SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_091298222.1 NCBI__GCF_900107045.1:WP_091298222.1 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)

3sjuA Hedamycin polyketide ketoreductase bound to NADPH (see paper)
70% identity, 99% coverage: 3:255/255 of query aligns to 1:255/255 of 3sjuA

query
sites
3sjuA

R

Q

T

T

A

A

L

F

V

V

T

T

G
|
G

A

V

T

S

S
|
S

G
|
G

I

I

G

G

L

L

A

A

V

V

A

A

K

R

Q

T

L

L

A

A

E

A

A

R

G

G

H

I

Q

A

V

V

F

Y

L

G

C

C

A
|
A

R
|
R

N
x
D

-

A

-

K

D

N

V

V

S

S

P

A

T

A

V

V

K

D

Q

G

L

L

R

R

A

A

D

A

G

G

F

H

E

D

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V

D

D

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T

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C

D
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D

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R

T

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E

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T

D

D

E

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H

A

A

F

A

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V

Q

A

A

A

A

A

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V

D

E

R

R

Y

F

G

G

P

P

V

I

D

G

I

I

L

L

V

V

N

N

N
x
S

A
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A

G
|
G

R

R

S

N

G

G

G

G

G

G

V

E

T

T

A

A

D

D

L

L

V

D

D

D

E

A

L

L

W

W

F

A

D

D

V

V

I

L

D

D

T

T

N

N

L

L

H

T

G

G

V

V

F

F

R

R

M

V

T

T

R

R

A

E

V

V

L

L

N

R

T

A

G

G

G

G

L

M

R

R

H

E

R

A

P

G

W

W

G

G

R

R

I

I

V

V

N

N

I
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I

A

A

S
|
S

T

T

A

G

G

G

K

K

Q

Q

G

G

V

V

V

M

L

Y

G

A

A

A

P

P

Y
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Y

S

T

A

A

S

S

K
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K

H

H

A

G

V

V

V

V

G

G

F

F

T

T

K

K

S

S

L

V

G

G

N

F

E

E

L

L

G

A

K

K

T

T

G

G

I

I

T

T

V

V

N

N

A

A

V

V

C

C

P
|
P

G
|
G

Y
|
Y

V
|
V

E

E

T
|
T

P

P

M
|
M

A

A

Q

E

R

R

V

V

R

R

Q

E

G

G

Y
|
Y

A

A

A

R

A

H

W

W

D

G

I

V

S

T

E

E

D

Q

E

E

V

V

L

H

D

E

R

R

F

F

Q

N

A

A

K

K

I

I

P

P

L

L

G

G

R

R

Y

Y

S

S

T

T

P

P

E

E

E

E

V

V

A

A

G

G

L

L

V

V

G

G

Y

Y

L

L

V

V

S

T

D

D

P

A

A

A

G

A

S

S

I

I

T

T

A

A

Q

Q

A

A

L

L

N

N

V

V

C

C

G

G

G

G

L

L

G

G

N

N

F

Y

active site: G11 (= G13), S138 (= S138), Y151 (= Y151), K155 (= K155), Y196 (= Y196)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G7 (= G9), S10 (= S12), A31 (= A33), R32 (= R34), D33 (≠ N35), C56 (= C56), D57 (= D57), V58 (= V58), S84 (≠ N84), A85 (= A85), G86 (= G86), I136 (= I136), Y151 (= Y151), K155 (= K155), P181 (= P181), G182 (= G182), Y183 (= Y183), V184 (= V184), T186 (= T186), M188 (= M188)

P16544 Putative ketoacyl reductase; EC 1.3.1.- from Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) (see 2 papers)
62% identity, 100% coverage: 2:255/255 of query aligns to 6:261/261 of P16544

query
sites
P16544

A

S

R

E

T

V

A

A

L

L

V

V

T

T

G

G

A

A

T
|
T

S
|
S

G

G

I
|
I

G

G

L

L

A

E

V

I

A

A

K

R

Q

R

L

L

A

G

E

K

A

E

G

G

H

L

Q

R

V

V

F

F

L

V

C

C

A

A

R
|
R

N
x
G

D

E

-

E

-

G

V

L

S

R

P

T

T

T

V

L

K

K

Q

E

L

L

R

R

A

E

D

A

G

G

F

V

E

E

V

A

D

D

G

G

T

R

E

T

C

C

D
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D

V
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V

R

R

S

S

E

V

T

P

D

E

V

I

Q

E

A

A

F

L

V

V

Q

A

A

A

A

V

V

V

D

E

R

R

Y

Y

G

G

P

P

V

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

R

R

S

P

G

G

G

G

G

G

V

A

T

T

A

A

D

E

L

L

V

A

D

D

E

E

L

L

W

W

F

L

D

D

V

V

I

V

D

E

T

T

N

N

L

L

H

T

G

G

V

V

F

F

R

R

M

V

T

T

R

K

A

Q

V

V

L

L

N

K

T

A

G

G

G

G

L

M

R

L

H

E

R

R

P

G

W

T

G

G

R

R

I

I

V

V

N

N

I

I

A

A

S

S

T

T

A

G

G

G

K

K

Q

Q

G

G

V

V

V

V

L

H

G

A

A

A

P

P

Y
|
Y

S

S

A

A

S

S

K
|
K

H

H

A

G

V

V

V

V

G

G

F

F

T

T

K

K

S

A

L

L

G

G

N

L

E

E

L

L

G

A

K

R

T

T

G

G

I

I

T

T

V

V

N

N

A

A

V

V

C

C

P

P

G

G

Y

F

V
|
V

E

E

T
|
T

P

P

M

M

A

A

Q

A

R

S

V

V

R

R

Q

E

G

H

Y

Y

A

S

A

D

A

I

W

W

D

E

I

V

S

S

E

T

D

E

E

E

V

A

L

F

D

D

R

R

F

I

Q

T

A

A

K

R

I

V

P

P

L

I

G

G

R

R

Y

Y

S

V

T

Q

P

P

E

S

E

E

V

V

A

A

G

E

L

M

V

V

G

A

Y

Y

L

L

V

I

S

G

D

P

P

G

A

A

G

A

S

A

I

V

T

T

A

A

Q

Q

A

A

L

L

N

N

V

V

C

C

G

G

G

G

L

L

G

G

N

N

F

Y

T15 (= T11) binding NADP(+)
S16 (= S12) binding NADP(+)
I18 (= I14) binding NADP(+)
R38 (= R34) binding NADP(+)
G39 (≠ N35) binding NADP(+)
D63 (= D57) binding NADP(+)
V64 (= V58) binding NADP(+)
N90 (= N84) binding NADP(+)
Y157 (= Y151) binding NADP(+)
K161 (= K155) binding NADP(+)
V190 (= V184) binding NADP(+)
T192 (= T186) binding NADP(+)

