SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_045585962.1 NCBI__GCF_001305595.1:WP_045585962.1 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)

7djsD Crystal structure of isopiperitenol dehydrogenase from pseudomonas aeruginosa complexed with NAD
52% identity, 100% coverage: 1:247/248 of query aligns to 3:250/251 of 7djsD

query
sites
7djsD

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binding nicotinamide-adenine-dinucleotide: G12 (= G10), G16 (= G14), I17 (= I15), D36 (≠ G34), L37 (≠ R35), C61 (≠ A59), D62 (= D60), V63 (= V61), N89 (= N87), A90 (= A88), T140 (= T137), S142 (= S139), Y155 (= Y152), K159 (= K156), A186 (= A183), V187 (≠ I184)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
39% identity, 100% coverage: 1:248/248 of query aligns to 5:255/255 of 5itvA

query
sites
5itvA

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active site: G18 (= G14), S141 (= S139), Y154 (= Y152), K158 (= K156)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G10), S17 (= S13), G18 (= G14), I19 (= I15), D38 (≠ G34), I39 (≠ R35), T61 (≠ A59), I63 (≠ V61), N89 (= N87), G91 (= G89), T139 (= T137), S141 (= S139), Y154 (= Y152), K158 (= K156), P184 (= P182), G185 (≠ A183), I186 (= I184), I187 (= I185)

8y83A Crystal structure of a ketoreductase from sphingobacterium siyangense sy1 with co-enzyme
40% identity, 100% coverage: 1:247/248 of query aligns to 4:248/249 of 8y83A

query
sites
8y83A

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binding nicotinamide-adenine-dinucleotide: G13 (= G10), S16 (= S13), G17 (= G14), I18 (= I15), D37 (≠ G34), I38 (≠ R35), A62 (= A59), D63 (= D60), S64 (≠ V61), N90 (= N87), M141 (≠ T137), Y156 (= Y152), K160 (= K156), P186 (= P182), G187 (≠ A183), Y188 (≠ I184), I189 (= I185), L193 (≠ M189)

6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
41% identity, 100% coverage: 1:247/248 of query aligns to 3:247/248 of 6ixmC

query
sites
6ixmC

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active site: G16 (= G14), S142 (= S139), Y155 (= Y152), K159 (= K156)
binding nicotinamide-adenine-dinucleotide: G12 (= G10), S15 (= S13), G16 (= G14), I17 (= I15), D36 (≠ G34), I37 (≠ R35), A61 (= A59), D62 (= D60), T63 (≠ V61), N89 (= N87), A90 (= A88), M140 (≠ T137), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), A186 (= A183), Y187 (≠ I184), I188 (= I185), L192 (≠ M189)

4urfB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
39% identity, 100% coverage: 1:248/248 of query aligns to 3:248/248 of 4urfB

query
sites
4urfB

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I

G

G

M

I

A

E

G

G

N
x
I

A

T

A

P

Y
|
Y

S

T

A

A

S

A

K
|
K

A

H

A

G

V

V

E

V

G

G

L

L

T

T

R

K

T

T

A

V

A

A

I

W

E

E

V

Y

A

G

A

S

S

K

G

G

V

I

R
|
R

V

I

N

N

A

S

V

V

C

G

P
|
P

A
|
A

I

F

I
|
I

Q

N

T
|
T

P

T

M

L

T

V

Q

Q

G

N

S

V

F

-

G

-

G

-

A

P

E

L

Q

E

V

T

E

R

A

R

V

Q

L

L

G

E

R

Q

L

M

H

H

P

A

V
x
L

G
x
R

R
|
R

V

L

G

G

R

E

P

T

E

E

E

E

V

V

A

A

A

N

A

L

V

V

L

A

W

W

L

L

C

S

S
|
S

D

D

S

K

A

A

G

S

F

F

V

V

T

T

G

G

Q

S

S

Y

I

Y

N

A

I

V

D

D

G

G

G

G

V

Y

T

L

A

A

Q

R

active site: G16 (= G14), S142 (= S139), I152 (≠ N149), Y155 (= Y152), K159 (= K156)
binding 3-pyridinium-1-ylpropane-1-sulfonate: L210 (≠ V210), R211 (≠ G211), R212 (= R212)
binding bicarbonate ion: I92 (= I90), G94 (vs. gap), R109 (= R106), R179 (= R176), S228 (= S228)
binding nicotinamide-adenine-dinucleotide: G12 (= G10), G14 (≠ T12), N15 (≠ S13), G16 (= G14), I17 (= I15), D36 (≠ G34), I37 (≠ R35), D62 (= D60), T63 (≠ V61), N89 (= N87), A90 (= A88), G91 (= G89), I140 (≠ T137), Y155 (= Y152), K159 (= K156), P185 (= P182), A186 (= A183), I188 (= I185), T190 (= T187)

