SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing H281DRAFT_00643 H281DRAFT_00643 3-oxoacyl-[acyl-carrier-protein] reductase 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)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
53% identity, 100% coverage: 2:246/246 of query aligns to 4:244/244 of 4nbuB

query
sites
4nbuB

K

R

L

L

N

Q

G

D

K

K

V

V

A

A

I

I

T

T

G
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G

A

A

G

A

Q
x
N

G
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G

I
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I

G

G

A

L

A

E

T

A

A

A

L

R

K

V

F

F

A

M

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E

E

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G

A

A

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K

V

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I

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A

I

C

A

D
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D

M
x
F

N

N

L

-

D

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T

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H

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C

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E

E

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G

A

G

G

K

K

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E

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E

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I

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D

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L

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A

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G

I
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I

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D

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K

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M

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F

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N

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H

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T

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Q

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A

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Y

M

M

I

A

E

E

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Q

G

G

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K

G

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K

I

I

L

I

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N

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x
T

S

S

S
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S

V

V

V

T

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G

V

T

Y

Y

G

G

N
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N

Y
x
V

G

G

Q
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Q

T

T

N

N

Y
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Y

A

A

K
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K

F

A

G

G

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V

I

I

G

G

F

M

T

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K

K

T

T

W

W

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E

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L

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A

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R

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K

G

G

I

I

R

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V

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N

A

A

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A

A

P
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P

G

G

F
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F

I
x
T

D

E

T
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T

P

A

I
x
M

L

V

K

A

T

E

I

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P

E

E

D

K

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V

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E

K
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K

M

M

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K

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A

Q

Q

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P

L

M

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L

G

G

K

K

P

P

E

E

E

D

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A

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I

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Y

Y

A

L

F

F

L

L

A

A

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H

E

E

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S

D

Y

Y

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N

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G

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M

active site: G18 (= G16), N111 (= N113), S139 (= S141), Q149 (= Q151), Y152 (= Y154), K156 (= K158)
binding acetoacetyl-coenzyme a: D93 (= D95), K98 (= K100), S139 (= S141), N146 (= N148), V147 (≠ Y149), Q149 (= Q151), Y152 (= Y154), F184 (= F186), M189 (≠ I191), K200 (= K202)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G12), N17 (≠ Q15), G18 (= G16), I19 (= I17), D38 (= D36), F39 (≠ M37), V59 (= V61), D60 (= D62), V61 (= V63), N87 (= N89), A88 (= A90), G89 (= G91), I90 (= I92), T137 (≠ A139), S139 (= S141), Y152 (= Y154), K156 (= K158), P182 (= P184), F184 (= F186), T185 (≠ I187), T187 (= T189), M189 (≠ I191)

4nbtA Crystal structure of fabg from acholeplasma laidlawii (see paper)
52% identity, 100% coverage: 2:246/246 of query aligns to 2:239/239 of 4nbtA

query
sites
4nbtA

K

K

L

L

N

E

G

G

K

K

V

V

A

A

I

V

I

I

T

T

G
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G

A

G

G

A

Q
x
K

G
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G

I
x
L

G

G

A

Q

A

A

T

I

A

A

L

L

K

A

F

Y

A

A

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E

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E

G

G

A

A

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I

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x
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N

-

L

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-

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G

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L

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T

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Y

A

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H

L

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R

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E

E

A

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G

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K

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A

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A

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M

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Y

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L

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Y

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N

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N
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N

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G

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I

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K

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D

A

A

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M

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W

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I

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G

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M

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G

G

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I

L

I

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A
x
I

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S
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S

V

V

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G

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V

Y

F

G

G

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N

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I

G

G

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A

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Y

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K

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A

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W

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F

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L

K

K

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G

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A

-

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I

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A

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P

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G

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I

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K

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L

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K

K

M

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M

L

L

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R

R

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L

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G

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Q

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P

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E

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A

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F

L

L

A

A

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S

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E

D

A

A

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S

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Y

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T

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L

active site: G16 (= G16), S132 (= S141), Y145 (= Y154), K149 (= K158)
binding nicotinamide-adenine-dinucleotide: G12 (= G12), K15 (≠ Q15), G16 (= G16), L17 (≠ I17), D36 (= D36), L37 (≠ M37), L52 (≠ V61), N53 (≠ D62), V54 (= V63), N80 (= N89), A81 (= A90), G82 (= G91), I130 (≠ A139), S132 (= S141), Y145 (= Y154), K149 (= K158), P177 (= P184), G178 (= G185), I180 (= I187), T182 (= T189)