1w4zA Structure of actinorhodin polyketide (actiii) reductase (see paper)
62% identity, 100% coverage: 2:255/255 of query aligns to 4:259/259 of 1w4zA

query
sites
1w4zA

A

S

R

E

T

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
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T

S
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S

G
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G

I
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I

G

G

L

L

A

E

V

I

A

A

K

R

Q

R

L

L

A

G

E

K

A

E

G

G

H

L

Q

R

V

V

F

F

L

V

C

C

A

A

R
|
R

N
x
G

D

E

-

E

-

G

V

L

S

R

P

T

T

T

V

L

K

K

Q

E

L

L

R

R

A

E

D

A

G

G

F

V

E

E

V

A

D

D

G

G

T

R

E

T

C

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D

V
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V

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R

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S

E

V

T

P

D

E

V

I

Q

E

A

A

F

L

V

V

Q

A

A

A

A

V

V

V

D

E

R

R

Y

Y

G

G

P

P

V

V

D

D

I

V

L

L

V

V

N

N

N
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N

A

A

G
|
G

R

R

S

P

G

G

G

G

G

G

V

A

T

T

A

A

D

E

L

L

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A

D

D

E

E

L

L

W

W

F

L

D

D

V

V

I

V

D

E

T

T

N
|
N

L

L

H

T

G

G

V

V

F

F

R

R

M

V

T

T

R

K

A

Q

V

V

L

L

N

K

T

A

G

G

G

G

L

M

R

L

H

E

R

R

P

G

W

T

G

G

R

R

I

I

V

V

N

N

I

I

A

A

S
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S

T

T

A

G

G

G

K

K

Q

Q

G

G

V

V

V

V

L

H

G

A

A

A

P

P

Y
|
Y

S

S

A

A

S

S

K
|
K

H

H

A

G

V

V

V

V

G

G

F

F

T

T

K

K

S

A

L

L

G

G

N

L

E

E

L

L

G

A

K

R

T

T

G

G

I

I

T

T

V

V

N

N

A

A

V

V

C

C

P
|
P

G
|
G

Y

F

V
|
V

E

E

T
|
T

P

P

M

M

A

A

Q

A

R

S

V

V

R

R

Q

E

G

H

Y
|
Y

A

S

A

D

A

I

W

W

D

E

I

V

S

S

E

T

D

E

E

E

V

A

L

F

D

D

R

R

F

I

Q

T

A

A

K

R

I

V

P

P

L

I

G

G

R

R

Y

Y

S

V

T

Q

P

P

E

S

E

E

V

V

A

A

G

E

L

M

V

V

G

A

Y

Y

L

L

V

I

S

G

D

P

P

G

A

A

G

A

S

A

I

V

T

T

A

A

Q

Q

A

A

L

L

N

N

V

V

C

C

G

G

G

G

L

L

G

G

N

N

F

Y

active site: G15 (= G13), N112 (= N108), S142 (= S138), Y155 (= Y151), K159 (= K155), Y200 (= Y196)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), T13 (= T11), S14 (= S12), G15 (= G13), I16 (= I14), R36 (= R34), G37 (≠ N35), D61 (= D57), V62 (= V58), N88 (= N84), G90 (= G86), S142 (= S138), Y155 (= Y151), K159 (= K155), P185 (= P181), G186 (= G182), V188 (= V184), T190 (= T186)

2rh4B Actinorhodin ketoreductase, actkr, with NADPH and inhibitor emodin (see paper)
62% identity, 100% coverage: 2:255/255 of query aligns to 13:268/268 of 2rh4B

query
sites
2rh4B

A

S

R

E

T

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

E

V

I

A

A

K

R

Q

R

L

L

A

G

E

K

A

E

G

G

H

L

Q

R

V

V

F

F

L

V

C

C

A
|
A

R
|
R

N
x
G

D

E

-

E

-

G

V

L

S

R

P

T

T

T

V

L

K

K

Q

E

L

L

R

R

A

E

D

A

G

G

F

V

E

E

V

A

D

D

G

G

T

R

E

T

C
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C

D
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D

V
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V

R

R

S

S

E

V

T

P

D

E

V

I

Q

E

A

A

F

L

V

V

Q

A

A

A

A

V

V

V

D

E

R

R

Y

Y

G

G

P

P

V

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

R

R

S

P

G

G

G

G

G

G

V

A

T

T

A

A

D

E

L

L

V

A

D

D

E

E

L

L

W

W

F

L

D

D

V

V

I

V

D

E

T

T

N
|
N

L

L

H

T

G

G

V

V

F

F

R

R

M

V

T

T

R

K

A

Q

V

V

L

L

N

K

T

A

G

G

G

G

L

M

R

L

H

E

R

R

P

G

W

T

G

G

R

R

I

I

V

V

N

N

I

I

A

A

S
|
S

T

T

A

G

G

G

K

K

Q

Q

G

G

V

V

V

V

L

H

G

A

A

A

P

P

Y
|
Y

S

S

A

A

S

S

K
|
K

H

H

A

G

V

V

V

V

G

G

F

F

T

T

K

K

S

A

L

L

G

G

N

L

E

E

L

L

G

A

K

R

T

T

G

G

I

I

T

T

V

V

N

N

A

A

V

V

C

C

P

P

G
|
G

Y

F

V
|
V

E

E

T
|
T

P

P

M
|
M

A

A

Q

A

R

S

V

V

R

R

Q

E

G

H

Y
|
Y

A

S

A

D

A

I

W

W

D

E

I

V

S

S

E

T

D

E

E

E

V

A

L

F

D

D

R

R

F

I

Q

T

A

A

K

R

I

V

P

P

L

I

G

G

R

R

Y

Y

S

V

T

Q

P

P

E

S

E

E

V

V

A

A

G

E

L

M

V

V

G

A

Y

Y

L

L

V

I

S

G

D

P

P

G

A

A

G

A

S

A

I

V

T

T

A

A

Q

Q

A

A

L

L

N

N

V

V

C

C

G

G

G

G

L

L

G

G

N

N

F

Y

active site: G24 (= G13), N121 (= N108), S151 (= S138), Y164 (= Y151), K168 (= K155), Y209 (= Y196)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G20 (= G9), T22 (= T11), S23 (= S12), I25 (= I14), A44 (= A33), R45 (= R34), G46 (≠ N35), C69 (= C56), D70 (= D57), V71 (= V58), N97 (= N84), S151 (= S138), Y164 (= Y151), K168 (= K155), G195 (= G182), V197 (= V184), T199 (= T186), M201 (= M188)