4urfA Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
39% identity, 100% coverage: 1:248/248 of query aligns to 3:248/248 of 4urfA

query
sites
4urfA

M

L

S

E

G

G

R

K

V

T

V

A

L

L

V

V

T

T

G
|
G

G

A

T
x
G

S
x
N

G
|
G

I
|
I

G

G

R

R

A

T

T

I

A

A

L

L

A

T

F

Y

G

A

Q

A

A

E

G

G

A

A

T

N

V

V

I

V

V

V

T

S

G
x
D

R
x
I

R

S

E

D

A

E

E
x
W

G

G

Q

R

E

E

T

T

V

L

A

A

Q

L

I

I

G

E

H

G

A

K

G

G

G

G

V

K

G

A

S

V

F

F

V

Q

A

H

A

A

D
|
D

V
x
T

A

A

D

H

A

P

A

E

E

D

V

H

A

D

A

E

L

L

F

I

G

A

R

A

I

A

E

K

R

R

D

A

H

F

G

G

R

R

L

L

D

D

A

I

A

A

F

C

N

N

N
|
N

A
|
A

G
|
G

I
|
I

H
x
S

-
x
G

Q
x
E

V

F

A
x
T

P

P

L

T

T

A

E
|
E

M

T

D
x
T

D

D

S

A

A
x
Q

F

W

D

Q

R
|
R

I

V

L

I

T

G

V

I

N

N

V

L

K

S

G

G

V

V

W

F

L

Y

C

G

L

V

K

R

H

A

E

Q

L

I

A

R

I

A

M

M

K

L

R

E

Q

T

G

G

H

G

G

G

S

A

I

I

V

V

N

N

T
x
I

G

S

S
|
S

V

I

L

A

G

G

Q

Q

I

I

G

G

M

I

A

E

G

G

N
x
I

A

T

A

P

Y
|
Y

S

T

A

A

S

A

K
|
K

A

H

A

G

V

V

E

V

G

G

L

L

T

T

R

K

T

T

A

V

A

A

I

W

E

E

V

Y

A

G

A
x
S

S

K

G
|
G

V

I

R

R

V

I

N

N

A

S

V

V

C

G

P
|
P

A

A

I

F

I
|
I

Q

N

T
|
T

P

T

M

L

T

V

Q

Q

G

N

S

V

F

-

G

-

G

-

A

P

E

L

Q

E

V

T

E

R

A

R

V

Q

L

L

G

E

R

Q

L

M

H

H

P

A

V

L

G

R

R

R

V

L

G

G

R

E

P

T

E

E

E

E

V

V

A

A

A

N

A

L

V

V

L

A

W

W

L

L

C

S

S

S

D

D

S

K

A

A

G

S

F

F

V

V

T

T

G

G

Q
x
S

S
x
Y

I

Y

N

A

I

V

D

D

G

G

G

G

V

Y

T

L

A

A

Q

R

active site: G16 (= G14), S142 (= S139), I152 (≠ N149), Y155 (= Y152), K159 (= K156)
binding 3-pyridinium-1-ylpropane-1-sulfonate: I92 (= I90), S93 (≠ H91), G94 (vs. gap), E95 (≠ Q92), T97 (≠ A94), E101 (= E98), T103 (≠ D100), Q106 (≠ A103), R109 (= R106), S175 (≠ A172), G177 (= G174)
binding magnesium ion: S237 (≠ Q237), Y238 (≠ S238)
binding nicotinamide-adenine-dinucleotide: G12 (= G10), G14 (≠ T12), N15 (≠ S13), G16 (= G14), I17 (= I15), D36 (≠ G34), I37 (≠ R35), W41 (≠ E39), D62 (= D60), T63 (≠ V61), N89 (= N87), A90 (= A88), G91 (= G89), I140 (≠ T137), Y155 (= Y152), K159 (= K156), P185 (= P182), I188 (= I185), T190 (= T187)

4ureB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
39% identity, 100% coverage: 1:248/248 of query aligns to 3:248/248 of 4ureB