4nbwA Crystal structure of fabg from plesiocystis pacifica (see paper)
50% identity, 98% coverage: 6:246/246 of query aligns to 2:251/253 of 4nbwA

query
sites
4nbwA

K

R

V

V

A

A

I

I

T

T

G
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G

A

A

G

A

Q
x
N

G
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G

I
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I

G

G

A

R

A

A

T

T

A

A

L

L

K

E

F

F

A

A

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Q

E

A

G

G

A

Y

V

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V

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A

C

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D
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D

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x
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N

A

L

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E

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A

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A

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C

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E

E

A

M

A

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Y

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A

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G

I

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L

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K

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F

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P

L

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R

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L

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G

G

K

D

P

P

E

V

E

D

I

I

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A

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I

A

Y

Y

A

L

F

F

L

L

A

A

S

S

D

E

E

E

A

S

S

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Y

F

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N

S

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G

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V

active site: G12 (= G16), S146 (= S141), Y159 (= Y154), K163 (= K158)
binding nicotinamide-adenine-dinucleotide: G8 (= G12), N11 (≠ Q15), G12 (= G16), I13 (= I17), D32 (= D36), L33 (≠ M37), V57 (= V61), D58 (= D62), V59 (= V63), N85 (= N89), A86 (= A90), G87 (= G91), S146 (= S141), Y159 (= Y154), K163 (= K158), I192 (= I187), T194 (= T189)

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
45% identity, 100% coverage: 1:246/246 of query aligns to 4:247/247 of 7tzpG

query
sites
7tzpG

M

M

K

K

L

L

N

A

G

S

K

K

V

T

A

A

I

I

I

V

T

T

G
|
G

A

A

G

A

Q
x
R

G
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G

I
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I

G

G

A

F

A

G

T

I

A

A

L

Q

K

V

F

L

A

A

S

R

E

E

G

G

A

A

V

R

V

V

I

I

A

I

C

A

D
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D

M
x
R

N

D

L

A

D

H

A

G

V

E

A

A

T

A

V

A

A

A

H

S

L

L

C

-

R

R

E

E

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G

G

A

K

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A

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L

A

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F

I

A

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x
C

D

N

V
x
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A

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E

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K

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T

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Q

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V

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E

E

A

M

L

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R

E

G

E

T

A

Y

F

G

G

R

P

I

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D

D

V

I

V

L

V

V

N

N

N
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N

A

A

G
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G

I
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I

T

N

R

R

D

D

A

A

R

M

L

L

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H

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K

M

L

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T

L

E

Q

A

Q

D

F

W

D

D

D

T

V

V

I

I

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V

N

N

L

L

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K

G

G

V

T

F

F

H

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T

C

A

M

Q

Q

A

Q

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M

M

I

R

E

E

Q

R

G

G

S

A

G

G

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R

I

I

L

I

N

N

A

I

S

A

S

S

V

A

V

S

G

W

V

L

Y

-

G

G

N

N

Y

V

G

G

Q

Q

T

T

N

N

Y
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Y

A

S

A

A

A

S

K
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K

F

A

G

G

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V

I

V

G

G

F

M

T

T

K

K

T

T

W

A

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E

E

L

L

G

A

P

K

K

K

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G

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T

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V

N

N

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I

A

C

P

P

G

G

F

F

I
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I

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D

T
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T

P

D

I

M

L
x
T

K

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T

G

I

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P

P

E

E

D

N

V

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T

Q

K

I

M

M

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S

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K

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P

L

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Y

L

A

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K

E

P

A

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K

E

D

I

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G

S

E

I

C

Y

V

A

A

F

F

L

L

A

A

S

S

D

D

E

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Y

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G

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L

binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G12), R18 (≠ Q15), G19 (= G16), I20 (= I17), D39 (= D36), R40 (≠ M37), C63 (≠ V61), I65 (≠ V63), N91 (= N89), G93 (= G91), I94 (= I92), V114 (= V112), Y155 (= Y154), K159 (= K158), I188 (= I187), T190 (= T189), T193 (≠ L192)

