SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011384008.1 NCBI__GCF_000009985.1:WP_011384008.1 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)

5el0A Crystal structure of an oxidoreductase (short chain dehydrogenase/reductase family) from brucella ovis in complex with a partially ordered NAD
47% identity, 97% coverage: 3:239/245 of query aligns to 1:223/223 of 5el0A

query
sites
5el0A

E

E

V

R

K

K

T

T

V

L

V

V

V

L

T

T

G
|
G

A

A

S
|
S

R

R

G
|
G

I

I

G

G

H

H

A

A

I

T

A

V

R

K

R

R

F

F

L

S

A

L

E

A

G

G

W

W

R

R

V

V

I

I

T

T

C

C

A
x
S

R
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R

A

Q

D

D

V

F

P

S

K

E

E

N

C

C

M

P

I

W

D

P

R

A

N

G

W

P

A

E

C

D

H

H

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I

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K

A
x
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D

L
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L

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D

P

P

A

E

S

D

A

I

Q

G

D

K

F

A

V

I

A

A

Q

E

A

I

N

R

A

R

W

R

L

L

G

E

A

A

E

N

-

G

-

S

P

K

L

L

H

H

A

A

L

L

V

V

N

N

A

A

G
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G

V
x
I

S

S

P

P

K

K

T

A

P

E

Y

G

K

G

E

R

R

R

L

M

G

N

V

S

L

I

N

E

G

T

P

P

I

M

D

A

G

V

W

W

K

R

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D

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V

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V

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N

F

F

F

M

A

A

P

P

L

I

R

M

L

L

A

A

R

R

G

G

F

L

A

F

S

K

A

E

L

L

H

E

R

A

G

A

K

Q

G

G

A

S

I

V

V

V

N

N

I

V

T

T

S
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S

I

I

A

A

G

G

H

S

Y

R

V

V

H

H

P

P

F

F

A
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A

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G

S

T

A

A

Y
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Y

S

A

T

T

S

S

K
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K

A

A

L

L

S

A

G

A

L

L

T

T

R

R

E

E

M

M

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D

M

F

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P

L

Y

G

G

V

I

R

R

V

V

N

N

A

A

V

I

A

A

P

P

G

G

E

E

I

I

R

D

T

T

E
x
A

M

I

I

-

S

-

A

-

E

-

Y

-

E

-

A

-

L

-

V

-

P

-

R

-

I

-

P

-

L

-

E

-

R

-

M
x
L

G

G

T

K

P

T

E

S

D

E

V

V

A

A

G

E

T

T

V

I

F

Y

R

F

L

L

C

C

G

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E

D

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S

Y

Y

V

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G

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H

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T

N

active site: G13 (= G15), S142 (= S142), A152 (= A152), Y156 (= Y156), K160 (= K160)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G9 (= G11), S11 (= S13), S33 (≠ A35), R34 (= R36), V53 (≠ A55), D54 (= D56), L55 (= L57), G87 (= G87), I88 (≠ V88), A192 (≠ E192), L194 (≠ M210)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
32% identity, 99% coverage: 3:244/245 of query aligns to 4:243/244 of 6t62A

query
sites
6t62A

E

E

V

R

K

K

T

V

V

A

V

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I

I

G

G

H

A

A

A

I

I

A

A

R

Q

F

L

L

I

A

Q

E

D

G

G

W

Y

R

F

V

V

I

V

T

G

C

T

A
|
A

R
x
T

A

S

D

E

V

S

P

G

K

A

E

Q

C

K

M

L

I

T

D

D

R

S

-

F

-

G

N

E

W

Q

A

G

C

A

H

G

I

L

V

A

A
x
L

D
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D

L
x
V

A

R

D

N

P

L

A

D

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E

A

I

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E

D

A

F

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V

A

S

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H

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I

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E

A

Q

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N

L

Y

G

G

A

-

E

-

P

P

L

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H

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A

V

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L

V

V

N

N

N
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N

A
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A

G
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G

V
x
I

S

T

P

-

K

-

T

-

P

-

Y

-

K

K

E

D

R

N

L

L

G

-

V

L

L

L

N

R

G

M

P

S

I

E

D

D

G

D

W

W

K

D

D

D

V

I

F

L

E

N

L

I

N

H

F

L

F

K

A

A

P

V

L

Y

R

R

L

L

A

S

R

K

G

R

F

V

A

L

S

K

A

G

L

M

H

T

R

K

G

A

K

R

-

F

G

G

A

R

I

I

V

I

N

N

I
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I

T
x
S

S
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S

I

V

A

V

G

A

H

H

Y

F

V

A

H

N

P

P

F

-

A

G

G

Q

S

A

A

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Y
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Y

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S

T

A

S

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K
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K

A

A

A

G

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E

G

A

L

F

T

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R

E

S

M

L

A

A

A

K

E

E

M

M

A

G

Q

S

L

R

G

Q

V

I

R

T

V

V

N

N

A

S

V

V

A

A

P
|
P

G
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G

E

F

I
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I

R

A

T

T

E

E

M
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M

I

T

S

D

A

A

E

L

Y

S

E

E

-

D

-

I

-

R

-

K

A

K

L

M

V

S

P

D

R

Q

I

V

P

A

L

L

E

N

R

R

M

L

G

G

T

E

P

P

E

Q

D

D

V

I

A

A

G

N

T

A

V

V

F

S

R

F

L

L

C

A

G

S

S

D

D

K

F

A

D

G

Y

Y

V

I

T

T

G

G

T

T

E

V

V

L

F

H

V

V

T

N

G

G

Q

L

H

Y

L

M

active site: G16 (= G15), S138 (= S142), Y151 (= Y156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G11), S14 (= S13), R15 (= R14), A36 (= A35), T37 (≠ R36), L58 (≠ A55), D59 (= D56), V60 (≠ L57), N86 (= N85), A87 (= A86), G88 (= G87), I89 (≠ V88), I136 (= I140), S137 (≠ T141), S138 (= S142), Y151 (= Y156), K155 (= K160), P181 (= P186), G182 (= G187), I184 (= I189), M188 (= M193)

6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
32% identity, 99% coverage: 3:244/245 of query aligns to 4:243/244 of 6wprA

query
sites
6wprA

E

E

V

R

K

K

T

V

V

A

V

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I

I

G

G

H

A

A

A

I

I

A

A

R

Q

F

L

L

I

A

Q

E

D

G

G

W

Y

R

F

V

V

I

V

T

G

C

T

A

A

R
x
T

A

S

D

E

V

S

P

G

K

A

E

Q

C

K

M

L

I

T

D

D

R

S

-

F

-

G

N

E

W

Q

A

G

C

A

H

G

I

L

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A

A
x
L

D
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D

L
x
V

A

R

D

N

P

L

A

D

S

E

A

I

Q

E

D

A

F

V

V

V

A

S

Q

H

A

I

N

E

A

Q

W

N

L

Y

G

G

A

-

E

-

P

P

L

V

H

L

A

V

L

L

V

V

N

N

N
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N

A
|
A

G
|
G

V
x
I

S

T

P

-

K

-

T

-

P

-

Y

-

K

K

E

D

R

N

L

L

G

-

V

L

L

L

N

R

G

M

P

S

I

E

D

D

G

D

W

W

K

D

D

D

V

I

F

L

E

N

L

I

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H

F

L

F

K

A

A

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Y

R

R

L

L

A

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R

K

G

R

F

V

A

L

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K

A

G

L

M

H

T

R

K

G

A

K

R

-

F

G

G

A

R

I

I

V

I

N

N

I
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I

T

S

S
|
S

I

V

A

V

G

A

H

H

Y

F

V

A

H

N

P

P

F

-

A

G

G

Q

S

A

A

N

Y
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Y

S

S

T

A

S

A

K
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K

A

A

A

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G

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A

A

K

E

E

M

M

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R

G

Q

V

I

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T

V

V

N

N

A

S

V

V

A

A

P
|
P

G

G

E

F

I

I

R

A

T

T

E

E

M

M

I

T

S

D

A

A

E

L

Y

S

E

E

-

D

-

I

-

R

-

K

A

K

L

M

V

S

P

D

R

Q

I

V

P

A

L

L

E

N

R

R

M

L

G

G

T

E

P

P

E

Q

D

D

V

I

A

A

G

N

T

A

V

V

F

S

R

F

L

L

C

A

G

S

S

D

D

K

F

A

D

G

Y

Y

V

I

T

T

G

G

T

T

E

V

V

L

F

H

V

V

T

N

G

G

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Y

L

M

active site: G16 (= G15), S138 (= S142), Y151 (= Y156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G11), S14 (= S13), R15 (= R14), T37 (≠ R36), L58 (≠ A55), D59 (= D56), V60 (≠ L57), N86 (= N85), A87 (= A86), G88 (= G87), I89 (≠ V88), I136 (= I140), Y151 (= Y156), K155 (= K160), P181 (= P186)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
33% identity, 99% coverage: 3:244/245 of query aligns to 4:243/244 of 6t77A

