Q

Q

P

Q

G

S

D

V

V

N

E

D

A

A

F

I

G

T

K

A

Q

V

V

I

I

T

S

Q

T

F

F

G

G

K

R

I

C

D

D

I

I

A

L

V

V

N

N

S
x
N

A

A

G

G

V

I

V

Y

Y

P

L

L

A

I

P

P

A

F

E

D

D

E

I

L

S

T

L

F

D

E

Y

Q

W

W

D

K

K

K

T

T

I

F

N

E

I

I

N

N

L

V

K

D

G

S

S

G

F

F

L

L

V

M

T

A

Q

K

A

A

V

F

G

V

R

P

A

G

M

M

I

K

A

R

A

N

G

G

N

-

G

W

G

G

K

R

I

I

I

I

N

N

L

L

A

T

S
|
S

Q

T

A

T

G

Y

T

W

V

L

A

K

I

I

E

E

E

A

H
x
Y

V

T

A

H

Y
|
Y

C

I

A

S

S

T

K
|
K

F

A

G

A

V

N

I

I

G

G

M

F

S

T

K

R

T

A

F

L

A

A

A

S

E

D

W

L

G

G

K

K

H

D

G

G

I

I

C

T

V

V

N

N

T

A

L

I

S

A

P
|
P

T
x
S

I
x
L

V
|
V

L

R

T

T

E

A

L
x
T

G

T

K

E

K

A

A

S

W

A

A

L

G

S

E

A

K

M

G

F

E

D

A

V

A

L

K

P

K

N

R

M

I

L

P

Q

A

A

-

I

G

P

R

R

F

L

A

Q

Y

V

P

P

E

L

E

D

I

L

A

T

A

G

A

A

A

A

V

A

F

F

L

L

A

A

S

S

A

D

G

D

A

A

D

S

M

F

I

I

T

T

G

G

A

Q

D

T

L

L

L

A

I

V

D

D

G

G

G

G

active site: G16 (= G27), S139 (= S150), Y149 (≠ H160), Y152 (= Y163), K156 (= K167)
binding nicotinamide-adenine-dinucleotide: G12 (= G23), N15 (≠ S26), G16 (= G27), I17 (= I28), D36 (= D47), L37 (vs. gap), C59 (= C69), D60 (= D70), V61 (= V71), N87 (≠ S97), S139 (= S150), Y152 (= Y163), K156 (= K167), P182 (= P193), S183 (≠ T194), L184 (≠ I195), V185 (= V196), T189 (≠ L200)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
38% identity, 95% coverage: 12:256/257 of query aligns to 1:247/247 of 4jroC