query
sites
4ureB

M

L

S

E

G

G

R

K

V

T

V

A

L

L

V

V

T

T

G

G

G

A

T

G

S
x
N

G
|
G

I
|
I

G

G

R

R

A

T

T

I

A

A

L

L

A

T

F

Y

G

A

Q

A

A

E

G

G

A

A

T

N

V

V

I

V

V

V

T

S

G

D

R

I

R

S

E

D

A

E

E

W

G

G

Q

R

E

E

T

T

V

L

A

A

Q

L

I

I

G

E

H

G

A

K

G

G

G

G

V

K

G

A

S

V

F

F

V

Q

A

H

A

A

D

D

V

T

A

A

D

H

A

P

A

E

E

D

V

H

A

D

A

E

L

L

F

I

G

A

R

A

I

A

E

K

R

R

D

A

H

F

G

G

R

R

L

L

D

D

A

I

A

A

F

C

N

N

N
|
N

A

A

G
|
G

I

I

H

S

-

G

Q

E

V

F

A

T

P

P

L

T

T

A

E

E

M

T

D

T

D

D

S

A

A

Q

F

W

D

Q

R

R

I

V

L

I

T

G

V

I

N

N

V

L

K

S

G

G

V

V

W

F

L

Y

C

G

L

V

K

R

H

A

E

Q

L

I

A

R

I

A

M

M

K

L

R

E

Q

T

G

G

H

G

G

G

S

A

I

I

V

V

N

N

T

I

G

S

S
|
S

V

I

L

A

G

G

Q

Q

I

I

G

G

M

I

A

E

G

G

N
x
I

A

T

A

P

Y
|
Y

S

T

A

A

S

A

K
|
K

A

H

A

G

V

V

E

V

G

G

L

L

T

T

R

K

T

T

A

V

A

A

I

W

E

E

V

Y

A

G

A

S

S

K

G

G

V

I

R

R

V

I

N

N

A

S

V

V

C

G

P
|
P

A
|
A

I

F

I

I

Q

N

T

T

P

T

M

L

T

V

Q

Q

G

N

S

V

F

-

G

-

G

-

A

P

E

L

Q

E

V

T

E

R

A

R

V

Q

L

L

G

E

R

Q

L

M

H

H

P

A

V

L

G

R

R

R

V

L

G

G

R

E

P

T

E

E

E

E

V

V

A

A

A

N

A

L

V

V

L

A

W

W

L

L

C

S

S

S

D

D

S

K

A

A

G

S

F

F

V

V

T

T

G

G

Q

S

S

Y

I

Y

N

A

I

V

D

D

G

G

G

G

V

Y

T

L

A

A

Q

R

active site: G16 (= G14), S142 (= S139), I152 (≠ N149), Y155 (= Y152), K159 (= K156)
binding 3-pyridinium-1-ylpropane-1-sulfonate: N15 (≠ S13), G16 (= G14), I17 (= I15), N89 (= N87), G91 (= G89), Y155 (= Y152), P185 (= P182), A186 (= A183)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
41% identity, 99% coverage: 1:245/248 of query aligns to 3:245/247 of 4jroC

query
sites
4jroC

M

L

S

Q

G

G

R

K

V

V

V

A

L

V

V

V

T

T

G
|
G

G

G

T
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

G

A

Q

K

A

E

G

G

A

A

T

N

V

I

I

F

V

F

T
x
N

G
x
Y

R
x
N

R
x
G

E
x
S

A

P

E

E

G

A

Q

A

E

E

T

E

V

T

A

A

Q

K

I

L

G

V

H

A

A

E

G

H

G

G

V

V

G

E

-

V

S

E

F

A

V

M

A

K

A

A

D
x
N

V
|
V

A

A

D

I

A

A

A

E

E

D

V

V

A

D

A

A

L

F

F

F

G

K

R

Q

-

A

I

I

E

E

R

R

D

-

H

F

G

G

R

R

L

V

D

D

A

I

A

L

F

V

N

N

N
|
N

A
|
A

G

G

I
|
I

H

T

Q

R

V

D

A

N

P

L

L

L

T

M

E

R

M

M

D

K

D

E

S

D

A

E

F

W

D

D

R

D

I

V

L

I

T

N

V
x
I

N

N

V

L

K

K

G

G

V

T

W

F

L

L

C

C

L

T

K

K

H

A

E

V

L

S

A

R

I

T

M

M

K

M

R

K

Q

Q

G

R

H

A

G

G

S

K

I

I

V

I

N

N

T

M

G

A

S
|
S

V

V

L

V

G

G

Q

L

I

I

G

G

M

N

A

A

G

G

N
x
Q

A

A

A

N

Y
|
Y

S

V

A

A

S

S

K
|
K

A

A

A

G

V

V

E

I

G

G

L

L

T

T

R

K

T

T

A

T

A

A

I

R

E

E

V

L

A

A

A

P

S

R

G

G

V

I

R

N

V

V

N

N

A

A

V

V

C

A

P
|
P

A

G

I

F

I
|
I

Q

T

T
|
T

P

D

M

M

T

T

Q

D

G

K

S

L

F

-

G

-

G

D

A

E

E

K

Q

T

V

K

E

E

A

A

V

M

L

L

G

A

R

Q

L

I

H

-

P

P

V

L

G

G

R

A

V

Y

G

G

R

T

P

T

E

E

E

D

V

I

A

A

A

N

A

A

V

V

L

L

W

F

L

L

C

A

S

S

D

D

S

A

A

S

G

K

F

Y

V

I

T

T

G

G

Q

Q

S

T

I

L

N

S

I

V

D

D

G

G

G

G

V

M

active site: G16 (= G14), S142 (= S139), Q152 (≠ N149), Y155 (= Y152), K159 (= K156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G10), S14 (≠ T12), R15 (≠ S13), G16 (= G14), I17 (= I15), N35 (≠ T33), Y36 (≠ G34), N37 (≠ R35), G38 (≠ R36), S39 (≠ E37), N63 (≠ D60), V64 (= V61), N90 (= N87), A91 (= A88), I93 (= I90), I113 (≠ V110), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), I188 (= I185), T190 (= T187)