query
sites
6t77A

E

E

V

G

K

K

T

I

V

A

V

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I

I

G

G

H

R

A

A

I

I

A

A

R

E

R

T

F

L

L

V

A

A

E

R

G

G

W

A

R

K

V

V

I

I

T

G

C

T

A

A

R
x
T

A

S

D

E

V

S

P

G

K

A

E

Q

C

A

M

I

I

S

D

D

R

Y

N

L

W

G

A

A

C

N

H

G

-

K

-

G

I

L

V

M

A
x
L

D
x
N

L
x
V

A

T

D

D

P

P

A

A

S

S

A

I

Q

E

D

S

F

V

V

L

A

E

Q

N

A

V

N

R

A

A

W

E

L

F

G

G

A

-

E

-

P

E

L

V

H

D

A

I

L

L

V

V

N

N

A
|
A

G
|
G

V
x
I

S

T

P

-

K

-

T

-

P

-

Y

-

K

R

E

D

R

N

L

L

G

-

V

L

L

M

N

R

G

M

P

K

I

D

D

D

G

E

W

W

K

N

D

D

V

I

F

I

E

E

L

T

N

N

F

L

F

S

A

S

P

V

L

F

R

R

L

L

A

S

R

K

G

A

F

V

A

M

S

R

A

A

L

M

H

M

R

K

G

K

K

R

-

H

G

G

A

R

I

I

V

I

N

T

I

I

T

G

S
|
S

I

V

A

V

G

G

H

T

Y

M

V

G

H

N

P

-

F

-

A

A

G

G

S

Q

A

A

-

N

Y
|
Y

S

A

T

A

S

A

K

K

A

A

A

G

L

L

S

I

G

G

L

F

T

S

R

K

E

S

M

L

A

A

A

R

E

E

M

V

A

A

Q

S

L

R

G

G

V

I

R

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

E

F

I

I

R

E

T

T

E

D

M

M

I

T

S

R

A

A

-

L

-

T

-

D

-

E

E

Q

Y

R

E

A

A

G

L

T

V

L

P

A

R

A

I

V

P

P

L

A

E

G

R

R

M

L

G

G

T

T

P

P

E

N

D

E

V

I

A

A

G

S

T

A

V

V

F

A

R

F

L

L

C

A

G

S

S

D

D

E

F

A

D

S

Y

Y

V

I

T

T

G

G

T

E

E

T

V

L

F

H

V

V

T

N

G

G

Q

M

H

Y

L

M

active site: G16 (= G15), S138 (= S142), Y151 (= Y156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G11), S14 (= S13), R15 (= R14), T37 (≠ R36), L58 (≠ A55), N59 (≠ D56), V60 (≠ L57), A87 (= A86), G88 (= G87), I89 (≠ V88)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
32% identity, 98% coverage: 5:244/245 of query aligns to 2:239/239 of 3sj7A

query
sites
3sj7A

K

K

T

S

V

A

V

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

H

R

A

S

I

I

A

A

R

L

R

Q

F

L

L

A

A

E

E

E

G

G

W

Y

R

N

V

V

-

A

I

V

T
x
N

C
x
Y

A
|
A

R
x
G

A
x
S

D

K

V

E

P

K

K

A

E

E

C

A

M

V

I

V

D

E

R

E

N

I

W

K

A

A

-

K

-

G

-

V

-

D

-

S

C

F

H

A

I

I

V

Q

A
|
A

D
x
N

L
x
V

A

A

D

D

P

A

A

D

S

E

A

V

Q

K

D

A

F

M

V

I

A

K

Q

E

A

V

N

V

A

S

W

Q

L

F

G

G

A

S

E

-

P

-

L

L

H

D

A

V

L

L

V

V

N

N

N
|
N

A
|
A

G

G

V

I

S

T

P

-

K

-

T

-

P

-

Y

-

K

R

E

D

R

N

L

L

G

-

V

L

L

M

N

R

G

M

P

K

I

E

D

Q

G

E

W

W

K

D

D

D

V

V

F

I

E

D

L
x
T

N

N

F

L

F

K

A

G

P

V

L

F

R

N

-

C

L

I

A

Q

R

K

G

A

F

T

A

P

S

Q

A

M

L

L

H

R

R

Q

G

R

K

S

G

G

A

A

I

I

V

I

N

N

I

L

T

S

S
|
S

I

V

A

V

G

G

H

A

Y

V

V

G

H

N

P

P

F

-

A

G

G
x
Q

S

A

A

N

Y
|
Y

S

V

T

A

S

T

K
|
K

A

A

A

G

L

V

S

I

G

G

L

L

T

T

R

K

E

S

M

A

A

A

A

R

E

E

M

L

A

A

Q

S

L

R

G

G

V

I

R

T

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

E

F

I

I

R

V

T

S

E

D

M

M

I

T

S

D

A

E

E

L

Y

K

E

E

A

Q

L

M

V

L

P

T

R

Q

I

I

P

P

L

L

E

A

R

R

M

F

G

G

T

Q

P

D

E

T

D

D

V

I

A

A

G

N

T

T

V

V

F

A

R

F

L

L

C

A

G

S

S

D

D

K

F

A

D

K

Y

Y

V

I

T

T

G

G

T

Q

E

T

V

I

F

H

V

V

T

N

G

G

Q

M

H

Y

L

M

active site: G12 (= G15), S138 (= S142), Q148 (≠ G153), Y151 (= Y156), K155 (= K160)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G11), S10 (= S13), R11 (= R14), I13 (= I16), N31 (≠ T33), Y32 (≠ C34), A33 (= A35), G34 (≠ R36), S35 (≠ A37), A58 (= A55), N59 (≠ D56), V60 (≠ L57), N86 (= N85), A87 (= A86), T109 (≠ L114), S138 (= S142), Y151 (= Y156), K155 (= K160), P181 (= P186), G182 (= G187)

P0A2C9 3-oxoacyl-[acyl-carrier-protein] reductase FabG; 3-ketoacyl-acyl carrier protein reductase; Beta-Ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; EC 1.1.1.100 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see paper)
32% identity, 99% coverage: 3:244/245 of query aligns to 4:243/244 of P0A2C9