4cqlI Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD (see paper)
43% identity, 100% coverage: 2:246/246 of query aligns to 5:251/251 of 4cqlI

query
sites
4cqlI

K

R

L

L

N

R

G

S

K

A

V

L

A

A

I

L

I

V

T

T

G

G

A

A

G

G

Q
x
S

G
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G

I
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I

G

G

A

R

A

A

T

V

A

S

L

V

K

R

F

L

A

A

S

G

E

E

G

G

A

A

V

T

V

V

I

A

A

A

C

C

D
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D

M
x
L

N

D

L

R

D

A

A

A

V

A

A

Q

T

E

V

T

A

V

H

R

L

L

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G

E

G

A

P

G

G

G

S

K

N

A

H

D

A

A

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F

A

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x
A

D
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D

V
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V

T

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E

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A

V

A

D

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E

C

M

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A

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C

Y

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S

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R

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P

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S

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N

S

N
x
C

A
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A

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G

I
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I

T

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D

A

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F

W

D

D

D

K

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V

N

N

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L

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K

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G

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F

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T

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Q

A

A

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E

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Q

N

G

G

S

C

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R

G

G

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I

I

L

I

N

N

A
x
I

S

S

S
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S

V

I

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V

G

G

V

K

Y

V

G

G

N

N

Y

V

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

A

S

K
|
K

F

A

G

G

V

V

I

I

G

G

F

L

T

T

K

Q

T

T

W

A

S

A

R

R

E

E

L

L

G

G

P

R

K

H

G

G

I

I

R

R

V

C

N

N

A

S

V

V

A

L

P
|
P

G
|
G

F

F

I
|
I

D

A

T
|
T

P

P

I
x
M

L

T

K

Q

T

K

I

V

P

P

E

Q

D

K

V

V

L

V

T

D

K

K

M

I

R

T

D

E

Q

M

V

I

P

P

L

M

R

G

R

H

L

L

G

G

K

D

P

P

E

E

E

D

I

V

A

A

S

D

I

V

Y

V

A

A

F

F

L

L

A

A

S

S

D

E

E

D

A

S

S

G

Y

Y

V

I

N

T

G

G

A

T

V

S

I

V

E

E

A

V

T

T

G

G

L

L

T

F

L

M

active site: G19 (= G16), S146 (= S141), Y159 (= Y154), K163 (= K158)
binding nicotinamide-adenine-dinucleotide: S18 (≠ Q15), G19 (= G16), I20 (= I17), D39 (= D36), L40 (≠ M37), A64 (≠ V61), D65 (= D62), V66 (= V63), C93 (≠ N89), A94 (= A90), G95 (= G91), I96 (= I92), V116 (= V112), I144 (≠ A139), S146 (= S141), Y159 (= Y154), K163 (= K158), P189 (= P184), G190 (= G185), I192 (= I187), T194 (= T189), M196 (≠ I191)

4cqmA Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD and NADP (see paper)
44% identity, 100% coverage: 2:246/246 of query aligns to 3:248/248 of 4cqmA