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
35% identity, 100% coverage: 1:248/248 of query aligns to 5:261/261 of 6zzsD

query
sites
6zzsD

M

L

S

D

G

G

R

K

V

V

V

A

L

F

V

I

T

T

G
|
G

G

S

T

A

S
|
S

G
|
G

I
|
I

G

G

R

L

A

E

T

I

A

A

L

K

A

K

F

F

G

A

Q

Q

A

E

G

G

A

A

T

K

V

V

I

V

V

I

T

S

G
x
D

R
x
M

R

N

E

A

A

E

E

K

G

C

Q

Q

E

E

T

T

V

A

A

N

Q

S

I

L

G

K

H

E

A

Q

G

G

G

F

V

D

G

A

S

L

F

S

V

A

A

P

A

C

D
|
D

V
|
V

A

T

D

D

A

E

A

D

E

A

V

Y

A

K

A

Q

L

A

F

I

G

E

R

L

I

T

E

Q

R

K

D

T

H

F

G

G

R

T

L

V

D

D

A

I

A

L

F

I

N

N

N
|
N

A
|
A

G
|
G

I

F

H
x
Q

Q

H

V

V

A

A

P

P

L

I

T

E

E

E

M

F

D

P

D

T

S

A

A

V

F

F

D

Q

R

K

I

L

L

V

T

Q

V

V

N

M

V

L

K

T

G

G

V

A

W

F

L

I

C

G

L

I

K

K

H

H

E

V

L

L

A

P

I

I

M

M

K

K

R

A

Q

Q

G

K

H

Y

G

G

S

R

I

I

V

I

N

N

T
x
M

G
x
A

S
|
S

V

I

L
x
N

G

G

Q

L

I

I

G

G

M

F

A

A

G

G

N
x
K

A

A

A

G

Y
|
Y

S

N

A

S

S

A

K
|
K

A

H

A

G

V

V

E

I

G

G

L

L

T

T

R

K

T

V

A

A

A

A

I

L

E

E

V

C

A

A

A

R

S

D

G

G

V

I

R

T

V

V

N

N

A

A

V

L

C

C

P
|
P

A
x
G

I

Y

I
x
V

Q

D

T
|
T

P

P

M
x
L

T

V

Q

R

G

G

S
x
Q

F

I

G

A

G

D

A

L

E

A

Q

K

-

T

-

R

-

N

-

V

-

S

-

L

-

D

-

S

-

A

V

L

E

E

A

D

V

V

L

I

G

L

R

A

L

M

H

V

P

P

V

Q

G

K

R

R

V

L

G

L

R

S

P

V

E

E

E

E

V

I

A

A

A

D

A

Y

V

A

L

I

W

F

L

L

C

A

S

S

D

S

S

K

A

A

G

G

F

G

V

V

T

T

G

G

Q

Q

S

A

I

V

N

V

I

M

D

D

G

G

G

G

V

Y

T

T

A

A

Q

Q

active site: G18 (= G14), S143 (= S139), Y156 (= Y152)
binding nicotinamide-adenine-dinucleotide: G14 (= G10), S17 (= S13), I19 (= I15), D38 (≠ G34), M39 (≠ R35), D64 (= D60), V65 (= V61), N91 (= N87), A92 (= A88), G93 (= G89), M141 (≠ T137), A142 (≠ G138), S143 (= S139), Y156 (= Y152), K160 (= K156), P186 (= P182), G187 (≠ A183), V189 (≠ I185), T191 (= T187), L193 (≠ M189)
binding 3-oxidanylidenepentanoic acid: Q95 (≠ H91), S143 (= S139), N145 (≠ L141), K153 (≠ N149), Y156 (= Y152), Q197 (≠ S193)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
35% identity, 100% coverage: 1:248/248 of query aligns to 4:260/260 of 6zzqA