query
sites
4jroC

F

M

P

T

L

L

S

Q

E

G

K

K

V

V

A

A

I

V

V

V

T

T

G
|
G

G

G

A
x
S

S
x
R

G
|
G

I
|
I

G

G

A

R

A

D

I

I

S

A

K

I

A

N

F

L

I

A

A

K

K

E

G

G

A

A

K

N

V

I

-

F

-

F

-
x
N

-
x
Y

-
x
N

A
x
G

V
x
S

L

P

D

E

I

A

S

A

A

E

D

E

I

T

A

A

K

K

A

L

K

V

A

A

E

E

E

H

L

-

G

G

E

V

N

E

A

V

K

E

P

A

F

M

V

K

C

A

D
x
N

V
|
V

S

A

S

I

Q

A

Q

E

S

D

V

V

N

D

D

A

A

F

I

F

T

K

A

Q

V

A

I

I

T

E

Q

R

F

F

G

G

K

R

I

V

D

D

I

I

A

L

V

V

N

N

S
x
N

A
|
A

G

G

V
x
I

V

T

Y

R

L

D

A

N

P

L

A

L

E

M

D

R

I

M

S

K

L

E

D

D

Y

E

W

W

D

D

K

D

T

V

I

I

N

N

I
|
I

N

N

L

L

K

K

G

G

S

T

F

F

L

L

V

C

T

T

Q

K

A

A

V

V

G

S

R

R

A

T

M

M

I

M

A

K

A

Q

G

-

N

R

G

A

G

G

K

K

I

I

I

I

N

N

L

M

A

A

S
|
S

Q

V

A

V

G

G

T

L

V

I

A

G

I

N

E

A

E

G

H
x
Q

V

A

A

N

Y
|
Y

C

V

A

A

S

S

K
|
K

F

A

G

G

V

V

I

I

G

G

M

L

S

T

K

K

T

T

F

T

A

A

A

R

E

E

W

L

G

A

K

P

H

R

G

G

I

I

C

N

V

V

N

N

T

A

L

V

S

A

P
|
P

T

G

I

F

V
x
I

L

T

T
|
T

E

D

L

M

G

T

K

D

K

K

A

L

W

D

A

E

G

K

E

T

K

K

G

-

E

E

A

A

A

M

K

L

K

A

R

Q

I

I

P

P

A

L

G

G

R

A

F

Y

A

G

Y

T

P

T

E

E

E

D

I

I

A

A

A

N

A

A

A

V

V

L

F

F

L

L

A

A

S

S

A

D

G

A

A

S

D

K

M

Y

I

I

T

T

G

G

A

Q

D

T

L

L

L

S

I

V

D

D

G

G

G

G

Y

M

T

V

I

M

active site: G16 (= G27), S142 (= S150), Q152 (≠ H160), Y155 (= Y163), K159 (= K167)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G23), S14 (≠ A25), R15 (≠ S26), G16 (= G27), I17 (= I28), N35 (vs. gap), Y36 (vs. gap), N37 (vs. gap), G38 (≠ A44), S39 (≠ V45), N63 (≠ D70), V64 (= V71), N90 (≠ S97), A91 (= A98), I93 (≠ V100), I113 (= I120), S142 (= S150), Y155 (= Y163), K159 (= K167), P185 (= P193), I188 (≠ V196), T190 (= T198)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
36% identity, 95% coverage: 14:257/257 of query aligns to 6:243/243 of 4i08A