query
sites
4cqmA

K

R

L

L

N

R

G

S

K

A

V

L

A

A

I

L

I

V

T

T

G
|
G

A

A

G

G

Q
x
S

G
|
G

I
|
I

G

G

A

R

A

A

T

V

A

S

L

V

K

R

F

L

A

A

S

G

E

E

G

G

A

A

V

T

V

V

I

A

A

A

C

C

D
|
D

M
x
L

N

D

L

R

D

A

A

A

V

A

A

Q

T

E

V

T

A

V

H

R

L

L

C

L

R

P

E

P

A

R

G

G

G

N

K

H

A

A

D

-

A

A

F

F

A

Q

V
x
A

D

D

V
|
V

T

S

N

E

R

A

T

R

Q

A

V

A

D

R

E

C

M

L

V

L

A

E

K

Q

V

V

R

Q

G

A

T

C

Y

F

G

S

R

R

I

P

-

P

D

S

V

V

N

S

N
x
C

A
|
A

G
|
G

I
|
I

T

T

R

Q

D

D

A

E

R

F

L

L

Q

L

K

H

M

M

T

S

L

E

Q

D

F

W

D

D

D

K

V

V

I

I

D

A

V
|
V

N

N

L

L

R

K

G

G

V

T

F

F

H

L

T

V

A

T

Q

Q

A

A

V

A

D

Q

T

A

M

L

I

V

E

S

Q

N

G

G

S

C

-

R

G

G

V

S

I

I

L

I

N

N

A
x
I

S

S

S
|
S

V

I

V

V

G

G

V

K

Y

V

G

G

N

N

Y

V

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

A

S

K
|
K

F

A

G

G

V

V

I

I

G

G

F

L

T

T

K

Q

T

T

W

A

S

A

R

R

E

E

L

L

G

G

P

R

K

H

G

G

I

I

R

R

V

C

N

N

A

S

V

V

A

L

P
|
P

G
|
G

F

F

I
|
I

D

A

T
|
T

P
|
P

I
x
M

L
x
T

K

Q

T

K

I

V

P

P

E

Q

D

K

V

V

L

V

T

D

K

K

M

I

R

T

D

E

Q

M

V

I

P

P

L

M

R

G

R

H

L

L

G

G

K

D

P

P

E

E

E

D

I

V

A

A

S

D

I

V

Y

V

A

A

F

F

L

L

A

A

S

S

D

E

E

D

A

S

S

G

Y

Y

V

I

N

T

G

G

A

T

V

S

I

V

E

E

A

V

T

T

G

G

L

L

T

F

L

M

active site: G17 (= G16), S143 (= S141), Y156 (= Y154), K160 (= K158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G12), S16 (≠ Q15), G17 (= G16), I18 (= I17), D37 (= D36), L38 (≠ M37), A61 (≠ V61), V63 (= V63), C90 (≠ N89), A91 (= A90), G92 (= G91), I93 (= I92), V113 (= V112), I141 (≠ A139), S143 (= S141), Y156 (= Y154), K160 (= K158), P186 (= P184), G187 (= G185), I189 (= I187), T191 (= T189), P192 (= P190), M193 (≠ I191), T194 (≠ L192)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
44% identity, 100% coverage: 1:246/246 of query aligns to 1:247/247 of 4jroC

query
sites
4jroC

M

M

K

T

L

L

N

Q

G

G

K

K

V

V

A

A

I

V

T

T

G
|
G

A

G

G
x
S

Q
x
R

G
|
G

I
|
I

G

G

A

R

A

D

T

I

A

A

L

I

K

N

F

L

A

A

S

K

E

E

G

G

A

A

-

N

V

I

V

F

I

F

A
x
N

C
x
Y

D
x
N

M
x
G

N
x
S

L

P

D

E

A

A

V

A

A

E

T

E

V

T

A

A

H

K

L

L

C

V

R

A

E

E

A

H

G

G

G

V

K

E

A

V

D

E

A

A

F

M

A

K

V

A

D
x
N

V
|
V

T

A

N

I

R

A

T

E

Q

D

V

V

D

D

E

A

M

F

V

F

A

K

K

Q

V

A

R

I

G

E

T

R

Y

F

G

G

R

R

I

V

D

D

V

I

V

L

V

V

N

N

N
|
N

A
|
A

G

G

I
|
I

T

T

R

R

D

D

A

N

R

L

L

L

Q

M

K

R

M

M

T

K

L

E

Q

D

Q

E

F

W

D

D

V

V

I

I

D

N

V
x
I

N

N

L

L

R

K

G

G

V

T

F

F

H

L

T

C

A

T

Q

K

A

A

V

V

V

S

D

R

T

T

M

M

I

M

E

K

Q

Q

G

R

S

A

G

G

V

K

I

I

L

I

N

N

A

M

S

A

S
|
S

V

V

G

G

V

L

Y

I

G

G

N

N

Y

A

G

G

Q
|
Q

T

A

N

N

Y
|
Y

A

V

A

A

A

S

K
|
K

F

A

G

G

V

V

I

I

G

G

F

L

T

T

K

K

T

T

W

T

S

A

R

R

E

E

L

L

G

A

P

P

K

R

G

G

I

I

R

N

V

V

N

N

A

A

V

V

A

A

P
|
P

G

G

F

F

I
|
I

D

T

T
|
T

P

D

I

M

L

T

K

D

T

K

I

L

P

D

E

E

D

K

V

T

L

K

T

E

K

A

M

M

R

L

D

A

Q

Q

V

I

P

P

L

L

R

G

R

A

L

Y

G

G

K

T

P

T

E

E

E

D

I

I

A

A

S

N

I

A

Y

V

A

L

F

F

L

L

A

A

S

S

D

D

E

A

A

S

S

K

Y

Y

V

I

N

T

G

G

A

Q

V

T

I

L

E

S

A

V

T

D

G

G

L

M

T

V

L

M

active site: G16 (= G16), S142 (= S141), Q152 (= Q151), Y155 (= Y154), K159 (= K158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G12), S14 (≠ G14), R15 (≠ Q15), G16 (= G16), I17 (= I17), N35 (≠ A34), Y36 (≠ C35), N37 (≠ D36), G38 (≠ M37), S39 (≠ N38), N63 (≠ D62), V64 (= V63), N90 (= N89), A91 (= A90), I93 (= I92), I113 (≠ V112), S142 (= S141), Y155 (= Y154), K159 (= K158), P185 (= P184), I188 (= I187), T190 (= T189)