query
sites
6zzqA

M

L

S

D

G

G

R

K

V

V

V

A

L

F

V

I

T

T

G
|
G

G

S

T

A

S
|
S

G
|
G

I
|
I

G

G

R

L

A

E

T

I

A

A

L

K

A

K

F

F

G

A

Q

Q

A

E

G

G

A

A

T

K

V

V

I

V

V

I

T

S

G
x
D

R
x
M

R

N

E

A

A

E

E

K

G

C

Q

Q

E

E

T

T

V

A

A

N

Q

S

I

L

G

K

H

E

A

Q

G

G

G

F

V

D

G

A

S

L

F

S

V

A

A

P

A

C

D
|
D

V
|
V

A

T

D

D

A

E

A

D

E

A

V

Y

A

K

A

Q

L

A

F

I

G

E

R

L

I

T

E

Q

R

K

D

T

H

F

G

G

R

T

L

V

D

D

A

I

A

L

F

I

N

N

N
|
N

A
|
A

G
|
G

I

F

H
x
Q

Q

H

V

V

A

A

P

P

L

I

T

E

E

E

M

F

D

P

D

T

S

A

A

V

F

F

D

Q

R

K

I

L

L

V

T

Q

V

V

N

M

V

L

K

T

G

G

V

A

W

F

L

I

C

G

L

I

K

K

H

H

E

V

L

L

A

P

I

I

M

M

K

K

R

A

Q

Q

G

K

H

Y

G

G

S

R

I

I

V

I

N

N

T
x
M

G
x
A

S
|
S

V

I

L

N

G

G

Q

L

I

I

G

G

M

F

A

A

G

G

N
x
K

A

A

A

G

Y
|
Y

S

N

A

S

S

A

K
|
K

A

H

A

G

V

V

E

I

G

G

L

L

T

T

R

K

T

V

A

A

A

A

I

L

E

E

V

C

A

A

A

R

S

D

G

G

V

I

R

T

V

V

N

N

A

A

V

L

C

C

P

P

A

G

I
x
Y

I
x
V

Q

D

T
|
T

P

P

M

L

T

V

Q

R

G

G

S
x
Q

F

I

G

A

G

D

A

L

E

A

Q

K

-

T

-

R

-

N

-

V

-

S

-

L

-

D

-

S

-

A

V

L

E

E

A

D

V

V

L

I

G

L

R

A

L

M

H

V

P

P

V

Q

G

K

R

R

V

L

G

L

R

S

P

V

E

E

E

E

V

I

A

A

A

D

A

Y

V

A

L

I

W

F

L

L

C

A

S

S

D

S

S

K

A

A

G

G

F

G

V

V

T

T

G

G

Q

Q

S

A

I

V

N

V

I

M

D

D

G

G

G

G

V

Y

T

T

A

A

Q

Q

active site: G17 (= G14), S142 (= S139), Y155 (= Y152)
binding acetoacetic acid: Q94 (≠ H91), S142 (= S139), K152 (≠ N149), Y155 (= Y152), Q196 (≠ S193)
binding nicotinamide-adenine-dinucleotide: G13 (= G10), S16 (= S13), G17 (= G14), I18 (= I15), D37 (≠ G34), M38 (≠ R35), D63 (= D60), V64 (= V61), N90 (= N87), A91 (= A88), G92 (= G89), M140 (≠ T137), A141 (≠ G138), S142 (= S139), Y155 (= Y152), K159 (= K156), Y187 (≠ I184), V188 (≠ I185), T190 (= T187)

4bmsF Short chain alcohol dehydrogenase from ralstonia sp. Dsm 6428 in complex with NADPH
37% identity, 99% coverage: 1:246/248 of query aligns to 4:247/249 of 4bmsF

query
sites
4bmsF

M

L

S

L

G

N

R

K

V

T

V

A

L

V

V

I

T

T

G
|
G

G

G

T
x
N

S
|
S

G

G

I
|
I

G

G

R

L

A

A

T

T

A

A

L

K

A

R

F

F

G

V

Q

A

A

E

G

G

A

A

T

Y

V

V

I

F

V

I

T

V

G

G

R
|
R

R
|
R

E

R

A

K

E

E

G

L

Q

E

E

Q

T

A

V

A

A

A

Q

E

I

I

G

G

H

R

A

N

G

V

G

-

V

-

G

-

S

T

F

A

V

V

A

K

A
|
A

D
|
D

V
|
V

A

T

D

K

A

L

A

E

E

D

V

L

A

D

A

R

L

L

F

Y

G

A

R

I

I

V

E

R

R

E

D

Q

H

R

G

G

R

S

L

I

D

D

A

V

A

L

F

F

N

A

N
|
N

A
x
S

G
|
G

I

A

H

I

Q

E

V

Q

A

K

P

T

L

L

T

E

E

E

M

I

D

T

D

P

S

E

A

H

F

Y

D

D

R

R

I

T

L

F

T

D

V
|
V

N

N

V

V

K

R

G

G

V

L

W

I

L

F

C

T

L

V

K

Q

H

K

E

A

L

L

A

P

I

L

M

L

K

-

R

R

Q

D

G

G

H

-

G

G

S

S

I

V

V

I

N

L

T

T

G

S

S
|
S

V

V

L

A

G

G

Q

V

I

L

G

G

M

L

A

Q

G

A

N
x
H

A

D

A

T

Y
|
Y

S

S

A

A

S

A

K
|
K

A

A

A

A

V

V

E

R

G

S

L

L

T

A

R

R

T

T

A

W

A

T

I

T

E

E

V

L

A

K

A

G

S

R

G

S

V

I

R

R

V

V

N

N

A

A

V

V

C

S

P

P

A
x
G

I

A

I
|
I

Q

D

T
|
T

P

P

M
x
I

T

I

Q

E

G

N

S

Q

F

V

G

S

G

T

A
x
Q

E

E

Q

E

V

A

E

D

A

E

V

L

L

R

G

A

R

K

L

F

-

A

-

A

-

A

H

T

P

P

V

L

G

G

R

R

V

V

G

G

R

R

P

P

E

E

E

E

V

L

A

A

A

A

A

A

V

V

L

L

W

F

L

L

C

A

S

S

D

D

S

D

A

S

G

S

F

Y

V

V

T

A

G

G

Q

I

S

E

I

L

N

F

I

V

D

D

G

G

G

G

V

L

T

T

active site: S137 (= S139), H147 (≠ N149), Y150 (= Y152), K154 (= K156), Q195 (≠ A197)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G10), N15 (≠ T12), S16 (= S13), I18 (= I15), R38 (= R35), R39 (= R36), A59 (= A59), D60 (= D60), V61 (= V61), N87 (= N87), S88 (≠ A88), G89 (= G89), V110 (= V110), S137 (= S139), Y150 (= Y152), K154 (= K156), G181 (≠ A183), I183 (= I185), T185 (= T187), I187 (≠ M189)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
40% identity, 96% coverage: 7:245/248 of query aligns to 5:237/239 of 3sj7A