query
sites
P0A2C9

E

E

V

G

K

K

T

I

V

A

V

L

V

V

T

T

G

G

A

A

S

S

R

R

G

G

I

I

G

G

H

R

A

A

I

I

A

A

R

E

R

T

F

L

L

V

A

A

E

R

G

G

W

A

R

K

V

V

I

I

T

G

C

T

A

A

R

T

A

S

D

E

V

N

P

G

K

A

E

K

C

N

M

I

I

S

D

D

R

Y

N

L

W

G

A

A

C

N

H

G

-

K

-

G

I

L

V

M

A

L

D

N

L

V

A

T

D

D

P

P

A

A

S

S

A

I

Q

E

D

S

F

V

V

L

A

E

Q

N

A

I

N

R

A

A

W

E

L

F

G

G

A

-

E

-

P

E

L

V

H

D

A

I

L

L

V

V

N

N

A

A

G

G

V

I

S

T

P

-

K

-

T

-

P

-

Y

-

K

R

E

D

R

N

L

L

G

-

V

L

L

M

N

R

G

M

P

K

I

D

D

D

G

E

W

W

K

N

D

D

V

I

F

I

E

E

L

T

N

N

F

L

F

S

A

S

P

V

L

F

R

R

L

L

A

S

R

K

G

A

F

V

A

M

S

R

A

A

L
x
M

H

M

R

K

G

K

K

R

-

C

G

G

A

R

I

I

V

I

N

T

I

I

T

G

S

S

I

V

A

V

G

G

H

T

Y

M

V

G

H

N

P

-

F

-

A

A

G

G

S

Q

A

A

-

N

Y

Y

S

A

T

A

S

A

K

K

A

A

A

G

L

L

S

I

G

G

L

F

T

S

R

K

E

S

M

L

A

A

A

R

E

E

M

V

A

A

Q

S

L

R

G

G

V

I

R

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

E

F

I

I

R

E

T

T

E

D

M

M

I

T

S

R

A

A

-

L

-

S

-

D

E

Q

Y

R

E

A

A

G

L

I

V

L

P

A

R

Q

I

V

P

P

L

A

E

G

R

R

M

L

G

G

T

G

P

A

E

Q

D

E

V

I

A

A

G

S

T

A

V

V

F

A

R

F

L

L

C
x
A

G
x
S

S

D

D

E

F

A

D

S

Y

Y

V

I

T

T

G

G

T

E

E

T

V

L

F

H

V

V

T

N

G

G

Q

M

H

Y

L

M

M125 (≠ L130) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (≠ C224) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (≠ G225) mutation to F: Distorts the local conformation and prevent stacking around Phe-221. The S224F mutation would additionally disrupt the hydrogen bond formed between Ser-224 and Glu-226.

5t2uA Short chain dehydrogenase/reductase family protein (see paper)
35% identity, 98% coverage: 3:243/245 of query aligns to 5:239/241 of 5t2uA

query
sites
5t2uA

E

E

V

G

K

L

T

T

V

A

V

L

V

V

T

T

G
|
G

A

G

S

T

R

S

G
|
G

I

I

G

G

H

L

A

E

I

S

A

A

R

R

R

L

F

M

L

A

A

A

E

E

G

G

W

A

R

D

V

V

I

V

T

I

C

T

A

G

R
|
R

-
x
D

A

A

D

Q

V
x
R

P

G

K

E

E

Q

C

A

M

A

I

A

D

D

R

I

N

G

W

H

A

G

C

A

H

R

I

F

V

V

-

Q

A

A

D
|
D

L
|
L

A

G

D

D

P

L

A

D

S

S

A

V

Q

A

D

D

F

L

V

A

A

A

Q

Q

A

A

N

-

A

-

W

-

L

-

G

-

A

-

E

P

P

D

L

V

H

D

A

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

V

I

S
x
Y

P

P

K

Q

T

A

P

S

Y

-

K

-

E

-

R

-

L

-

G

-

V

T

L

F

N

D

G

Q

P

D

I

V

D

A

G

G

W

F

K

Q

D

Q

V

L

F

F

E

D

L

T

N

N

-

V

-

R

-

G

-

T

F

Y

F

F

A

L

P

V

L

A

R

A

L

A

A

A

R

K

G

G

F

M

A

V

S

A

A

-

L

-

H

-

R

R

G

G

K

H

G

G

A

S

I

I

V

V

N

N

I
|
I

T

T

S
x
T

I

L

A

A

G

A

H

H

Y

K

V

G

H

F

P

P

F

-

A

G

G
x
T

S

S

A

V

Y
|
Y

S

G

T

A

S

T

K
|
K

A

A

L

L

S

E

G

S

L

L

T

T

R

R

E

T

M

W

A

A

E

E

M

F

A

G

Q

A

L

N

G

G

V

V

R

R

V

V

N

N

A

S

V

V

A

S

P
|
P

G

G

E
x
P

I
x
T

R

R

T
|
T

-

P

-
x
T

-

L

E

E

M

Q

I

L

S

G

A

D

E

F

Y

I

E

D

A

D

L

V

V

A

P

A

R

G

I

L

P

P

L

L

E

R

R

R

M

T

G

A

T

A

P

P

E

E

D

E

V

I

A

A

G

Q

T

A

V

V

F

L

R

F

L

L

C

A

G

S

S

P

D

R

F

A

D

S

Y

F

V

V

T

T

G

G

T

S

E

T

V

L

F

Y

V

V

T

D

G

G

Q

G

H

Y

active site: G17 (= G15), T135 (≠ S142), T145 (≠ G153), Y148 (= Y156), K152 (= K160)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G11), G17 (= G15), R38 (= R36), D39 (vs. gap), R42 (≠ V39), D60 (= D56), L61 (= L57), N83 (= N85), A84 (= A86), Y87 (≠ S89), I133 (= I140), T135 (≠ S142), Y148 (= Y156), K152 (= K160), P178 (= P186), P180 (≠ E188), T181 (≠ I189), T183 (= T191), T185 (vs. gap), T186 (vs. gap)

5fffA Noroxomaritidine/norcraugsodine reductase in complex with NADP+ and piperonal (see paper)
32% identity, 99% coverage: 3:244/245 of query aligns to 10:255/257 of 5fffA

query
sites
5fffA

E

E

V

G

K

T

T

T

V

A

V

L

V

V

T

T

G
|
G

A

G

S
x
T

R

K

G
|
G

I
|
I

G

G

H

H

A

A

I

I

A

V

R

E

F

L

L

V

A

G

E

F

G

G

W

A

R

R

V

V

I

Y

T

T

C

C

A

S

R
|
R

A

N

D

E

V

A

P

E

-

L

K

R

E

K

C

C

M

L

I

Q

D

E

-

W

R

E

N

N

W

L

A

K

C

Y

H

D

I

V

V

T

A

G

D

S

L

V

A
x
C

D
|
D

P
x
V

A

S

S

S

-

R

-

T

A

E

Q

R

D

E

F

K

V

L

A

A

Q

E

A

E

N

V

A

S

W

S

L

V

G

F

A

N

E

G

P

K

L

L

H

N

A

I

L

L

V

I

N

N

N
|
N

A

A

G

G

V

-

S

-

P

-

K

-

T

-

P

-

Y

-

K

-

E

-

R

-

L

-

G

G

V
x
Y

L

V

N

N

G

K

P

P

I

I

D

D

G

G

W

F

K

T

D

-

V

A

F

E

E

D

L

F

N

S

F

F

F

L

A

V

P

A

L

V

R

N

L

L

A

E

R

S

G

A

F

F

-

H

-

L

A

C

S

Q

A

L

L

A

H

H

-

P

-

M

-

L

-

K

-

A

R

S

G

G

K

T

G

G

A

S

I

I

V

V

N

H

I
|
I

T

S

S

S

I

C

A

C

G

A

H

Q

Y

I

V

A

H

I

P

P

F

-

A

G

G
x
H

S

S

A

I

Y
|
Y

S

S

T

S

S

T

K
|
K

A

G

A

A

L

I

S

N

G

Q

L

L

T

T

R

R

E

N

M

L

A

A

A

C

E

E

M

W

A

A

Q

K

L

D

G

N

V

I

R

R

V

T

N

N

A

S

V

I

A

A

P
|
P

G

G

E
x
A

I
|
I

R

R

-
x
T

-

P

-
x
G

T
|
T

E

E

M

S

I

F

S

V

A

I

E

D

Y
x
K

E

D

A

A

L

L

-

D

-

R

-

E

V

V

P

S

R

R

I

V

P

P

L

F

E

G

R

R

M

I

G

G

T

E

P

P

E

E

D

E

V

V

A

A

G

S

T

L

V

A

F

A

R

F

L

L

C

C

G

M

S

P

D

S

F

A

D

S

Y

Y

V

I

T

T

G

G

T

Q

E

V

V

I

F

C

V

V

T

D

G

G

Q

R

H

T

L

I

active site: K206 (≠ Y198)
binding 1,3-benzodioxole-5-carbaldehyde: Y100 (≠ V100), H158 (≠ G153)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G11), T20 (≠ S13), G22 (= G15), I23 (= I16), R43 (= R36), C67 (≠ A58), D68 (= D59), V69 (≠ P60), N96 (= N85), I146 (= I140), Y161 (= Y156), K165 (= K160), P191 (= P186), A193 (≠ E188), I194 (= I189), T196 (vs. gap), G198 (vs. gap), T199 (= T191)