1xr3A Actinorhodin polyketide ketoreductase with NADP and the inhibitor isoniazid bound (see paper)
62% identity, 100% coverage: 2:255/255 of query aligns to 1:256/256 of 1xr3A

query
sites
1xr3A

A

S

R

E

T

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

E

V

I

A

A

K

R

Q

R

L

L

A

G

E

K

A

E

G

G

H

L

Q

R

V

V

F

F

L

V

C

C

A
|
A

R
|
R

N
x
G

D

E

-

E

-

G

V

L

S

R

P

T

T

T

V

L

K

K

Q

E

L

L

R

R

A

E

D

A

G

G

F

V

E

E

V

A

D

D

G

G

T

R

E

T

C
|
C

D
|
D

V
|
V

R

R

S

S

E

V

T

P

D

E

V

I

Q

E

A

A

F

L

V

V

Q

A

A

A

A

V

V

V

D

E

R

R

Y

Y

G

G

P

P

V

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

R

R

S

P

G

G

G

G

G

G

V

A

T

T

A

A

D

E

L

L

V

A

D

D

E

E

L

L

W

W

F

L

D

D

V

V

I

V

D

E

T

T

N
|
N

L

L

H

T

G

G

V

V

F

F

R

R

M

V

T

T

R

K

A

Q

V

V

L

L

N

K

T

A

G

G

G

G

L

M

R

L

H

E

R

R

P

G

W

T

G

G

R

R

I

I

V

V

N

N

I

I

A

A

S
|
S

T
|
T

A
x
G

G

G

K

K

Q

Q

G

G

V
|
V

V

V

L

H

G

A

A

A

P

P

Y
|
Y

S

S

A

A

S

S

K
|
K

H

H

A

G

V

V

V

V

G

G

F

F

T

T

K

K

S

A

L

L

G

G

N

L

E

E

L

L

G

A

K

R

T

T

G

G

I

I

T

T

V

V

N

N

A

A

V

V

C

C

P

P

G
|
G

Y

F

V
|
V

E

E

T
|
T

P
|
P

M

M

A

A

Q

A

R

S

V

V

R

R

Q

E

G

H

Y
|
Y

A

S

A

D

A

I

W

W

D

E

I

V

S

S

E

T

D

E

E

E

V

A

L

F

D

D

R

R

F

I

Q

T

A

A

K

R

I

V

P

P

L

I

G

G

R

R

Y

Y

S

V

T

Q

P

P

E

S

E

E

V

V

A

A

G

E

L

M

V

V

G

A

Y

Y

L

L

V

I

S

G

D

P

P

G

A

A

G

A

S

A

I

V

T

T

A

A

Q

Q

A

A

L

L

N

N

V

V

C

C

G

G

G

G

L

L

G

G

N

N

F

Y

active site: G12 (= G13), N109 (= N108), S139 (= S138), Y152 (= Y151), K156 (= K155), Y197 (= Y196)
binding 4-(diazenylcarbonyl)pyridine: T140 (= T139), G141 (≠ A140), V146 (= V145)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), T10 (= T11), S11 (= S12), G12 (= G13), I13 (= I14), A32 (= A33), R33 (= R34), G34 (≠ N35), C57 (= C56), D58 (= D57), V59 (= V58), N85 (= N84), A86 (= A85), G87 (= G86), S139 (= S138), Y152 (= Y151), K156 (= K155), G183 (= G182), V185 (= V184), T187 (= T186), P188 (= P187)

2rh4A Actinorhodin ketoreductase, actkr, with NADPH and inhibitor emodin (see paper)
62% identity, 100% coverage: 2:255/255 of query aligns to 2:257/257 of 2rh4A

query
sites
2rh4A

A

S

R

E

T

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

E

V

I

A

A

K

R

Q

R

L

L

A

G

E

K

A

E

G

G

H

L

Q

R

V

V

F

F

L

V

C

C

A
|
A

R
|
R

N
x
G

D

E

-

E

-

G

V

L

S

R

P

T

T

T

V

L

K

K

Q

E

L

L

R

R

A

E

D

A

G

G

F

V

E

E

V

A

D

D

G

G

T

R

E

T

C
|
C

D
|
D

V
|
V

R

R

S

S

E

V

T

P

D

E

V

I

Q

E

A

A

F

L

V

V

Q

A

A

A

A

V

V

V

D

E

R

R

Y

Y

G

G

P

P

V

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G
|
G

R

R

S

P

G

G

G

G

G

G

V

A

T

T

A

A

D

E

L

L

V

A

D

D

E

E

L

L

W

W

F

L

D

D

V

V

I

V

D

E

T

T

N
|
N

L

L

H

T

G

G

V

V

F

F

R

R

M

V

T

T

R

K

A

Q

V

V

L

L

N

K

T

A

G

G

G

G

L

M

R

L

H

E

R

R

P

G

W

T

G

G

R

R

I

I

V

V

N

N

I

I

A

A

S
|
S

T
|
T

A

G

G

G

K

K

Q
|
Q

G

G

V
|
V

V

V

L

H

G

A

A

A

P

P

Y
|
Y

S

S

A

A

S

S

K
|
K

H

H

A

G

V

V

V

V

G

G

F

F

T

T

K

K

S

A

L

L

G

G

N

L

E

E

L

L

G

A

K

R

T

T

G

G

I

I

T

T

V

V

N

N

A

A

V

V

C

C

P
|
P

G
|
G

Y
x
F

V
|
V

E

E

T
|
T

P

P

M
|
M

A

A

Q

A

R

S

V

V

R

R

Q

E

G

H

Y
|
Y

A

S

A

D

A

I

W

W

D

E

I

V

S

S

E

T

D

E

E

E

V

A

L

F

D

D

R

R

F

I

Q

T

A

A

K

R

I

V

P

P

L

I

G

G

R

R

Y

Y

S

V

T

Q

P

P

E

S

E

E

V

V

A

A

G

E

L

M

V

V

G

A

Y

Y

L

L

V

I

S

G

D

P

P

G

A

A

G

A

S

A

I

V

T

T

A

A

Q

Q

A

A

L

L

N

N

V

V

C

C

G

G

G

G

L
|
L

G

G

N

N

F

Y

active site: G13 (= G13), N110 (= N108), S140 (= S138), Y153 (= Y151), K157 (= K155), Y198 (= Y196)
binding 3-methyl-1,6,8-trihydroxyanthraquinone: T141 (= T139), Q145 (= Q143), V147 (= V145), Y153 (= Y151), F185 (≠ Y183), L254 (= L252)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G9 (= G9), T11 (= T11), S12 (= S12), G13 (= G13), I14 (= I14), A33 (= A33), R34 (= R34), G35 (≠ N35), C58 (= C56), D59 (= D57), V60 (= V58), N86 (= N84), G88 (= G86), S140 (= S138), Y153 (= Y151), K157 (= K155), P183 (= P181), G184 (= G182), V186 (= V184), T188 (= T186), M190 (= M188)