query
sites
3sj7A

L

L

V

V

T

T

G
|
G

G

A

T
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

G

A

Q

E

A

E

G

G

A

Y

T

N

V

V

I

A

V

V

T
x
N

G
x
Y

R
x
A

R
x
G

E
x
S

A

K

E

E

G

K

Q

A

E

E

T

A

V

V

A

V

Q

E

I

E

G

I

H

K

A

A

G

K

G

G

V

V

G

D

S

S

F

F

-

A

V

I

A

Q

A
|
A

D
x
N

V
|
V

A

A

D

D

A

A

A

D

E

E

V

V

A

K

A

A

L

M

F

I

G

K

R

E

I

V

E

V

R

S

D

Q

H

F

G

G

R

S

L

L

D

D

A

V

A

L

F

V

N

N

N
|
N

A
|
A

G

G

I

I

H

T

Q

R

V

D

A

N

P

L

L

L

T

M

E

R

M

M

D

K

D

E

S

Q

A

E

F

W

D

D

R

D

I

V

L

I

T

D

V
x
T

N

N

V

L

K

K

G

G

V

V

W

F

L

N

C

C

L

I

K

Q

H

K

E

A

L

T

A

P

I

Q

M

M

K

L

R

R

Q

Q

G

R

H

S

G

G

S

A

I

I

V

I

N

N

T

L

G

S

S
|
S

V

V

L

V

G

G

Q

A

I

V

G

G

M

N

A

P

G

G

N
x
Q

A

A

A

N

Y
|
Y

S

V

A

A

S

T

K
|
K

A

A

A

G

V

V

E

I

G

G

L

L

T

T

R

K

T

S

A

A

A

A

I

R

E

E

V

L

A

A

A

S

S

R

G

G

V

I

R

T

V

V

N

N

A

A

V

V

C

A

P
|
P

A
x
G

I

F

I

I

Q

V

T

S

P

D

M

M

T

T

Q

D

G

-

S

-

F

-

G

-

G

-

A

-

E

E

Q

L

V

K

E

E

A

Q

V

M

L

L

G

T

R

Q

L

I

H

-

P

P

V

L

G

A

R

R

V

F

G

G

R

Q

P

D

E

T

E

D

V

I

A

A

A

N

A

T

V

V

L

A

W

F

L

L

C

A

S

S

D

D

S

K

A

A

G

K

F

Y

V

I

T

T

G

G

Q

Q

S

T

I

I

N

H

I

V

D

N

G

G

G

G

V

M

active site: G12 (= G14), S138 (= S139), Q148 (≠ N149), Y151 (= Y152), K155 (= K156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), S10 (≠ T12), R11 (≠ S13), I13 (= I15), N31 (≠ T33), Y32 (≠ G34), A33 (≠ R35), G34 (≠ R36), S35 (≠ E37), A58 (= A59), N59 (≠ D60), V60 (= V61), N86 (= N87), A87 (= A88), T109 (≠ V110), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
40% identity, 96% coverage: 7:245/248 of query aligns to 8:244/246 of 3osuA