5ff9B Noroxomaritidine/norcraugsodine reductase in complex with NADP+ and tyramine (see paper)
32% identity, 99% coverage: 3:244/245 of query aligns to 10:255/257 of 5ff9B

query
sites
5ff9B

E

E

V

G

K

T

T

T

V

A

V

L

V

V

T

T

G
|
G

A

G

S
x
T

R
x
K

G

G

I
|
I

G

G

H

H

A

A

I

I

A

V

R

E

F

L

L

V

A

G

E

F

G

G

W

A

R

R

V

V

I

Y

T

T

C

C

A
x
S

R
|
R

A

N

D

E

V

A

P

E

-

L

K

R

E

K

C

C

M

L

I

Q

D

E

-

W

R

E

N

N

W

L

A

K

C

Y

H

D

I

V

V

T

A

G

D

S

L

V

A
x
C

D
|
D

P
x
V

A

S

S

S

-

R

-

T

A

E

Q

R

D

E

F

K

V

L

A

A

Q

E

A

E

N

V

A

S

W

S

L

V

G

F

A

N

E

G

P

K

L

L

H

N

A

I

L

L

V

I

N

N

N
|
N

A

A

G

G

V

-

S

-

P

-

K

-

T

-

P

-

Y

-

K

-

E

-

R

-

L

-

G

G

V
x
Y

L

V

N

N

G

K

P

P

I

I

D

D

G

G

W

F

K

T

D

-

V

A

F

E

E

D

L

F

N

S

F

F

F

L

A

V

P

A

L

V

R

N

L

L

A

E

R

S

G

A

F

F

-

H

-

L

A

C

S

Q

A

L

L

A

H

H

-

P

-

M

-

L

-

K

-

A

R

S

G

G

K

T

G

G

A

S

I

I

V

V

N

H

I
|
I

T

S

S
|
S

I

C

A

C

G

A

H

Q

Y

I

V

A

H
x
I

P

P

F

-

A

G

G
x
H

S

S

A

I

Y
|
Y

S

S

T

S

S

T

K
|
K

A

G

A

A

L

I

S

N

G

Q

L

L

T

T

R

R

E

N

M

L

A

A

A

C

E

E

M

W

A

A

Q

K

L

D

G

N

V

I

R

R

V

T

N

N

A

S

V

I

A

A

P
|
P

G

G

E
x
A

I
|
I

R

R

-
x
T

-

P

-
x
G

T
|
T

E

E

M

S

I

F

S

V

A

I

E

D

Y
x
K

E

D

A

A

L

L

-

D

-

R

-

E

V

V

P

S

R

R

I

V

P

P

L

F

E

G

R

R

M

I

G

G

T

E

P

P

E

E

D

E

V

V

A

A

G

S

T

L

V

A

F

A

R

F

L

L

C

C

G

M

S

P

D

S

F

A

D

S

Y

Y

V

I

T

T

G

G

T

Q

E

V

V

I

F

C

V

V

T

D

G

G

Q

R

H

T

L

I

active site: K206 (≠ Y198)
binding 4-(2-aminoethyl)phenol: Y100 (≠ V100), I155 (≠ H149), H158 (≠ G153)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G11), T20 (≠ S13), K21 (≠ R14), I23 (= I16), S42 (≠ A35), R43 (= R36), C67 (≠ A58), D68 (= D59), V69 (≠ P60), N96 (= N85), I146 (= I140), S148 (= S142), Y161 (= Y156), K165 (= K160), P191 (= P186), A193 (≠ E188), I194 (= I189), T196 (vs. gap), G198 (vs. gap), T199 (= T191)

A0A1A9TAK5 Noroxomaritidine/norcraugsodine reductase; NorRed; EC 1.1.1.- from Narcissus pseudonarcissus (Daffodil) (see paper)
32% identity, 99% coverage: 3:244/245 of query aligns to 10:255/257 of A0A1A9TAK5

query
sites
A0A1A9TAK5

E

E

V

G

K

T

T

T

V

A

V

L

V

V

T

T

G

G

A

G

S
x
T

R
x
K

G
|
G

I
|
I

G

G

H

H

A

A

I

I

A

V

R

E

F

L

L

V

A

G

E

F

G

G

W

A

R

R

V

V

I

Y

T

T

C

C

A
x
S

R
|
R

A

N

D

E

V

A

P

E

-

L

K

R

E

K

C

C

M

L

I

Q

D

E

-

W

R

E

N

N

W

L

A

K

C

Y

H

D

I

V

V

T

A

G

D

S

L

V

A

C

D
|
D

P
x
V

A

S

S

S

-

R

-

T

A

E

Q

R

D

E

F

K

V

L

A

A

Q

E

A

E

N

V

A

S

W

S

L

V

G

F

A

N

E

G

P

K

L

L

H

N

A

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

V

-

S

-

P

-

K

-

T

-

P

-

Y

-

K

-

E

-

R

-

L

-

G

G

V
x
Y

L

V

N

N

G

K

P

P

I

I

D

D

G

G

W

F

K

T

D

-

V

A

F

E

E

D

L

F

N

S

F

F

F

L

A

V

P

A

L

V

R

N

L

L

A

E

R

S

G

A

F

F

-

H

-

L

A

C

S

Q

A

L

L

A

H

H

-

P

-

M

-

L

-

K

-

A

R

S

G

G

K

T

G

G

A

S

I

I

V

V

N

H

I

I

T

S

S

S

I
x
C

A

C

G

A

H

Q

Y

I

V

A

H

I

P

P

F

-

A

G

G

H

S

S

A

I

Y
|
Y

S

S

T

S

S

T

K
|
K

A

G

A

A

L

I

S

N

G

Q

L

L

T

T

R

R

E

N

M

L

A

A

A

C

E

E

M

W

A

A

Q

K

L

D

G

N

V

I

R

R

V

T

N

N

A

S

V

I

A

A

P

P

G

G

E

A

I
|
I

R
|
R

-
x
T

-
x
P

-
x
G

T
|
T

E

E

M

S

I

F

S

V

A

I

E

D

Y

K

E

D

A

A

L

L

-

D

-

R

-

E

V

V

P

S

R

R

I

V

P

P

L

F

E

G

R

R

M

I

G

G

T

E

P

P

E

E

D

E

V

V

A

A

G

S

T

L

V

A

F

A

R

F

L

L

C

C

G

M

S

P

D

S

F

A

D

S

Y

Y

V

I

T

T

G

G

T

Q

E

V

V

I

F

C

V

V

T

D

G

G

Q

R

H

T

L

I

TKGI 20:23 (≠ SRGI 13:16) binding
SR 42:43 (≠ AR 35:36) binding
DV 68:69 (≠ DP 59:60) binding
NAG 96:98 (= NAG 85:87) binding
Y100 (≠ V100) binding
C149 (≠ I143) binding
Y161 (= Y156) binding
K165 (= K160) binding
IRTPGT 194:199 (≠ IR---T 189:191) binding