9febA Short-chain dehydrogenase/reductase (sdr) from thermus caliditerrae in complex with NADP
43% identity, 98% coverage: 3:251/255 of query aligns to 9:256/261 of 9febA

query
sites
9febA

R

K

T

H

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

S
x
R

G

G

I

I

G

G

L

A

A

A

V

I

A

A

K

E

Q

A

L

L

A

A

E

Q

A

A

G

G

H

A

Q

R

V

L

F

T

L

L

C

V

A

A

R
|
R

N
x
K

-

L

-

Q

D

D

V

L

S

E

P

E

T

R

V

V

K

E

Q

R

L

L

R

R

A

A

D

-

G

W

F

T

E

E

V

V

D

Q

G

G

T

E

E

V

C

G

D
|
D

V

V

R

A

S

D

E

P

T

Q

D

A

V

M

Q

E

A

S

F

L

V

V

Q

H

A

R

A

A

V

Q

D

E

R

R

Y

F

G

G

P

P

V

V

D

A

I

I

L

L

V

V

N

N

N

N

A

A

G
|
G

R

F

S
x
V

G

L

G

T

G

A

V

P

T

F

A

L

D

E

L

I

V

N

D

E

E

E

L

L

W

W

F

Q

D

R

V

H

I

I

D

E

T

V

N

N

L

L

H

G

G

A

V

A

F

Y

R

R

M

L

T

I

R

R

A

L

V

L

L

L

N

P

T

-

G

-

G

G

L

M

R

L

H

E

R

M

P

G

W

W

G

G

R

R

I

I

V

I

N

N

I

I

A

S

S

S

T

T

A

A

G

G

K

L

Q

T

G

G

V

Y

V

P

L

Y

G

A

A

V

P

P

Y

Y

S

C

A

A

S

A

K

K

H

H

A

G

V

L

V

I

G

G

F

L

T

T

K

R

S

A

L

L

G

A

N

L

E

E

L

L

G

A

K

Q

T

R

G

G

I

I

T

T

V

V

N

N

A

A

V

I

C

C

P

P

G

G

Y

F

V

T

E

D

T

T

P

D

M

L

A

L

Q

Q

-

A

-

S

-

V

-

L

R

R

V

V

R

A

Q

Q

G

R

Y

T

A

A

A

R

A

A

W

-

D

-

I

-

S

-

E

P

D

E

E

A

V

V

L

L

D

E

R

L

F

F

Q

A

A

R

K

R

I

N

P

P

L

Q

G

G

R

R

Y

L

S

V

T

R

P

P

E

E

E

E

V

V

A

A

G

W

L

A

V

V

G

V

Y

W

L

L

V

C

S

S

D

E

P

K

A

A

G

A

S

A

I

I

T

N

A

G

Q

Q

A

A

L

I

N

A

V

V

C

A

G

G

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G9), S17 (≠ T11), R18 (≠ S12), R40 (= R34), K41 (≠ N35), D64 (= D57), G93 (= G86), V95 (≠ S88)

9fe6B Short-chain dehydrogenase/reductase (sdr) from thermus caliditerrae
43% identity, 98% coverage: 3:251/255 of query aligns to 9:256/261 of 9fe6B

query
sites
9fe6B

R

K

T

H

A

A

L

L

V

V

T

T

G

G

A

A

T

S

S

R

G

G

I

I

G

G

L

A

A

A

V

I

A

A

K

E

Q

A

L

L

A

A

E

Q

A

A

G

G

H

A

Q

R

V

L

F

T

L

L

C

V

A

A

R

R

N

K

-
x
L

-

Q

D

D

V

L

S

E

P

E

T

R

V

V

K

E

Q

R

L

L

R
|
R

A

A

D

-

G

W

F

T

E

E

V
|
V

D

Q

G
|
G

T

E

E

V

C

G

D

D

V

V

R

A

S

D

E

P

T

Q

D

A

V

M

Q

E

A

S

F

L

V

V

Q

H

A

R

A

A

V

Q

D

E

R
|
R

Y

F

G

G

P

P

V

V

D

A

I

I

L

L

V

V

N

N

N

N

A

A

G

G

R

F

S

V

G

L

G

T

G

A

V

P

T

F

A

L

D

E

L

I

V

N

D

E

E

E

L

L

W

W

F

Q

D

R

V

H

I

I

D

E

T

V

N

N

L

L

H

G

G

A

V

A

F

Y

R

R

M

L

T

I

R

R

A

L

V

L

L

L

N

P

T

-

G

-

G

G

L

M

R

L

H

E

R

M

P

G

W

W

G

G

R

R

I

I

V

I

N

N

I

I

A

S

S

S

T

T

A

A

G

G

K

L

Q

T

G

G

V

Y

V

P

L

Y

G

A

A

V

P

P

Y

Y

S

C

A

A

S

A

K

K

H

H

A

G

V

L

V

I

G

G

F

L

T

T

K

R

S

A

L

L

G

A

N

L

E

E

L

L

G

A

K

Q

T

R

G

G

I

I

T

T

V

V

N

N

A

A

V

I

C

C

P

P

G

G

Y

F

V

T

E

D

T

T

P

D

M

L

A

L

Q

Q

-

A

-

S

-

V

-

L

R

R

V

V

R

A

Q

Q

G

R

Y

T

A

A

A

R

A

A

W

-

D

-

I

-

S

-

E

P

D

E

E

A

V

V

L

L

D

E

R

L

F

F

Q

A

A

R

K

R

I

N

P

P

L

Q

G

G

R

R

Y

L

S

V

T

R

P

P

E

E

E

E

V

V

A

A

G

W

L

A

V

V

G

V

Y

W

L

L

V

C

S

S

D

E

P

K

A

A

G

A

S

A

I

I

T

N

A

G

Q

Q

A

A

L

I

N

A

V

V

C

A

G

G

G

G

binding : L42 (vs. gap), R53 (= R45), V58 (= V51), G60 (= G53), R81 (= R74)