query
sites
4i08A

L

L

S

E

E

G

K

K

V

V

A

A

I

L

V

V

T

T

G
|
G

G

A

A
x
S

S
x
R

G
|
G

I
|
I

G

G

A

K

A

A

I

I

S

A

K

E

A

L

F

L

I

A

A

E

K

R

G

G

A

A

K

K

V

V

A

I

V

G

L

T

D

A

I
x
T

S

S

A

E

D

S

I

G

A

A

K

Q

A

A

K

I

A

S

E

D

E

Y

L

L

G

G

E

D

N

N

A

G

K

K

P

G

F

M

V

A

C

L

D
x
N

V
|
V

S

T

S

N

Q

P

Q

E

S

S

V

I

N

E

D

A

A

V

I

L

T

K

A

A

V

I

I

T

T

D

Q

E

F

F

G

G

K

G

I

V

D

D

I

I

A

L

V

V

N

N

S
x
N

A
|
A

G

G

V

I

V

T

Y

R

L

D

A

N

P

L

A

L

E

M

D

R

I

M

S

K

L

E

D

E

Y

E

W

W

D

S

K

D

T

I

I

M

N

E

I

T

N
|
N

L

L

K

T

G

S

S

I

F

F

L

R

V

L

T

S

Q

K

A

A

V

V

G

L

R

R

A

G

M

M

I

M

A

K

A

K

G

-

N

R

G

Q

G

G

K

R

I

I

I

I

N

N

L

V

A
x
G

S
|
S

Q

V

A

V

G

G

T

T

V

M

A

G

I

N

E

A

E

G

H
x
Q

V

A

A

N

Y
|
Y

C

A

A

A

S

A

K
|
K

F

A

G

G

V

V

I

I

G

G

M

F

S

T

K

K

T

S

F

M

A

A

A

R

E

E

W

V

G

A

K

S

H

R

G

G

I

V

C

T

V

V

N

N

T

T

L

V

S

A

P
|
P

T
x
G

I

F

V

I

L

E

T
|
T

E

D

L

M

G

N

K

D

K

-

A

-

W

-

A

-

G

-

E

E

K

Q

G

R

E

T

A

A

A

T

K

L

K

A

R

Q

I

V

P

P

A

A

G

G

R

R

F

L

A

G

Y

D

P

P

E

R

E

E

I

I

A

A

A

S

A

A

A

V

V

A

F

F

L

L

A

A

S

S

A

P

G

E

A

A

D

A

M

Y

I

I

T

T

G

G

A

E

D

T

L

L

L

H

I

V

D

N

G

G

G

G

Y

M

T

Y

I

M

L

I

active site: G19 (= G27), N113 (= N121), S141 (= S150), Q151 (≠ H160), Y154 (= Y163), K158 (= K167)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G23), S17 (≠ A25), R18 (≠ S26), I20 (= I28), T40 (≠ I48), N62 (≠ D70), V63 (= V71), N89 (≠ S97), A90 (= A98), G140 (≠ A149), S141 (= S150), Y154 (= Y163), K158 (= K167), P184 (= P193), G185 (≠ T194), T189 (= T198)

Q48436 Diacetyl reductase [(S)-acetoin forming]; Acetoin(diacetyl) reductase; AR; Meso-2,3-butanediol dehydrogenase; EC 1.1.1.304 from Klebsiella pneumoniae (see paper)
40% identity, 93% coverage: 16:253/257 of query aligns to 2:252/256 of Q48436

query
sites
Q48436

E

K

K

K

V

V

A

A

I
x
L

V
|
V

T
|
T

G
|
G

G
x
A

A
x
G

S
x
Q

G
|
G

I
|
I

G
|
G

A
x
K

A
|
A

I
|
I

S
x
A

K
x
L

A
x
R

F
x
L

I
x
V

A
x
K

K
x
D

G
|
G

A
x
F

K
x
A

V
|
V

A
|
A

V
x
I

L
x
A

D
|
D

I

Y

S

N

A

D

D

A

I

T

A

A

K

K

A

A

K

V

A

A

E

S

E

E

L

I

-

N

-

Q

-

A

G

G

E

G

N

R

A

A

K

M

P

A

F

V

V

K

C

V

D
|
D

V

V

S

S

S

D

Q

R

Q

D

S

Q

V

V

N

F

D

A

A

A

I

V

T

E

A

Q

V

A

I

R

T

K

Q

T

F

L

G

G

K

G

I

F

D

D

I

V

A

I

V

V

N

N

S

N

A

A

G

G

V

V

V

A

Y

P

L

S

A

T

P

P

A

I

E

E

D

S

I

I

S

T

L

P

D

E

Y

I

W

V

D

D

K

K

T

V

I

Y

N

N

I

I

N

N

L

V

K

K

G

G

S

V

F

I

L

W

V

G

T

I

Q

Q

A

A

V

A

G

V

R

E

A

A

M

F

I

K

A

K

A

E

G

G

N

H

G

G

G

G

K

K

I

I

I

I

N

N

L

A

A

C

S

S

Q

Q

A

A

G

G

T

H

V

V

A

G

I

N

E

P

E

E

H

L

V

A

A

V

Y

Y

C

S

A

S

S

S

K
|
K

F

F

G

A

V

V

I

R

G

G

M

L

S

T

K

Q

T

T

F

A

A

A

A

R

E

D

W

L

G

A

K

P

H

L

G

G

I

I

C

T

V

V

N

N

T

G

L

Y

S

C

P

P

T

G

I

I

V

V

L

K

T

T

E

P

L

M

G

-

K

-

K

-

A

-

W

W

A

A

-

E

-

I

-

D

G

R

E

Q

K

V

G

S

E

E

A

A

A

A

-

G

-

K

-

P

-

L

-

G

-

Y

-

G

-

T

-

A

-

E

-

F

K

A

K

K

R

R

I

I

P

T

A

L

G

G

R

R

F

L

A

S

Y

E

P

P

E

E

E

D

I

V

A

A

A

A

A

C

A

V

V

S

F

Y

L

L

A

A

S

S

A

P

G

D

A

S

D

D

M

Y

I

M

T

T

G

G

A

Q

D

S

L

L

L

L

I

I

D

D

G

G

G

G

6:33 (vs. 20:47, 43% identical) binding NAD(+)
D59 (= D70) binding NAD(+)
K156 (= K167) binding NAD(+)