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
32% identity, 100% coverage: 1:244/245 of query aligns to 1:246/246 of 3osuA

query
sites
3osuA

M

M

S

K

E

M

V

T

K

K

T

S

V

A

V

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

H

R

A

S

I

I

A

A

R

L

R

Q

F

L

L

A

A

E

E

E

G

G

W

Y

R

N

V

V

-

A

I

V

T

N

C

Y

A

A

R

G

A

S

D

K

V

E

P

K

K

A

E

E

C

A

M

V

I

V

D

E

R

E

N

I

W

K

A

A

-

K

-

G

-

V

-

D

-

S

C

F

H

A

I

I

V

Q

A

A

D

N

L

V

A

A

D

D

P

A

A

D

S

E

A

V

Q

K

D

A

F

M

V

I

A

K

Q

E

A

V

N

V

A

S

W

Q

L

F

G

G

A

S

E

-

P

-

L

L

H

D

A

V

L

L

V

V

N

N

N
|
N

A

A

G

G

V

I

S

T

P

-

K

-

T

-

P

-

Y

-

K

R

E

D

R

N

L

L

G

-

V

L

L

M

N

R

G

M

P

K

I

E

D

Q

G

E

W

W

K

D

D

D

V

V

F

I

E

D

L

T

N

N

F

L

F

K

A

G

P

V

L

F

R

N

-

C

L

I

A

Q

R

K

G

A

F

T

A

P

S

Q

A

M

L

L

H

R

R

Q

G

R

K

S

G

G

A

A

I

I

V

I

N

N

I

L

T

S

S
|
S

I

V

A

V

G

G

H

A

Y

V

V

G

H

N

P

P

F

-

A

G

G
x
Q

S

A

A

N

Y
|
Y

S

V

T

A

S

T

K
|
K

A

A

A

G

L

V

S

I

G

G

L

L

T

T

R

K

E

S

M

A

A

A

A

R

E

E

M

L

A

A

Q

S

L

R

G

G

V

I

R

T

V

V

N

N

A

A

V

V

A

A

P

P

G

G

E

F

I

I

R

V

T

S

E

D

M

M

I

T

S

D

A

A

-

L

-

S

-

D

-

E

E

L

Y

K

E

E

A

Q

L

M

V

L

P

T

R

Q

I

I

P

P

L

L

E

A

R

R

M

F

G

G

T

Q

P

D

E

T

D

D

V

I

A

A

G

N

T

T

V

V

F

A

R

F

L

L

C

A

G

S

S

D

D

K

F

A

D

K

Y

Y

V

I

T

T

G

G

T

Q

E

T

V

I

F

H

V

V

T

N

G

G

Q

M

H

Y

L

M

active site: G15 (= G15), S141 (= S142), Q151 (≠ G153), Y154 (= Y156), K158 (= K160)
binding magnesium ion: N89 (= N85), K158 (= K160)

2d1yA Crystal structure of tt0321 from thermus thermophilus hb8 (see paper)
38% identity, 97% coverage: 5:241/245 of query aligns to 6:235/240 of 2d1yA

query
sites
2d1yA

K

K

T

G

V

V

V

L

V

V

T

T

G
|
G

A

G

S

A

R
|
R

G
|
G

I
|
I

G

G

H

R

A

A

I

I

A

A

R

Q

R

A

F

F

L

A

A

R

E

E

G

G

W

A

R

L

V

V

I

A

T

L

C

C

A
x
D

R
x
L

A
x
R

D

P

V

E

P

G

K

K

E

E

C

V

M

A

I

E

D

A

R

I

N

G

W

G

A

A

C

F

H

F

I

Q

V
|
V

A

-

D
|
D

L
|
L

A

E

D

D

P

E

A

R

S

E

A

R

Q

V

D

R

F

F

V

V

A

E

Q

E

A

A

N

A

A

Y

W

A

L

L

G

G

A

-

E

-

P

R

L

V

H

D

A

V

L

L

V

V

N

N

N
|
N

A
|
A

G
x
A

V
x
I

S

A

-

A

P

P

K

G

T

S

P

A

Y

L

K

T

E

V

R

R

L

L

G

-

V

-

L

-

N

-

G

-

P

-

I

-

D

P

G

E

W

W

K

R

D

R

V

V

F

L

E

E

L

V

N

N

F

L

F

T

A

A

P

P

L

M

R

H

L

L

A

S

R

A

G

L

F

A

A

A

S

R

A

E

L

M

H

R

R

K

-

V

G

G

K

G

G

G

A

A

I

I

V

V

N

N

I
x
V

T

A

S
|
S

I

V

A

Q

G

G

H

L

Y

F

V

A

H

E

P

Q

F

-

A

E

G
x
N

S

A

A

A

Y
|
Y

S

N

T

A

S

S

K
|
K

A

G

L

L

S

V

G

N

L

L

T

T

R

R

E

S

M

L

A

A

A

L

E

D

M

L

A

A

Q

P

L

L

G

R

V

I

R

R

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

E

A

I
|
I

R

A

T
|
T

E

E

M
x
A

I
x
V

S

-

A

-

E

-

Y

L

E

E

A

A

L

I

V

A

P

R

R

R

I

D

-

W

-

E

-

D

-

L

-

H

P

A

L

L

E

R

R

R

M

L

G

G

T

K

P

P

E

E

D

E

V

V

A

A

G

E

T

A

V

V

F

L

R

F

L

L

C

A

G

S

S

E

D

K

F

A

D

S

Y

F

V

I

T

T

G

G

T

A

E

I

V

L

F

P

V

V

T

D

G

G

active site: G16 (= G15), S135 (= S142), N145 (≠ G153), Y148 (= Y156), K152 (= K160)
binding nicotinamide-adenine-dinucleotide: G12 (= G11), R15 (= R14), I17 (= I16), D36 (≠ A35), L37 (≠ R36), R38 (≠ A37), V55 (= V54), D56 (= D56), L57 (= L57), N83 (= N85), A84 (= A86), A85 (≠ G87), I86 (≠ V88), V133 (≠ I140), S135 (= S142), Y148 (= Y156), K152 (= K160), P178 (= P186), G179 (= G187), I181 (= I189), T183 (= T191), A185 (≠ M193), V186 (≠ I194)

4k6fB X-ray crystal structure of a putative acetoacetyl-coa reductase from burkholderia cenocepacia bound to the co-factor NADP
31% identity, 98% coverage: 5:245/245 of query aligns to 2:245/245 of 4k6fB

query
sites
4k6fB

K

R

T

I

V

A

V

V

T

T

G
|
G

A

G

S

M

R

G

G
|
G

I

L

G

G

H

E

A

A

I

V

A

S

R

I

R

R

F

L

L

N

A

D

E

A

G

G

W

H

R

R

V

V

I

V

T

V

C

T

A
x
Y

R
x
S

A

-

D

-

V

-

P

P

K

N

E
x
N

C

T

M

G

I

A

D

D

R

R

N

-

W

W

A

L

C

T

H

E

I

M

V

H

A

A

-

A

-

G

-

R

-

E

-

F

-

H

-

A

-

Y

-

P

-
x
V

D
|
D

L
x
V

A

A

D

D

P

H

A

D

S

S

A

C

Q

Q

D

Q

F

C

V

I

A

E

Q

K

A

I

N

V

A

R

W

D

L

V

G

G

A

-

E

-

P

P

L

V

H

D

A

I

L

L

V

V

N

N

A
|
A

G
|
G

V
x
I

S

T

P

R

K

D

T

M

P

T

Y

L

K

R

E

-

R

K

L

L

G

D

V

K

L

V

N
|
N

G

-

P

-

I

-

D

-

G

-

W

W

K

D

D

A

V

V

F

I

E

R

L

T

N

N

F

L

F

D

A

S

P

V

L

F

R

N

L

M

A

T

R

K

G

P

F

V

A

C

S

D

A

G

L

M

-

V

H

E

R

R

G

G

K

W

G

G

A

R

I

I

V

V

N

N

I

I

T

S

S
|
S

I

V

A

N

G

G

H

S

Y

K

V

-

H

G

P

S

F

V

A

G

G

Q

S

T

A

N

Y
|
Y

S

A

T

A

S

A

K
|
K

A

A

A

G

L

M

S

H

G

G

L

F

T

T

R

K

E

S

M

L

A

A

A

L

E

E

M

I

A

A

Q

R

L

K

G

G

V

V

R

T

V

V

N

N

A

T

V

V

A

S

P

P

G

G

E

Y

I

L

R

A

T

T

E

K

M

M

I

V

S

T

A

A

E

I

Y

P

E

Q

-

D

-

I

-

L

-

D

-

T

A

K

L

I

V

L

P

P

R

Q

I

I

P

P

L

A

E

G

R

R

M

L

G

G

T

K

P

P

E

E

D

E

V

V

A

A

G

A

T

L

V

V

F

A

R

Y

L

L

C

C

G

S

S

E

D

E

F

A

D

G

Y

F

V

V

T

T

G

G

T

S

E

N

V

I

F

A

V

I

T

N

G

G

Q

Q

H

H

L

M

Y

H

active site: G12 (= G15), N102 (= N102), S138 (= S142), Y151 (= Y156), K155 (= K160)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G11), Y32 (≠ A35), S33 (≠ R36), N36 (≠ E42), V58 (vs. gap), D59 (= D56), V60 (≠ L57), A87 (= A86), G88 (= G87), I89 (≠ V88)