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)
38% identity, 98% coverage: 3:252/255 of query aligns to 9:244/247 of 3op4A

query
sites
3op4A

R

K

T

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

S
x
R

G

G

I
|
I

G

G

L

K

A

A

V

I

A

A

K

E

Q

L

L

L

A

A

E

E

A

R

G

G

H

A

Q

K

V

V

F

I

L

G

C

T

A

A

R

-

N

-

D

-

V
x
T

S

S

P

E

T

S

V

G

K

A

Q

Q

L

A

R

I

A

S

D

D

-

Y

-

L

G

G

F

D

E

N

V

G

D

K

G

G

T

M

E

A

C

L

D
x
N

V
|
V

R

T

S

N

E

P

T

E

D

S

V

I

Q

E

A

A

F

V

V

L

Q

K

A

A

A

I

V

T

D

D

R

E

Y

F

G

G

P

G

V

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

R
x
I

S

T

G

R

G

D

G

N

V

L

T

L

A

M

D

R

L

M

V

K

D

E

E

E

L

E

W

W

F

S

D

D

V

I

I

M

D

E

T

T

N

N

L

L

H

T

G

S

V

I

F

F

R

R

M

L

T

S

R

K

A

A

V

V

L

L

N

R

T

-

G

-

G

G

L

M

R

M

H

K

R

K

P

R

W

Q

G

G

R

R

I

I

V

I

N

N

I
x
V

A

G

S
|
S

T

V

A

V

G

G

K

T

Q

M

G

G

V

N

V

A

L

G

G

Q

A

A

P

N

Y
|
Y

S

A

A

A

S

A

K
|
K

H

A

A

G

V

V

V

I

G

G

F

F

T

T

K

K

S

S

L

M

G

A

N

R

E

E

L

V

G

A

K

S

T

R

G

G

I

V

T

T

V

V

N

N

A

T

V

V

C

A

P
|
P

G
|
G

Y

F

V
x
I

E

E

T
|
T

P

D

M
|
M

A

T

Q

K

R

A

V

L

R

-

Q

-

G

-

Y

-

A

-

A

-

A

-

W

-

D

-

I

-

S

-

E

N

D

D

E

E

V

Q

L

R

D

T

R

A

F

T

Q

L

A

A

K

Q

I

V

P

P

L

A

G

G

R

R

Y

L

S

G

T

D

P

P

E

R

E

E

V

I

A

A

G

S

L

A

V

V

G

A

Y

F

L

L

V

A

S

S

D

P

P

E

A

A

G

A

S

Y

I

I

T

T

A

G

Q

E

A

T

L

L

N

H

V

V

C

N

G

G

G

G

L

M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G9), S17 (≠ T11), R18 (≠ S12), I20 (= I14), T40 (≠ V37), N62 (≠ D57), V63 (= V58), N89 (= N84), A90 (= A85), I92 (≠ R87), V139 (≠ I136), S141 (= S138), Y154 (= Y151), K158 (= K155), P184 (= P181), G185 (= G182), I187 (≠ V184), T189 (= T186), M191 (= M188)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
38% identity, 98% coverage: 3:252/255 of query aligns to 9:240/243 of 4i08A

query
sites
4i08A

R

K

T

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

S
x
R

G
|
G

I
|
I

G

G

L

K

A

A

V

I

A

A

K

E

Q

L

L

L

A

A

E

E

A

R

G

G

H

A

Q

K

V

V

F

I

L

G

C

T

A

A

R

-

N

-

D

-

V
x
T

S

S

P

E

T

S

V

G

K

A

Q

Q

L

A

R

I

A

S

D

D

-

Y

-

L

G

G

F

D

E

N

V

G

D

K

G

G

T

M

E

A

C

L

D
x
N

V
|
V

R

T

S

N

E

P

T

E

D

S

V

I

Q

E

A

A

F

V

V

L

Q

K

A

A

A

I

V

T

D

D

R

E

Y

F

G

G

P

G

V

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

R

I

S

T

G

R

G

D

G

N

V

L

T

L

A

M

D

R

L

M

V

K

D

E

E

E

L

E

W

W

F

S

D

D

V

I

I

M

D

E

T

T

N
|
N

L

L

H

T

G

S

V

I

F

F

R

R

M

L

T

S

R

K

A

A

V

V

L

L

N

R

T

-

G

-

G

G

L

M

R

M

H

K

R

K

P

R

W

Q

G

G

R

R

I

I

V

I

N

N

I

V

A
x
G

S
|
S

T

V

A

V

G

G

K

T

Q

M

G

G

V

N

V

A

L

G

G
x
Q

A

A

P

N

Y
|
Y

S

A

A

A

S

A

K
|
K

H

A

A

G

V

V

V

I

G

G

F

F

T

T

K

K

S

S

L

M

G

A

N

R

E

E

L

V

G

A

K

S

T

R

G

G

I

V

T

T

V

V

N

N

A

T

V

V

C

A

P
|
P

G
|
G

Y

F

V

I

E

E

T
|
T

P

D

M

M

A

-

Q

-

R

-

V

-

R

-

Q

-

G

-

Y

-

A

-

A

-

A

-

W

-

D

-

I

-

S

-

E

N

D

D

E

E

V

Q

L

R

D

T

R

A

F

T

Q

L

A

A

K

Q

I

V

P

P

L

A

G

G

R

R

Y

L

S

G

T

D

P

P

E

R

E

E

V

I

A

A

G

S

L

A

V

V

G

A

Y

F

L

L

V

A

S

S

D

P

P

E

A

A

G

A

S

Y

I

I

T

T

A

G

Q

E

A

T

L

L

N

H

V

V

C

N

G

G

G

G

L

M

active site: G19 (= G13), N113 (= N108), S141 (= S138), Q151 (≠ G148), Y154 (= Y151), K158 (= K155)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G9), S17 (≠ T11), R18 (≠ S12), I20 (= I14), T40 (≠ V37), N62 (≠ D57), V63 (= V58), N89 (= N84), A90 (= A85), G140 (≠ A137), S141 (= S138), Y154 (= Y151), K158 (= K155), P184 (= P181), G185 (= G182), T189 (= T186)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
36% identity, 99% coverage: 1:252/255 of query aligns to 3:244/246 of 3osuA