1gegE Cryatal structure analysis of meso-2,3-butanediol dehydrogenase (see paper)
40% identity, 93% coverage: 16:253/257 of query aligns to 2:252/256 of 1gegE

query
sites
1gegE

E

K

K

K

V

V

A

A

I

L

V

V

T

T

G
|
G

G

A

A

G

S
x
Q

G
|
G

I
|
I

G

G

A

K

A

A

I

I

S

A

K

L

A

R

F

L

I

V

A

K

K

D

G

G

A

F

K

A

V

V

A

A

V

I

L

A

D
|
D

I
x
Y

S

N

A

D

D

A

I

T

A

A

K

K

A

A

K

V

A

A

E

S

E

E

L

I

-

N

-

Q

-

A

G

G

E

G

N

H

A

A

K

V

P

A

F

V

V

K

C
x
V

D
|
D

V
|
V

S

S

S

D

Q
x
R

Q
x
D

S

Q

V

V

N
x
F

D

A

A

A

I

V

T

E

A

Q

V

A

I

R

T

K

Q

T

F

L

G

G

K

G

I

F

D

D

I

V

A

I

V

V

N

N

S
x
N

A
|
A

G

G

V

V

V

A

Y

P

L

S

A

T

P

P

A

I

E

E

D

S

I

I

S

T

L

P

D

E

Y

I

W

V

D

D

K

K

T

V

I

Y

N

N

I
|
I

N

N

L

V

K

K

G

G

S

V

F

I

L

W

V

G

T

I

Q

Q

A

A

V

A

G

V

R
x
E

A

A

M

F

I

K

A

K

A

E

G

G

N

H

G

G

G

G

K

K

I

I

I

I

N

N

L

A

A

C

S
|
S

Q

Q

A

A

G

G

T

H

V

V

A

G

I

N

E

P

E

E

H

L

V

A

A

V

Y
|
Y

C

S

A

S

S

S

K
|
K

F

F

G

A

V

V

I

R

G

G

M

L

S

T

K

Q

T

T

F

A

A

A

A

R

E

D

W

L

G

A

K

P

H

L

G

G

I

I

C

T

V

V

N

N

T

G

L

Y

S

C

P
|
P

T

G

I

I

V
|
V

L

K

T
|
T

E

P

L
x
M

G

-

K

-

K

-

A

-

W

W

A

A

-

E

-

I

-

D

G

R

E

Q

K
x
V

G

S

E

E

A

A

A

A

-

G

-

K

-

P

-

L

-

G

-

Y

-

G

-

T

-

A

-

E

-

F

K

A

K

K

R

R

I

I

P

T

A

L

G

G

R

R

F

L

A

S

Y

E

P

P

E

E

E

D

I

V

A

A

A

A

A

C

A

V

V

S

F

Y

L

L

A

A

S

S

A

P

G

D

A

S

D

D

M

Y

I

M

T

T

G

G

A

Q

D

S

L

L

L

L

I

I

D

D

G

G

G

G

active site: G13 (= G27), S139 (= S150), Y152 (= Y163), K156 (= K167), V197 (≠ K209)
binding alpha-D-glucopyranose: R63 (≠ Q74), D64 (≠ Q75), F67 (≠ N78), E123 (≠ R134)
binding nicotinamide-adenine-dinucleotide: G9 (= G23), Q12 (≠ S26), I14 (= I28), D33 (= D47), Y34 (≠ I48), V58 (≠ C69), D59 (= D70), V60 (= V71), N86 (≠ S97), A87 (= A98), I109 (= I120), S139 (= S150), Y152 (= Y163), K156 (= K167), P182 (= P193), V185 (= V196), T187 (= T198), M189 (≠ L200)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
37% identity, 94% coverage: 14:255/257 of query aligns to 3:246/248 of 6ixmC