P0AEK2 3-oxoacyl-[acyl-carrier-protein] reductase FabG; 3-ketoacyl-acyl carrier protein reductase; Beta-Ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; EC 1.1.1.100 from Escherichia coli (strain K12) (see 2 papers)
32% identity, 99% coverage: 3:244/245 of query aligns to 4:243/244 of P0AEK2

query
sites
P0AEK2

E

E

V

G

K

K

T

I

V

A

V

L

V

V

T

T

G
|
G

A
|
A

S
|
S

R
|
R

G

G

I

I

G

G

H

R

A

A

I

I

A

A

R

E

R

T

F

L

L

A

A

A

E

R

G

G

W

A

R

K

V

V

I

I

T

G

C

T

A

A

R
x
T

A

S

D

E

V

N

P

G

K

A

E

Q

C

A

M

I

I

S

D

D

R

Y

N

L

W

G

A

A

C

N

H

G

-

K

-

G

I

L

V

M

A

L

D
x
N

L
x
V

A

T

D

D

P

P

A

A

S

S

A

I

Q

E

D

S

F

V

V

L

A

E

Q

K

A

I

N

R

A

A

W

E

L

F

G

G

A

-

E

-

P

E

L

V

H

D

A

I

L

L

V

V

N

N

N
|
N

A

A

G

G

V

I

S

T

P

-

K

-

T

-

P

-

Y

-

K

R

E

D

R

N

L

L

G

-

V

L

L

M

N

R

G

M

P

K

I

D

D

E

G

E

W

W

K

N

D

D

V

I

F

I

E

E

L

T

N

N

F

L

F

S

A

S

P

V

L

F

R

R

L

L

A

S

R

K

G

A

F

V

A

M

S

R

A

A

L

M

H

M

R

K

G

K

K

R

-

H

G

G

A

R

I

I

V

I

N

T

I

I

T

G

S

S

I

V

A

V

G

G

H

T

Y

M

V

G

H

N

P

-

F

-

A

G

G

G

S

Q

A

A

-

N

Y
|
Y

S
x
A

T
x
A

S
x
A

K
|
K

A

A

A

G

L

L

S

I

G

G

L

F

T

S

R

K

E

S

M

L

A

A

A

R

E

E

M

V

A

A

Q

S

L

R

G

G

V

I

R

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

E

F

I
|
I

R

E

T

T

E

D

M

M

I

T

S

R

A

A

-

L

-

S

-

D

E

Q

Y

R

E

A

A

G

L

I

V

L

P

A

R

Q

I

V

P

P

L

A

E

G

R

R

M

L

G

G

T

G

P

A

E

Q

D

E

V

I

A

A

G

N

T

A

V

V

F

A

R

F

L

L

C

A

G

S

S

D

D

E

F

A

D

A

Y

Y

V

I

T

T

G

G

T
x
E

E

T

V

L

F

H

V

V

T

N

G

G

Q

M

H

Y

L

M

GASR 12:15 (= GASR 11:14) binding
T37 (≠ R36) binding
NV 59:60 (≠ DL 56:57) binding
N86 (= N85) binding
Y151 (= Y156) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YSTSK 156:160) binding
A154 (≠ S159) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K160) mutation to A: Defect in the affinity for NADPH.
I184 (= I189) binding
E233 (≠ T234) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
32% identity, 99% coverage: 3:244/245 of query aligns to 3:242/243 of 7emgB

query
sites
7emgB

E

E

V

G

K

K

T

I

V

V

V

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G

G

I

I

G

G

H

R

A

A

I

I

A

A

R

E

R

T

F

F

L

V

A

A

E

R

G

G

W

A

R

K

V

V

I

I

T

G

C

T

A

A

R
x
T

A

S

D

E

V

S

P

G

K

A

E

E

C

A

M

I

-

S

-

G

-

Y

I

L

D

G

R

A

N

N

W

G

A

K

C

G

H

F

I

M

V

L

A

-

D
x
N

L
x
V

A

K

D

D

P

A

A

Q

S

S

A

I

Q

D

D

S

F

V

V

L

A

A

Q

S

A

I

N

R

A

A

W

E

L

F

G

G

A

-

E

-

P

E

L

I

H

D

A

I

L

L

V

V

N

N

A

A

G

G

V
x
I

S

T

P

-

K

-

T

-

P

-

Y

-

K

R

E

D

R

N

L

L

G

-

V

L

L

M

N

R

G

M

P

K

I

D

D

D

G

E

W

W

K

E

D

D

V

I

F

L

E

D

L

T

N

N

F

L

F

T

A

S

P

V

L

F

R

R

L

L

A

S

R

K

G

A

F

V

A

M

S

C

A

A

L

M

H

M

R

K

G

K

K

R

-

F

G

G

A

R

I

I

V

I

N

T

I

I

T

G

S

S

I

V

A

V

G

G

H

T

Y

M

V

G

H

N

P

-

F

-

A

A

G

G

S

Q

A

A

-

N

Y

Y

S

A

T

A

S

A

K

K

A

A

A

G

L

L

S

I

G

G

L

F

T

S

R

K

E

S

M

L

A

A

A

R

E

E

M

V

A

A

Q

S

L

R

G

G

V

I

R

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

E

Y

I

I

R

E

T

T

E

D

M

M

I

T

S

R

A

A

-

L

-

T

-

D

E

Q

Y

R

E

A

A

G

L

I

V

L

P

S

R

S

I

V

P

P

L

A

E

N

R

R

M

P

G

G

T

D

P

A

E

K

D

E

V

I

A

A

G

S

T

A

V

V

F

A

R

F

L

L

C

A

G

S

S

D

D

E

F

A

D

G

Y

Y

V

I

T

T

G

G

T

E

E

T

V

L

F

H

V

V

T

N

G

G

Q

M

H

Y

L

M

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G11), S13 (= S13), R14 (= R14), T36 (≠ R36), N58 (≠ D56), V59 (≠ L57), I88 (≠ V88)

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
32% identity, 99% coverage: 3:244/245 of query aligns to 3:242/243 of 1q7bA