query
sites
3osuA

M

M

A

T

R

K

T

S

A

A

L

L

V

V

T

T

G

G

A

A

T

S

S

R

G
|
G

I

I

G

G

L

R

A

S

V

I

A

A

K

L

Q

Q

L

L

A

A

E

E

A

E

G

G

H

Y

Q

N

V

V

-

A

-

V

-

N

F

Y

L

A

C

G

A

S

R

K

N

E

D

K

V

A

S

E

P

A

T

V

V

V

K

E

Q

E

L

I

R

K

A

A

D

K

G

G

F

V

E

D

V

S

D

F

G

A

T

I

E

Q

C

A

D

N

V

V

R

A

S

D

E

A

T

D

D

E

V

V

Q

K

A

A

F

M

V

I

Q

K

A

E

A

V

V

V

D

S

R

Q

Y

F

G

G

P

S

V

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

R

I

S

T

G

R

G

D

G

N

V

L

T

L

A

M

D

R

L

M

V

K

D

E

E

Q

L

E

W

W

F

D

D

D

V

V

I

I

D

D

T

T

N

N

L

L

H

K

G

G

V

V

F

F

R

N

M

C

T

I

R

Q

A

K

V

A

L

-

N

T

T

P

G

Q

G

M

L

L

R

R

H

Q

R

R

P

S

W

-

G

G

R

A

I

I

V

I

N

N

I

L

A

S

S
|
S

T

V

A

V

G

G

K

A

Q

V

G

G

V

N

V

P

L

G

G
x
Q

A

A

P

N

Y
|
Y

S

V

A

A

S

T

K
|
K

H

A

A

G

V

V

V

I

G

G

F

L

T

T

K

K

S

S

L

A

G

A

N

R

E

E

L

L

G

A

K

S

T

R

G

G

I

I

T

T

V

V

N

N

A

A

V

V

C

A

P

P

G

G

Y

F

V

I

E

V

T

S

P

D

M

M

A

T

Q

-

R

-

V

-

R

-

Q

-

G

-

Y

-

A

-

A

-

A

-

W

-

D

D

I

A

S

L

E

S

D

D

E

E

V

L

L

K

D

E

R

Q

F

M

Q

L

A

T

K

Q

I

I

P

P

L

L

G

A

R

R

Y

F

S

G

T

Q

P

D

E

T

E

D

V

I

A

A

G

N

L

T

V

V

G

A

Y

F

L

L

V

A

S

S

D

D

P

K

A

A

G

K

S

Y

I

I

T

T

A

G

Q

Q

A

T

L

I

N

H

V

V

C

N

G

G

G

G

L

M

active site: G15 (= G13), S141 (= S138), Q151 (≠ G148), Y154 (= Y151), K158 (= K155)
binding magnesium ion: N89 (= N84), K158 (= K155)

9clyB Crystal structure of the 3-ketoacyl-(acyl-carrier-protein) reductase, cylg, from streptococcus agalactiae 2603v/r
35% identity, 99% coverage: 3:254/255 of query aligns to 4:241/242 of 9clyB

query
sites
9clyB

R

K

T

V

A

A

L

I

V

V

T

T

G
|
G

A

G

T

T

S
x
R

G
|
G

I
|
I

G

G

L

R

A

A

V

I

A

T

K

K

Q

E

L

L

A

Y

E

K

A

E

G

G

H

Y

Q

K

V

V

F

-

L

I

C

A

A

I

R
x
Y

N
|
N

D
x
S

V

N

S

D

P

A

T

K

V

A

K

R

Q

A

L

L

R

Q

A

E

D

E

G

L

F

P

E

K

V

L

D

D

G

V

T

Y

E

K

C
|
C

D
x
N

V
x
I

R

S

S

D

E

A

T

K

D

A

V

V

Q

Q

A

K

F

L

V

V

Q

T

A

K

A

I

V

F

D

R

R

E

Y

Y

G

G

P

G

V

I

D

D

I

C

L

L

V

V

N

N

N
|
N

A

A

G

G

R

I

S

V

G

R

G

D

G

G

V

F

T

F

A

L

D

M

L

M

V

S

D

K

E

E

L

K

W

W

F

M

D

D

V

V

I

I

D

N

T

I

N

N

L

I

H

M

G

G

V

L

F

V

R

N

M

M

T

S

R

K

A

A

V

V

L

L

N

K

T

I

G

M

G

K

L

A

R

K

H

-

R

R

P

I

W

Q

G

G

R

K

I

V

V

I

N

N

I
|
I

A

S

S
|
S

T

T

A

S

G

G

K

I

Q

A

G

G

V

Q

V

I

L

G

G

Q

A

A

P

N

Y
|
Y

S

S

A

A

S

T

K
|
K

H

G

A

A

V

I

V

I

G

S

F

I

T

T

K

K

S

T

L

L

G

A

N

K

E

E

L

F

G

A

K

S

T

D

G

G

I

I

T

T

V

I

N

N

A

C

V

V

C

S

P

P

G
|
G

Y

F

V
x
I

E

E

T
|
T

P

D

M
|
M

A

T

Q

N

R

E

V

L

R

Q

Q

-

G

-

Y

-

A

-

A

-

A

-

W

-

D

-

I

-

S

N

E

K

D

E

E

E

V

L

L

K

D

E

R

H

F

L

Q

-

A

-

K

-

I

I

P

P

L

L

G

K

R

R

Y

F

S

G

T

Q

P

P

E

E

E

E

V

V

A

A

G

W

L

L

V

V

G

S

Y

F

L

L

V

A

S

S

D

E

P

K

A

A

G

N

S

Y

I

I

T

T

A

G

Q

K

A

N

L

I

N

V

V

I

C

D

G

G

G

G

L

M

G

I

N

N

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G10 (= G9), R13 (≠ S12), G14 (= G13), I15 (= I14), Y34 (≠ R34), N35 (= N35), S36 (≠ D36), C56 (= C56), N57 (≠ D57), I58 (≠ V58), N84 (= N84), I135 (= I136), S137 (= S138), Y150 (= Y151), K154 (= K155), G181 (= G182), I183 (≠ V184), T185 (= T186), M187 (= M188)