query
sites
3osuA

L

L

V

V

T

T

G

G

G

A

T

S

S

R

G
|
G

I

I

G

G

R

R

A

S

T

I

A

A

L

L

A

Q

F

L

G

A

Q

E

A

E

G

G

A

Y

T

N

V

V

I

A

V

V

T

N

G

Y

R

A

R

G

E

S

A

K

E

E

G

K

Q

A

E

E

T

A

V

V

A

V

Q

E

I

E

G

I

H

K

A

A

G

K

G

G

V

V

G

D

S

S

F

F

-

A

V

I

A

Q

A

A

D

N

V

V

A

A

D

D

A

A

A

D

E

E

V

V

A

K

A

A

L

M

F

I

G

K

R

E

I

V

E

V

R

S

D

Q

H

F

G

G

R

S

L

L

D

D

A

V

A

L

F

V

N

N

N
|
N

A

A

G

G

I

I

H

T

Q

R

V

D

A

N

P

L

L

L

T

M

E

R

M

M

D

K

D

E

S

Q

A

E

F

W

D

D

R

D

I

V

L

I

T

D

V

T

N

N

V

L

K

K

G

G

V

V

W

F

L

N

C

C

L

I

K

Q

H

K

E

A

L

T

A

P

I

Q

M

M

K

L

R

R

Q

Q

G

R

H

S

G

G

S

A

I

I

V

I

N

N

T

L

G

S

S
|
S

V

V

L

V

G

G

Q

A

I

V

G

G

M

N

A

P

G

G

N
x
Q

A

A

A

N

Y
|
Y

S

V

A

A

S

T

K
|
K

A

A

A

G

V

V

E

I

G

G

L

L

T

T

R

K

T

S

A

A

A

A

I

R

E

E

V

L

A

A

A

S

S

R

G

G

V

I

R

T

V

V

N

N

A

A

V

V

C

A

P

P

A

G

I

F

I

I

Q

V

T

S

P

D

M

M

T

T

Q

D

G

A

S

L

F

-

G

-

G

S

A

D

E

E

Q

L

V

K

E

E

A

Q

V

M

L

L

G

T

R

Q

L

I

H

-

P

P

V

L

G

A

R

R

V

F

G

G

R

Q

P

D

E

T

E

D

V

I

A

A

A

N

A

T

V

V

L

A

W

F

L

L

C

A

S

S

D

D

S

K

A

A

G

K

F

Y

V

I

T

T

G

G

Q

Q

S

T

I

I

N

H

I

V

D

N

G

G

G

G

V

M

active site: G15 (= G14), S141 (= S139), Q151 (≠ N149), Y154 (= Y152), K158 (= K156)
binding magnesium ion: N89 (= N87), K158 (= K156)

6ihhA Crystal structure of rasadh f12 from ralstonia.Sp in complex with NADPH and a6o
37% identity, 99% coverage: 1:246/248 of query aligns to 4:247/249 of 6ihhA

query
sites
6ihhA

M

L

S

L

G

N

R

K

V

T

V

A

L

V

V

I

T

T

G
|
G

G

G

T
x
N

S
|
S

G
|
G

I
|
I

G

G

R

L

A

A

T

T

A

A

L

K

A

R

F

F

G

V

Q

A

A

E

G

G

A

A

T

Y

V

V

I

F

V

I

T

V

G

G

R
|
R

R
|
R

E

R

A

K

E

E

G

L

Q

E

E

Q

T

A

V

A

A

A

Q

E

I

I

G

G

H

R

A

N

G

V

G

-

V

-

G

-

S

T

F

A

V

V

A

K

A

A

D
|
D

V
|
V

A

T

D

K

A

L

A

E

E

D

V

L

A

D

A

R

L

L

F

Y

G

A

R

I

I

V

E

R

R

E

D

Q

H

R

G

G

R

S

L

I

D

D

A

V

A

L

F

F

N

A

N
|
N

A
x
S

G
|
G

I

A

H

V

Q

E

V

Q

A

K

P

T

L

L

T

E

E

E

M

I

D

T

D

P

S

E

A

H

F

Y

D

D

R

R

I

T

L

F

T

D

V
|
V

N

N

V

V

K

R

G

G

V

L

W

I

L

F

C

T

L

V

K

Q

H

K

E

A

L

L

A

P

I

L

M

L

K

-

R

R

Q

D

G

G

H

-

G

G

S

S

I

V

V

I

N

L

T
|
T

G

S

S
|
S

V

V

L

A

G

G

Q

V

I

L

G

G

M

L

A

Q

G

A

N
x
H

A

D

A

T

Y
|
Y

S

S

A

A

S

A

K
|
K

A

A

A

A

V

V

E

R

G

S

L

L

T

A

R

R

T

T

A

W

A

T

I

T

E

E

V

L

A

K

A

G

S

R

G

S

V

I

R

R

V

V

N

N

A

A

V

V

C

S

P
|
P

A
x
G

I
x
A

I
|
I

Q

D

T
|
T

P

P

M
x
S

T
x
L

Q

E

G

N

S

N

F

V

G

S

G

T

A

Q

E

E

Q

E

V

A

E

D

A

E

V

L

L

R

G

A

R

K

-

A

-

A

-

A

L

A

H

T

P

P

V

L

G

G

R

R

V

V

G

G

R

R

P

P

E

E

E

E

V

L

A

A

A

A

A

A

V

V

L

L

W

F

L

L

C

A

S

S

D

D

S

D

A

S

G

S

F

Y

V

V

T

A

G

G

Q

I

S

E

I

L

N

F

I

V

D

D

G

G

G

G

V
x
L

T

T

binding (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one: S137 (= S139), H147 (≠ N149), Y150 (= Y152), L188 (≠ T190), L246 (≠ V245)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G10), N15 (≠ T12), S16 (= S13), G17 (= G14), I18 (= I15), R38 (= R35), R39 (= R36), D60 (= D60), V61 (= V61), N87 (= N87), S88 (≠ A88), G89 (= G89), V110 (= V110), T135 (= T137), S137 (= S139), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (≠ A183), A182 (≠ I184), I183 (= I185), T185 (= T187), S187 (≠ M189)