query
sites
1q7bA

E

E

V

G

K

K

T

I

V

A

V

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I

I

G

G

H

R

A

A

I

I

A

A

R

E

R

T

F

L

L

A

A

A

E

R

G

G

W

A

R

K

V

V

I

I

T

G

C

T

A

A

R
x
T

A

S

D

E

V

N

P

G

K

A

E

Q

C

A

M

I

I

S

D

D

R

Y

N

L

W

G

A

A

C

N

H

G

-

K

-

G

I

L

V

M

A

L

D
x
N

L
x
V

A

T

D

D

P

P

A

A

S

S

A

I

Q

E

D

S

F

V

V

L

A

E

Q

K

A

I

N

R

A

A

W

E

L

F

G

G

A

-

E

-

P

E

L

V

H

D

A

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

V
x
I

S

T

P

-

K

-

T

-

P

-

Y

-

K

R

E

D

R

N

L

L

G

-

V

L

L

M

N

R

G

M

P

K

I

D

D

E

G
x
E

W

W

K

N

D

D

V

I

F

I

E

E

L

T

N

N

F

L

F

S

A

S

P

V

L

F

R

R

L

L

A

S

R

K

G

A

F

V

A

M

S

R

A

A

L

M

H

M

R

K

G

K

K

R

-

H

G

G

A

R

I

I

V

I

N

T

I

I

T

G

S
|
S

I

V

A

V

G

G

H

T

Y

M

V

G

H

N

P

-

F

-

A

G

G

G

S
x
Q

A

A

-

N

Y
|
Y

S

A

T

A

S

A

K
|
K

A

A

A

G

L

L

S

I

G

G

L

F

T

S

R

K

E

S

M

L

A

A

A

R

E

E

M

V

A

A

Q

S

L

R

G

G

V

I

R

T

V

V

N

N

A

V

V

V

A

A

P
|
P

G
|
G

E

F

I
|
I

R

E

T

T

E

D

M

M

I

T

S

R

A

A

-

L

-

S

-

D

E

Q

Y

R

E

A

A

G

L

I

V

L

P

A

R

Q

I

V

P

P

L

A

E

G

R

R

M

L

G

G

T

G

P

A

E

Q

D

E

V

I

A

A

G

N

T

A

V

V

F

A

R

F

L

L

C

A

G

S

S

D

D

E

F

A

D

A

Y

Y

V

I

T

T

G

G

T
x
E

E
x
T

V

L

F

H

V

V

T

N

G

G

Q

M

H

Y

L

M

active site: G15 (= G15), E101 (≠ G107), S137 (= S142), Q147 (≠ S154), Y150 (= Y156), K154 (= K160)
binding calcium ion: E232 (≠ T234), T233 (≠ E235)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G11), S13 (= S13), R14 (= R14), T36 (≠ R36), N58 (≠ D56), V59 (≠ L57), N85 (= N85), A86 (= A86), G87 (= G87), I88 (≠ V88), S137 (= S142), Y150 (= Y156), K154 (= K160), P180 (= P186), G181 (= G187), I183 (= I189)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
31% identity, 99% coverage: 3:244/245 of query aligns to 7:242/243 of 4i08A

query
sites
4i08A

E

E

V

G

K

K

T

V

V

A

V

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

H

K

A

A

I

I

A

A

R

E

R

L

F

L

L

A

A

E

E

R

G

G

W

A

R

K

V

V

I

I

T

G

C

T

A

A

R
x
T

A

S

D

E

V

S

P

G

K

A

E

Q

C

A

M

I

I

S

D

D

R

Y

-

L

-

G

N

D

W

N

A

G

C

K

H

G

I

M

V

A

A

L

D
x
N

L
x
V

A

T

D

N

P

P

A

E

S

S

A

I

Q

E

D

A

F

V

V

L

A

K

Q

A

A

I

N

T

A

D

W

E

L

F

G

G

A

G

E

-

P

-

L

V

H

D

A

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

V

I

S

T

P

-

K

-

T

-

P

-

Y

-

K

R

E

D

R

N

L

L

G

-

V

L

L

M

N

R

G

M

P

K

I

E

D

E

G

E

W

W

K

S

D

D

V

I

F

M

E

E

L

T

N
|
N

F

L

F

T

A

S

P

I

L

F

R

R

L

L

A

S

R

K

G

A

-

V

F

L

A

R

S

G

A

M

L

M

H

K

R

K

G

R

K

Q

G

G

A

R

I

I

V

I

N

N

I

V

T
x
G

S
|
S

I

V

A

V

G

G

H

T

Y

M

V

G

H

N

P

-

F

-

A

A

G

G

S
x
Q

A

A

-

N

Y
|
Y

S

A

T

A

S

A

K
|
K

A

A

A

G

L

V

S

I

G

G

L

F

T

T

R

K

E

S

M

M

A

A

A

R

E

E

M

V

A

A

Q

S

L

R

G

G

V

V

R

T

V

V

N

N

A

T

V

V

A

A

P
|
P

G
|
G

E

F

I

I

R

E

T
|
T

E

D

M

M

I

N

S

D

A

E

E

Q

Y

R

E

T

A

A

L

T

V

L

P

A

R

Q

I

V

P

P

L

A

E

G

R

R

M

L

G

G

T

D

P

P

E

R

D

E

V

I

A

A

G

S

T

A

V

V

F

A

R

F

L

L

C

A

G

S

S

P

D

E

F

A

D

A

Y

Y

V

I

T

T

G

G

T

E

E

T

V

L

F

H

V

V

T

N

G

G

Q

M

H

Y

L

M

active site: G19 (= G15), N113 (= N115), S141 (= S142), Q151 (≠ S154), Y154 (= Y156), K158 (= K160)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G11), S17 (= S13), R18 (= R14), I20 (= I16), T40 (≠ R36), N62 (≠ D56), V63 (≠ L57), N89 (= N85), A90 (= A86), G140 (≠ T141), S141 (= S142), Y154 (= Y156), K158 (= K160), P184 (= P186), G185 (= G187), T189 (= T191)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
31% identity, 99% coverage: 3:244/245 of query aligns to 3:242/243 of 1q7cA

query
sites
1q7cA

E

E

V

G

K

K

T

I

V

A

V

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I

I

G

G

H

R

A

A

I

I

A

A

R

E

R

T

F

L

L

A

A

A

E

R

G

G

W

A

R

K

V

V

I

I

T

G

C

T

A
|
A

R
x
T

A

S

D

E

V

N

P

G

K

A

E

Q

C

A

M

I

I

S

D

D

R

Y

N

L

W

G

A

A

C

N

H

G

-

K

-

G

I

L

V

M

A
x
L

D
x
N

L
x
V

A

T

D

D

P

P

A

A

S

S

A

I

Q

E

D

S

F

V

V

L

A

E

Q

K

A

I

N

R

A

A

W

E

L

F

G

G

A

-

E

-

P

E

L

V

H

D

A

I

L

L

V

V

N

N

A

A

G
|
G

V
x
I

S

T

P

-

K

-

T

-

P

-

Y

-

K

R

E

D

R

N

L

L

G

-

V

L

L

M

N

R

G

M

P

K

I

D

D

E

G

E

W

W

K

N

D

D

V

I

F

I

E

E

L

T

N

N

F

L

F

S

A

S

P

V

L

F

R

R

L

L

A

S

R

K

G

A

F

V

A

M

S

R

A

A

L

M

H

M

R

K

G

K

K

R

-

H

G

G

A

R

I

I

V

I

N

T

I

I

T

G

S
|
S

I

V

A

V

G

G

H

T

Y

M

V

G

H

N

P

-

F

-

A

G

G

G

S
x
Q

A

A

-

N

Y
x
F

S

A

T

A

S

A

K
|
K

A

A

A

G

L

L

S

I

G

G

L

F

T

S

R

K

E

S

M

L

A

A

A

R

E

E

M

V

A

A

Q

S

L

R

G

G

V

I

R

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

E

F

I

I

R

E

T

T

E

D

M

M

I

T

S

R

A

A

-

L

-

S

-

D

E

Q

Y

R

E

A

A

G

L

I

V

L

P

A

R

Q

I

V

P

P

L

A

E

G

R

R

M

L

G

G

T

G

P

A

E

Q

D

E

V

I

A

A

G

N

T

A

V

V

F

A

R

F

L

L

C

A

G

S

S

D

D

E

F

A

D

A

Y

Y

V

I

T

T

G

G

T

E

E

T

V

L

F

H

V

V

T

N

G

G

Q

M

H

Y

L

M

active site: G15 (= G15), S137 (= S142), Q147 (≠ S154), F150 (≠ Y156), K154 (= K160)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G11), S13 (= S13), R14 (= R14), A35 (= A35), T36 (≠ R36), L57 (≠ A55), N58 (≠ D56), V59 (≠ L57), G87 (= G87), I88 (≠ V88)