4k6fB X-ray crystal structure of a putative acetoacetyl-coa reductase from burkholderia cenocepacia bound to the co-factor NADP
40% identity, 98% coverage: 3:251/255 of query aligns to 2:241/245 of 4k6fB

query
sites
4k6fB

R

R

T

I

A

A

L

V

V

V

T

T

G
|
G

A

G

T

M

S

G

G
|
G

I

L

G

G

L

E

A

A

V

V

A

S

K

I

Q

R

L

L

A

N

E

D

A

A

G

G

H

H

Q

R

V

V

F

V

L

V

C

T

A

-

R

-

N

-

D

-

V
x
Y

S
|
S

P

P

T

N

-
x
N

-

T

-

G

-

A

-

D

-

R

-

W

V

L

K

T

Q

E

L

M

R

H

A

A

D

A

G

G

F

R

E

E

V

F

D

H

G

A

T

Y

E

P

C
x
V

D
|
D

V
|
V

R

A

S

D

E

H

T

D

D

S

V

C

Q

Q

A

Q

F

C

V

I

Q

E

A

K

A

I

V

V

D

R

R

D

Y

V

G

G

P

P

V

V

D

D

I

I

L

L

V

V

N

N

N

N

A
|
A

G
|
G

R
x
I

S

T

G

R

G

D

G

M

V

T

T

L

A

R

D

K

L

L

V

D

D

K

E

V

L
x
N

W

W

F

D

D

A

V

V

I

I

D

R

T

T

N

N

L

L

H

D

G

S

V

V

F

F

R

N

M

M

T

T

R

K

A

P

V

V

L

C

N

D

T

-

G

-

G

G

L

M

R

V

H

E

R

R

P

G

W

W

G

G

R

R

I

I

V

V

N

N

I

I

A

S

S
|
S

T

V

A

N

G

G

K

S

Q

K

G

G

V

S

V

V

L

G

G

Q

A

T

P

N

Y
|
Y

S

A

A

A

S

A

K
|
K

H

A

A

G

V

M

V

H

G

G

F

F

T

T

K

K

S

S

L

L

G

A

N

L

E

E

L

I

G

A

K

R

T

K

G

G

I

V

T

T

V

V

N

N

A

T

V

V

C

S

P

P

G

G

Y

Y

V

L

E

A

T

T

P

K

M

M

A

V

Q

T

R

A

V

I

R

P

Q

Q

G

-

Y

-

A

-

A

-

A

-

W

-

D

D

I

I

S

L

E

D

D

T

E

K

V

I

L

L

D

-

R

-

F

-

Q

-

A

P

K

Q

I

I

P

P

L

A

G

G

R

R

Y

L

S

G

T

K

P

P

E

E

E

E

V

V

A

A

G

A

L

L

V

V

G

A

Y

Y

L

L

V

C

S

S

D

E

P

E

A

A

G

G

S

F

I

V

T

T

A

G

Q

S

A

N

L

I

N

A

V

I

C

N

G

G

G

G

active site: G12 (= G13), N102 (≠ L100), S138 (= S138), Y151 (= Y151), K155 (= K155)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), Y32 (≠ V37), S33 (= S38), N36 (vs. gap), V58 (≠ C56), D59 (= D57), V60 (= V58), A87 (= A85), G88 (= G86), I89 (≠ R87)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
37% identity, 98% coverage: 3:252/255 of query aligns to 6:245/247 of 4jroC

query
sites
4jroC

R

K

T

V

A

A

L

V

V

V

T

T

G
|
G

A

G

T
x
S

S
x
R

G
|
G

I
|
I

G

G

L

R

A

D

V

I

A

A

K

I

Q

N

L

L

A

A

E

K

A

E

G

G

H

A

Q

N

V

I

F

F

L

F

C
x
N

A
x
Y

R
x
N

N
x
G

D
x
S

-

P

-

E

-

A

V

A

S

E

P

E

T

T

V

A

K

K

Q

L

L

V

R

A

A

E

D

H

G

G

F

V

E

E

V

V

D

E

G

A

T

M

E

K

C

A

D
x
N

V
|
V

R

A

S

I

E

A

T

E

D

D

V

V

Q

D

A

A

F

F

V

F

Q

K

A

Q

A

A

V

I

D

E

R

R

Y

F

G

G

P

R

V

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

R
x
I

S

T

G

R

G

D

G

N

V

L

T

L

A

M

D

R

L

M

V

K

D

E

E

D

L

E

W

W

F

D

D

D

V

V

I

I

D

N

T
x
I

N

N

L

L

H

K

G

G

V

T

F

F

R

L

M

C

T

T

R

K

A

A

V

V

L

S

N

R

T

T

G

-

G

-

L

M

R

M

H

K

R

Q

P

R

W

A

G

G

R

K

I

I

V

I

N

N

I

M

A

A

S
|
S

T

V

A

V

G

G

K

L

Q

I

G

G

V

N

V

A

L

G

G
x
Q

A

A

P

N

Y
|
Y

S

V

A

A

S

S

K
|
K

H

A

A

G

V

V

V

I

G

G

F

L

T

T

K

K

S

T

L

T

G

A

N

R

E

E

L

L

G

A

K

P

T

R

G

G

I

I

T

N

V

V

N

N

A

A

V

V

C

A

P
|
P

G

G

Y

F

V
x
I

E

T

T
|
T

P

D

M

M

A

T

Q

D

R

K

V

L

R

-

Q

-

G

-

Y

-

A

-

A

-

A

-

W

-

D

-

I

-

S

-

E

D

D

E

E

K

V

T

L

K

D

E

R

A

F

M

Q

L

A

A

K

Q

I

I

P

P

L

L

G

G

R

A

Y

Y

S

G

T

T

P

T

E

E

E

D

V

I

A

A

G

N

L

A

V

V

G

L

Y

F

L

L

V

A

S

S

D

D

P

A

A

S

G

K

S

Y

I

I

T

T

A

G

Q

Q

A

T

L

L

N

S

V

V

C

D

G

G

G

G

L

M

active site: G16 (= G13), S142 (= S138), Q152 (≠ G148), Y155 (= Y151), K159 (= K155)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G9), S14 (≠ T11), R15 (≠ S12), G16 (= G13), I17 (= I14), N35 (≠ C32), Y36 (≠ A33), N37 (≠ R34), G38 (≠ N35), S39 (≠ D36), N63 (≠ D57), V64 (= V58), N90 (= N84), A91 (= A85), I93 (≠ R87), I113 (≠ T107), S142 (= S138), Y155 (= Y151), K159 (= K155), P185 (= P181), I188 (≠ V184), T190 (= T186)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
36% identity, 98% coverage: 3:252/255 of query aligns to 2:237/239 of 3sj7A