1edoA The x-ray structure of beta-keto acyl carrier protein reductase from brassica napus complexed with NADP+ (see paper)
40% identity, 97% coverage: 5:245/248 of query aligns to 3:242/244 of 1edoA

query
sites
1edoA

V

V

V

V

L

V

V

V

T

T

G
|
G

G

A

T
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

G

G

Q

K

A

A

G

G

A

C

T

K

V

V

I

L

V

V

T
x
N

G
x
Y

R
x
A

R
|
R

E
x
S

A

A

E

K

G

A

Q

A

E

E

T

E

V

V

A

S

-

K

Q

Q

I

I

G

E

H

A

A

Y

G

G

G

G

V

Q

G

A

S

I

F

T

V

F

A

G

A

G

D
|
D

V
|
V

A

S

D

K

A

E

A

A

E

D

V

V

A

E

A

A

L

M

F

M

G

K

R

T

I

A

E

I

R

D

D

A

H

W

G

G

R

T

L

I

D

D

A

V

A

V

F

V

N

N

N
|
N

A
|
A

G

G

I

I

H

T

Q

R

V

D

A

T

P

L

L

L

T

I

E

R

M

M

D

K

D

K

S

S

A

Q

F

W

D

D

R

E

I

V

L

I

T

D

V

L

N

N

V

L

K

T

G

G

V

V

W

F

L

L

C

C

L

T

K

Q

H

A

E

A

L

T

A

K

I

I

M

M

K

M

R

K

Q

K

G

R

H

K

G

G

S

R

I

I

V

I

N

N

T

I

G

A

S
|
S

V

V

L

V

G

G

Q

L

I

I

G

G

M

N

A

I

G

G

N

Q

A

A

A

N

Y
|
Y

S

A

A

A

S

A

K
|
K

A

A

A

G

V

V

E

I

G

G

L

F

T

S

R

K

T

T

A

A

A

A

I

R

E

E

V

G

A

A

A

S

S

R

G

N

V

I

R

N

V

V

N

N

A

V

V

V

C

C

P
|
P

A
x
G

I

F

I
|
I

Q

A

T
x
S

P

D

M
|
M

T

T

Q

A

G

K

S

L

F

-

G

-

G

G

A

E

E

D

Q

M

V

E

E

K

A

K

V

I

L

L

G

G

R

T

L

I

H

-

P

P

V

L

G

G

R

R

V

T

G

G

R

Q

P

P

E

E

E

N

V

V

A

A

A

G

A

L

V

V

L

E

W

F

L

L

-

A

C

L

S

S

D

P

S

A

A

A

G

S

F

Y

V

I

T

T

G

G

Q

Q

S

A

I

F

N

T

I

I

D

D

G

G

G

G

V

I

active site: G12 (= G14), S138 (= S139), Y151 (= Y152), K155 (= K156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), S10 (≠ T12), R11 (≠ S13), I13 (= I15), N31 (≠ T33), Y32 (≠ G34), A33 (≠ R35), R34 (= R36), S35 (≠ E37), D59 (= D60), V60 (= V61), N86 (= N87), A87 (= A88), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (≠ A183), I184 (= I185), S186 (≠ T187), M188 (= M189)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
37% identity, 99% coverage: 1:245/248 of query aligns to 5:242/244 of 4nbuB

query
sites
4nbuB

M

L

S

Q

G

D

R

K

V

V

V

A

L

I

V

I

T

T

G
|
G

G

A

T

A

S
x
N

G
|
G

I
|
I

G

G

R

L

A

E

T

A

A

A

L

R

A

V

F

F

G

M

Q

K

A

E

G

G

A

A

T

K

V

V

I

V

V

I

T

A

G
x
D

R
x
F

R

N

E

E

A

A

E

A

G

G

Q

K

E

E

T

A

V

V

A

E

Q

-

I

-

G

A

H

N

A

P

G

G

G

V

V

V

G

-

S

-

F

F

V

I

A

R

A
x
V

D
|
D

V
|
V

A

S

D

D

A

R

A

E

E

S

V

V

A

H

A

R

L

L

F

V

G

E

R

N

I

V

E

A

R

E

D

R

H

F

G

G

R

K

L

I

D

D

A

I

A

L

F

I

N

N

N
|
N

A
|
A

G
|
G

I
|
I

H

T

Q

R

V
x
D

A

S

P

M

L

L

T

S

E
x
K

M

M

D

T

D

V

S

D

A

Q

F

F

D

Q

R

Q

I

V

L

I

T

N

V

V

N
|
N

V

L

K

T

G

G

V

V

W

F

L

H

C

C

L

T

K

Q

H

A

E

V

L

L

A

P

I

Y

M

M

K

A

R

E

Q

Q

G

G

H

K

G

G

S

K

I

I

V

I

N

N

T
|
T

G

S

S
|
S

V

V

L

T

G

G

Q

T

I

Y

G

G

M
x
N

A
x
V

G

G

N
x
Q

A

T

A

N

Y
|
Y

S

A

A

A

S

A

K
|
K

A

A

A

G

V

V

E

I

G

G

L

M

T

T

R

K

T

T

A

W

A

A

I

K

E

E

V

L

A

A

A

R

S

K

G

G

V

I

R

N

V

V

N

N

A

A

V

V

C

A

P
|
P

A

G

I
x
F

I
x
T

Q

E

T
|
T

P

A

M
|
M

T

V

Q

-

G

-

S

-

F

-

G

-

G

-

A

A

E

E

Q

V

V

P

E

E

A

K

V

V

L

I

G

E

R
x
K

L

M

H

K

-

A

-

Q

-

V

P

P

V

M

G

G

R

R

V

L

G

G

R

K

P

P

E

E

E

D

V

I

A

A

A

N

A

A

V

Y

L

L

W

F

L

L

C

A

S

S

D

H

S

E

A

S

G