Q92506 (3R)-3-hydroxyacyl-CoA dehydrogenase; 17-beta-hydroxysteroid dehydrogenase 8; 17-beta-HSD 8; HSD17B8; 3-ketoacyl-[acyl-carrier-protein] reductase alpha subunit; KAR alpha subunit; 3-oxoacyl-[acyl-carrier-protein] reductase; Estradiol 17-beta-dehydrogenase 8; Protein Ke6; Ke6; Short chain dehydrogenase/reductase family 30C member 1; Testosterone 17-beta-dehydrogenase 8; EC 1.1.1.n12; EC 1.1.1.62; EC 1.1.1.239 from Homo sapiens (Human) (see 2 papers)
43% identity, 100% coverage: 2:246/246 of query aligns to 8:261/261 of Q92506

query
sites
Q92506

K

R

L

L

N

R

G

S

K

A

V

L

A

A

I
x
L

I
x
V

T
|
T

G
|
G

A
|
A

G
|
G

Q
x
S

G
|
G

I
|
I

G

G

A

R

A

A

T

V

A

S

L

V

K

R

F

L

A

A

S

G

E

E

G

G

A

A

V

T

V

V

I

A

A

A

C

C

D
|
D

M
x
L

N

D

L

R

D

A

A

A

V

A

A

Q

T

E

V

T

A

V

H

R

L

L

C

L

R

G

E

G

A

P

G

G

G

S

K

K

A

E

D

G

-

P

-

R

-

G

-

N

-

H

-

A

A

A

F

F

A

Q

V
x
A

D
|
D

V
|
V

T

S

N

E

R

A

T

R

Q

A

V

A

D

R

E

C

M

L

V

L

A

E

K

Q

V

V

R

Q

G

A

T

C

Y

F

G

S

R

R

I

P

-

P

D

S

V

V

N

S

N

C

A

A

G

G

I

I

T

T

R

Q

D

D

A

E

R

F

L

L

Q

L

K

H

M

M

T

S

L

E

Q

D

F

W

D

D

D

K

V

V

I

I

D

A

V

V

N

N

L

L

R

K

G

G

V

T

F

F

H

L

T

V

A

T

Q

Q

A

A

V

A

D

Q

T

A

M

L

I

V

E

S

Q

N

G

G

S

C

-
x
R

G

G

V

S

I

I

L

I

N

N

A

I

S

S

V

I

V
|
V

G

G

V

K

Y

V

G

G

N

N

Y

V

G

G

Q

Q

T

T

N

N

Y
|
Y

A
|
A

A
x
S

K
|
K

F

A

G

G

V

V

I

I

G

G

F

L

T

T

K

Q

T

T

W

A

S

A

R

R

E

E

L

L

G

G

P
x
R

K

H

G

G

I

I

R

R

V

C

N

N

A

S

V

V

A

L

P

P

G

G

F

F

I
|
I

D
x
A

T
|
T

P

P

I

M

L

T

K

Q

T

K

I

V

P

P

E

Q

D

K

V

V

L

V

T

D

K

K

M

I

R

T

D

E

Q

M

V

I

P

P

L

M

R

G

R

H

L

L

G

G

K

D

P

P

E

E

E

D

I

V

A

A

S

D

I

V

Y

V

A

A

F

F

L

L

A

A

S

S

D

E

E

D

A

S

S

G

Y

Y

V

I

N

T

G

G

A

T

V

S

I

V

E

E

A

V

T

T

G

G

L

L

T

F

L

M

15:23 (vs. 9:17, 67% identical) binding
D42 (= D36) mutation to A: Reduced NADH-dependent reductase activity with acetoacetyl-CoA. Reduced NADH-dependent reductase activity with 9,10-phenanthrene quinone. Increases NADPH-dependent reductase activities. No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
DL 42:43 (≠ DM 36:37) binding
ADV 74:76 (≠ VDV 61:63) binding
R148 (vs. gap) mutation to E: No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
V158 (= V143) to L: in a breast cancer sample; somatic mutation
Y169 (= Y154) mutation to A: Strongly reduced NADH-dependent reductase activity with acetoacetyl-CoA. Strongly reduced NADH-dependent reductase activity with 9,10-phenanthrene quinone. Decreases NADPH-dependent reductase activity with acetoacetyl-CoA, but increases NADPH-dependent reductase activity with 9,10-phenanthrene quinone. No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
YAASK 169:173 (≠ YAAAK 154:158) binding
K173 (= K158) mutation to A: Abolishes NADH-dependent reductase activity with acetoacetyl-CoA. Strongly reduced NADH-dependent reductase activity with 9,10-phenanthrene quinone. Slightly decreases NADPH-dependent reductase activity with acetoacetyl-CoA, but increases NADPH-dependent reductase activity with 9,10-phenanthrene quinone. No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
R189 (≠ P174) mutation to E: No effect on the ability to restore growth of an OAR1-deficient yeast mutant.
IAT 202:204 (≠ IDT 187:189) binding