query
sites
3sj7A

R

K

T

S

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

S
x
R

G
|
G

I
|
I

G

G

L

R

A

S

V

I

A

A

K

L

Q

Q

L

L

A

A

E

E

A

E

G

G

H

Y

Q

N

V

V

-

A

-

V

-
x
N

F
x
Y

L
x
A

C
x
G

A
x
S

R

K

N

E

D

K

V

A

S

E

P

A

T

V

V

V

K

E

Q

E

L

I

R

K

A

A

D

K

G

G

F

V

E

D

V

S

D

F

G

A

T

I

E

Q

C
x
A

D
x
N

V
|
V

R

A

S

D

E

A

T

D

D

E

V

V

Q

K

A

A

F

M

V

I

Q

K

A

E

A

V

V

V

D

S

R

Q

Y

F

G

G

P

S

V

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G

G

R

I

S

T

G

R

G

D

G

N

V

L

T

L

A

M

D

R

L

M

V

K

D

E

E

Q

L

E

W

W

F

D

D

D

V

V

I

I

D

D

T
|
T

N

N

L

L

H

K

G

G

V

V

F

F

R

N

M

C

T

I

R

Q

A

K

V

A

L

-

N

T

T

P

G

Q

G

M

L

L

R

R

H

Q

R

R

P

S

W

-

G

G

R

A

I

I

V

I

N

N

I

L

A

S

S
|
S

T

V

A

V

G

G

K

A

Q

V

G

G

V

N

V

P

L

G

G
x
Q

A

A

P

N

Y
|
Y

S

V

A

A

S

T

K
|
K

H

A

A

G

V

V

V

I

G

G

F

L

T

T

K

K

S

S

L

A

G

A

N

R

E

E

L

L

G

A

K

S

T

R

G

G

I

I

T

T

V

V

N

N

A

A

V

V

C

A

P
|
P

G
|
G

Y

F

V

I

E

V

T

S

P

D

M

M

A

T

Q

-

R

-

V

-

R

-

Q

-

G

-

Y

-

A

-

A

-

A

-

W

-

D

-

I

-

S

-

E

-

D

D

E

E

V

L

L

K

D

E

R

Q

F

M

Q

L

A

T

K

Q

I

I

P

P

L

L

G

A

R

R

Y

F

S

G

T

Q

P

D

E

T

E

D

V

I

A

A

G

N

L

T

V

V

G

A

Y

F

L

L

V

A

S

S

D

D

P

K

A

A

G

K

S

Y

I

I

T

T

A

G

Q

Q

A

T

L

I

N

H

V

V

C

N

G

G

G

G

L

M

active site: G12 (= G13), S138 (= S138), Q148 (≠ G148), Y151 (= Y151), K155 (= K155)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), S10 (≠ T11), R11 (≠ S12), I13 (= I14), N31 (vs. gap), Y32 (≠ F30), A33 (≠ L31), G34 (≠ C32), S35 (≠ A33), A58 (≠ C56), N59 (≠ D57), V60 (= V58), N86 (= N84), A87 (= A85), T109 (= T107), S138 (= S138), Y151 (= Y151), K155 (= K155), P181 (= P181), G182 (= G182)

2q2qD Structure of d-3-hydroxybutyrate dehydrogenase from pseudomonas putida (see paper)
39% identity, 98% coverage: 3:251/255 of query aligns to 5:251/255 of 2q2qD

query
sites
2q2qD

R

K

T

T

A

A

L

L

V

V

T

T

G
|
G

A

S

T
|
T

S
|
S

G
|
G

I
|
I

G

G

L

L

A

G

V

I

A

A

K

Q

Q

V

L

L

A

A

E

R

A

A

G

G

H

A

Q

N

V

I

F

V

L

L

C

N

A

G

R
x
F

N

G

D

D

V

P

S

A

P

P

T

A

V

L

K

A

Q

E

L

I

R

A

A

R

D

H

G

G

F

V

E

K

V

A

D

V

G

H

T

H

E

P

C

A

D
|
D

V
x
L

R

S

S

D

E

V

T

A

D

Q

V

I

Q

E

A

A

F

L

V

F

Q

A

A

L

A

A

V

E

D

R

R

E

Y

F

G

G

P

G

V

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G
|
G

R

I

S

Q

G

H

G

V

G

A

V

P

T

V

A

E

D

Q

L

F

V

P

D

L

E

E

L

S

W

W

F

D

D

K

V

I

I

I

D

A

T
x
L

N

N

L

L

H

S

G

A

V

V

F

F

R

H

M

G

T

T

R

R

A

L

V

A

L

L

N

P

T

-

G

-

G

G

L

M

R

R

H

A

R

R

P

N

W

W

G

G

R

R

I

I

V

I

N

N

I
|
I

A

A

S
|
S

T

V

A

H

G

G

K

L

Q

V

G

G

V

S

V

T

L

G

G

K

A

A

P

A

Y
|
Y

S

V

A

A

S

A

K
|
K

H

H

A

G

V

V

V

V

G

G

F

L

T

T

K

K

S

V

L

V

G

G

N

L

E

E

L

T

G

A

K

T

T

S

G

N

I

V

T

T

V

C

N

N

A

A

V

I

C

C

P
|
P

G
|
G

Y
x
W

V
|
V

E

L

T
|
T

P

P

M
x
L

A
x
V

Q

Q

R

K

V

Q

R

I

Q

D

G

D

Y
x
R

A

A

A

A

A

N

W

G

D

G

I

D

S

P

E

L

D

Q

E

A

V

Q

L

H

D

D

R

L

F

L

Q

A

A

E

K

K

I

Q

P

P

L

S

G

L

R

A

Y

F

S

V

T

T

P

P

E

E

E

H

V

L

A

G

G

E

L

L

V

V

G

L

Y

F

L

L

V

C

S

S

D

E

P

A

A

G

G

S

S

Q

I

V

T

R

A

G

Q

A

A

A

L

W

N

N

V

V

C

D

G

G

G

G

active site: G15 (= G13), S138 (= S138), Y151 (= Y151), K155 (= K155), R196 (≠ Y196)
binding nicotinamide-adenine-dinucleotide: G11 (= G9), T13 (= T11), S14 (= S12), G15 (= G13), I16 (= I14), F36 (≠ R34), D59 (= D57), L60 (≠ V58), N86 (= N84), G88 (= G86), L109 (≠ T107), I136 (= I136), S138 (= S138), Y151 (= Y151), K155 (= K155), P181 (= P181), G182 (= G182), W183 (≠ Y183), V184 (= V184), T186 (= T186), L188 (≠ M188), V189 (≠ A189)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
37% identity, 98% coverage: 3:252/255 of query aligns to 13:251/254 of 4ag3A

query
sites
4ag3A

R

K

T

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

S
x
R

G
|
G

I
|
I

G

G

L

Q

A

A

V

I

A

A

K

L

Q

E

L

L

A

G

E

R

A

L

G

G

H

A

Q

V

V