query
sites
6ixmC

L

L

S

D

E

N

K

K

V

V

A

A

I

L

V

V

T

T

G
|
G

G

A

A

G

S
|
S

G
|
G

I
|
I

G

G

A

L

A

A

I

V

S

A

K

H

A

S

F

Y

I

A

A

K

K

E

G

G

A

A

K

K

V

V

A

I

V

V

L

S

D
|
D

I
|
I

S

N

A

E

D

D

I

H

A

G

K

N

A

K

K

A

A

V

E

E

E

D

L

I

-

K

-

A

-

Q

G

G

E

G

N

E

A

A

K

S

P

F

F

V

V

K

C
x
A

D
|
D

V
x
T

S

S

S

N

Q

P

Q

E

S

E

V

V

N

E

D

A

A

L

I

V

T

K

A

R

V

T

I

V

T

E

Q

I

F

Y

G

G

K

R

I

L

D

D

I

I

A

A

V

C

N

N

S
x
N

A
|
A

G

G

V

I

V

G

-

G

Y

E

L

Q

A

A

P

L

A

A

E

G

D

D

I

Y

S

G

L

L

D

D

Y

S

W

W

D

R

K

K

T

V

I

L

N

S

I

I

N

N

L

L

K

D

G

G

S

V

F

F

L

Y

V

G

T

C

Q

K

A

Y

V

E

G

L

R

E

A

Q

M

M

I

E

A

K

A

N

G

G

N

-

G

G

G

G

K

V

I

I

I

V

N

N

L
x
M

A

A

S
|
S

Q

I

A

H

G

G

T

I

V

V

A

A

I

A

E

P

E

L

H

S

V

S

A

A

Y
|
Y

C

T

A

S

S

A

K
|
K

F

H

G

A

V

V

I

V

G

G

M

L

S

T

K

K

T

N

F

I

A

G

A

A

E

E

W

Y

G

G

K

Q

H

K

G

N

I

I

C

R

V

C

N

N

T

A

L

V

S

G

P
|
P

T
x
A

I
x
Y

V
x
I

L

E

T

T

E

P

L
|
L

G

-

K

L

K

E

A

S

W

L

A

T

G

K

E

E

K

M

G

K

E

E

A

A

A

L

K

I

K

S

R

K

I

H

P

P

A

M

G

G

R

R

F

L

A

G

Y

K

P

P

E

E

E

E

I

V

A

A

A

E

A

L

A

V

V

L

F

F

L

L

A

S

S

S

A

E

G

K

A

S

D

S

M

F

I

M

T

T

G

G

A

G

D

Y

L

Y

L

L

I

V

D

D

G

G

G

G

Y

Y

T

T

active site: G16 (= G27), S142 (= S150), Y155 (= Y163), K159 (= K167)
binding nicotinamide-adenine-dinucleotide: G12 (= G23), S15 (= S26), G16 (= G27), I17 (= I28), D36 (= D47), I37 (= I48), A61 (≠ C69), D62 (= D70), T63 (≠ V71), N89 (≠ S97), A90 (= A98), M140 (≠ L148), S142 (= S150), Y155 (= Y163), K159 (= K167), P185 (= P193), A186 (≠ T194), Y187 (≠ I195), I188 (≠ V196), L192 (= L200)

5itvD Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
35% identity, 94% coverage: 14:255/257 of query aligns to 5:225/227 of 5itvD

query
sites
5itvD

L

L

S

T

E

D

K

K

V

T

A

V

I

L

V

I

T

T

G
|
G

G

G

A

A

S
|
S

G
|
G

I
|
I

G

G

A

Y

A

A

I

A

S

V

K

Q

A

A

F

F

I

L

A

G

K

Q

G

Q

A

A

K

N

V

V

A

V

V

V

L

A

D
|
D

I
|
I

S

D

A

E

D

A

I

Q

A

G

K

E

A

A

K

M

A

V

E

R

E

K

L

E

G

N

E

N

N

D

A

R

K

L

P

H

F

F

V

V

-

Q

C
x
T

D
|
D

V
x
I

S

T

S

D

Q

E

Q

A

S

A