2zatA Crystal structure of a mammalian reductase (see paper)
33% identity, 98% coverage: 3:241/245 of query aligns to 4:246/251 of 2zatA

query
sites
2zatA

E

E

V

N

K

K

T

V

V

A

V

L

V

V

T

T

G
x
A

A

S

S
x
T

R
x
D

G
|
G

I
|
I

G

G

H

L

A

A

I

I

A

A

R

R

F

L

L

A

A

Q

E

D

G

G

W

A

R

H

V

V

I

V

T

V

C

S

A
x
S

R
|
R

A

-

D

-

V

-

P

-

K
|
K

E

Q

C

E

M
x
N

I

V

D

D

R

R

N

T

W

V

A

A

C

T

-

L

-

Q

-

G

-

E

-

G

-

L

H

S

I

V

V

T

A

G

D

T

L

V

A

C

D
x
H

P

V

A

G

S

K

A

A

Q

E

D

D

-

R

-

E

-

R

F

L

V

V

A

A

Q

M

A

A

N

V

A

N

W

L

L

H

G

G

A

G

E

-

P

-

L

V

H

D

A

I

L

L

V

V

N

S

N
|
N

A

A

G
x
A

V

V

S

N

P

P

K

F

T

F

P

G

Y

-

K

-

E

-

R

-

L

-

G

N

V

I

L

I

N

D

G

A

P

T

I

E

D

E

G

V

W

W

K

D

D

K

V

I

F

L

E

H

L

V

N

N

F

V

F

K

A

A

P

T

L

V

R

L

L

M

A

T

R

K

G

A

F

V

A

V

S

P

A

E

L

M

H

E

R

K

G

R

K

G

G

G

A

G

I

S

V

V

N

L

I

I

T
x
V

S

S

I
x
S

A

V

G

G

H

A

Y

Y

V

-

H

H

P

P

F

F

A

P

G

N

-
x
L

S

G

A

P

Y
|
Y

S

N

T

V

S

S

K
|
K

A

T

A

A

L

L

S

L

G

G

L

L

T

T

R

K

E

N

M

L

A

A

A

V

E

E

M

L

A

A

Q

P

L

R

G

N

V

I

R

R

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V

N

N

A

C

V

L

A

A

P
|
P

G
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G

E

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I
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I

R

K

T
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T

E

N

-
x
F

-
x
S

-

Q

-

V

-

L

-

W

M

M

I

D

S
x
K

A

A

E

R

Y

K

E

E

A

Y

L

M

V

K

P

E

R

S

I

L

P

R

L

I

E

R

R

R

M

L

G

G

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N

P

P

E

E

D

D

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A

A

G

G

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V

F

S

R

F

L

L

C

C

G

S

S

E

D

D

F

A

D

S

Y

Y

V

I

T

T

G

G

T

E

E

T

V

V

F

V

V

V

T

G

G

G

active site: G16 (= G15), S142 (≠ I143), L152 (vs. gap), Y155 (= Y156), K159 (= K160), K200 (≠ S195)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A12 (≠ G11), T14 (≠ S13), D15 (≠ R14), G16 (= G15), I17 (= I16), S36 (≠ A35), R37 (= R36), K38 (= K41), N41 (≠ M44), H62 (≠ D59), N89 (= N85), A91 (≠ G87), V140 (≠ T141), S142 (≠ I143), Y155 (= Y156), K159 (= K160), P185 (= P186), G186 (= G187), I188 (= I189), T190 (= T191), F192 (vs. gap), S193 (vs. gap)

Q8WNV7 Dehydrogenase/reductase SDR family member 4; NADPH-dependent carbonyl reductase; CR; PHCR; NADPH-dependent retinol dehydrogenase/reductase; NDRD; Peroxisomal carbonyl reductase; PerCR; Peroxisomal short-chain alcohol dehydrogenase; PSCD; Short chain dehydrogenase/reductase family 25C member 2; Protein SDR25C2; EC 1.1.1.184; EC 1.1.1.300 from Sus scrofa (Pig) (see 2 papers)
33% identity, 98% coverage: 3:241/245 of query aligns to 32:274/279 of Q8WNV7

query
sites
Q8WNV7

E

E

V

N

K

K

T

V

V

A

V
x
L

V
|
V

T
|
T

G
x
A

A
x
S

S
x
T

R
x
D

G
|
G

I
|
I

G
|
G

H
x
L

A
|
A

I
|
I

A
|
A

R
|
R

F
x
L

L
x
A

A
x
Q

E
x
D

G
|
G

W
x
A

R
x
H

V
|
V

I
x
V

T

V

C

S

A

S

R

R

A

-

D

-

V

-

P

-

K

K

E

Q

C

E

M

N

I

V

D

D

R

R

N

T

W

V

A

A

C

T

-

L

-

Q

-

G

-

E

-

G

-

L

H

S

I

V

V

T

A

G

D

T

L

V

A

C

D

H

P

V

A

G

S

K

A

A

Q

E

D

D

-

R

-

E

-

R

F

L

V

V

A

A

Q

M

A

A

N

V

A

N

W

L

L

H

G

G

A

G

E

-

P

-

L

V

H

D

A

I

L

L

V

V

N

S

N

N

A

A

G

A

V

V

S

N

P

P

K

F

T

F

P

G

Y

-

K

-

E

-

R

-

L

-

G

N

V

I

L

I

N

D

G

A

P

T

I

E

D

E

G

V

W

W

K

D

D

K

V

I

F

L

E

H

L

V

N

N

F

V

F

K

A

A

P

T

L

V

R

L

L

M

A

T

R

K

G

A

F

V

A

V

S

P

A

E

L

M

H

E

R

K

G

R

K

G

G

G

A

G

I

S

V

V

N

L

I

I

T

V

S

S

I

S

A

V

G

G

H

A

Y

Y

V

-

H

H

P

P

F
|
F

A

P

G

N

-
x
L

S

G

A

P

Y
|
Y

S

N

T

V

S

S

K
|
K

A

T

A

A

L

L

S

L

G

G

L

L

T

T

R

K

E
x
N

M

L

A

A

A

V

E

E

M

L

A

A

Q

P

L

R

G

N

V

I

R

R

V

V

N

N

A

C

V

L

A

A

P

P

G

G

E

L

I

I

R

K

T

T

E

N

-

F

-

S

-

Q

-

V

-

L

-

W

M

M

I

D

S

K

A

A

E

R

Y

K

E

E

A

Y

L

M

V

K

P

E

R

S

I

L

P

R

L

I

E

R

R

R

M

L

G

G

T

N

P

P

E

E

D

D

V

C

A

A

G

G

T

I

V

V

F

S

R

F

L

L

C

C

G

S

S

E

D

D

F

A

D

S

Y

Y

V

I

T

T

G

G

T

E

E

T

V

V

F

V

V

V

T

G

G

G

37:61 (vs. 8:32, 48% identical) binding
F177 (= F151) Responsible for the stereoselective reduction of 3-ketosteroids into 3alpha-hydroxysteroids and benzil into S-benzoin; mutation to S: Change in stereoselective activity by the reduction of 3-ketosteroids and benzil into 3beta-hydroxysteroid and R-benzoin, respectively; when associated with F-180.
L180 (vs. gap) Responsible for the stereoselective reduction of 3-ketosteroids into 3alpha-hydroxysteroids and benzil into S-benzoin; mutation to F: Change in stereoselective activity by the reduction of 3-ketosteroids and benzil into 3beta-hydroxysteroid and R-benzoin, respectively; when associated with S-177.
Y183 (= Y156) active site, Proton acceptor
K187 (= K160) binding
N196 (≠ E169) Important for the maintenance of the quaternary structure, the catalytic activity and cold stability

Sites not aligning to the query:

277:279 Peroxisomal targeting signal

Query Sequence

>WP_011384008.1 NCBI__GCF_000009985.1:WP_011384008.1
MSEVKTVVVTGASRGIGHAIARRFLAEGWRVITCARADVPKECMIDRNWACHIVADLADP
ASAQDFVAQANAWLGAEPLHALVNNAGVSPKTPYKERLGVLNGPIDGWKDVFELNFFAPL
RLARGFASALHRGKGAIVNITSIAGHYVHPFAGSAYSTSKAALSGLTREMAAEMAQLGVR
VNAVAPGEIRTEMISAEYEALVPRIPLERMGTPEDVAGTVFRLCGSDFDYVTGTEVFVTG
GQHLY

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