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)
42% identity, 100% coverage: 1:246/246 of query aligns to 4:246/247 of 3op4A

query
sites
3op4A

M

M

K

N

L

L

N

E

G

G

K

K

V

V

A

A

I

L

I

V

T

T

G
|
G

A

A

G
x
S

Q
x
R

G

G

I
|
I

G

G

A

K

A

A

T

I

A

A

L

E

K

L

F

L

A

A

S

E

E

R

G

G

A

A

V

K

V

V

I

I

A

G

C

T

D

A

M
x
T

N

S

L

E

D

S

A

G

V

A

A

Q

T

A

V

I

A

S

H

D

L

Y

C

L

R

-

E

-

A

-

G

G

G

D

K

N

A

G

D

K

A

G

F

M

A

A

V

L

D
x
N

V
|
V

T

T

N

N

R

P

T

E

Q

S

V

I

D

E

E

A

M

V

V

L

A

K

K

A

V

I

R

T

G

D

T

E

Y

F

G

G

R

G

I

V

D

D

V

I

V

L

V

V

N

N

N
|
N

A
|
A

G

G

I
|
I

T

T

R

R

D

D

A

N

R

L

L

L

Q

M

K

R

M

M

T

K

L

E

Q

E

F

W

D

S

D

D

V

I

I

M

D

E

V

T

N

N

L

L

R

T

G

S

V

I

F

F

H

R

T

L

A

S

Q

K

A

A

V

V

V

L

D

R

T

G

M

M

I

M

E

K

Q

K

G

R

S

Q

G

G

V

R

I

I

L

I

N

N

A
x
V

S

G

S
|
S

V

V

G

G

V

T

Y

M

G

G

N

N

Y

A

G

G

Q

Q

T

A

N

N

Y
|
Y

A

A

K
|
K

F

A

G

G

V

V

I

I

G

G

F

F

T

T

K

K

T

S

W

M

S

A

R

R

E

E

L

V

G

A

P

S

K

R

G

G

I

V

R

T

V

V

N

N

A

T

V

V

A

A

P
|
P

G
|
G

F

F

I
|
I

D

E

T
|
T

P

D

I
x
M

L

T

K

K

T

A

I

L

P

N

E

D

D

E

V

Q

L

R

T

T

K

A

M

T

R

L

D

A

Q

Q

V

V

P

P

L

A

R

G

R

R

L

L

G

G

K

D

P

P

E

R

E

E

I

I

A

A

S

S

I

A

Y

V

A

A

F

F

L

L

A

A

S

S

D

P

E

E

A

A

S

A

Y

Y

V

I

N

T

G

G

A

E

V

T

I

L

E

H

A

V

T

N

G

G

L

M

T

Y

L

M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G12), S17 (≠ G14), R18 (≠ Q15), I20 (= I17), T40 (≠ M37), N62 (≠ D62), V63 (= V63), N89 (= N89), A90 (= A90), I92 (= I92), V139 (≠ A139), S141 (= S141), Y154 (= Y154), K158 (= K158), P184 (= P184), G185 (= G185), I187 (= I187), T189 (= T189), M191 (≠ I191)

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)
41% identity, 100% coverage: 1:246/246 of query aligns to 1:243/244 of P0AEK2

query
sites
P0AEK2

M

M

K

N

L

F

N

E

G

G

K

K

V

I

A

A

I

L

I

V

T

T

G
|
G

A
|
A

G
x
S

Q
x
R

G

G

I

I

G

G

A

R

A

A

T

I

A

A

L

E

K

T

F

L

A

A

S

A

E

R

G

G

A

A

V

K

V

V

I

I

A

G

C

T

D

A

M
x
T

N

S

L

E

D

N

A

G

V

A

A

Q

T

A

V

I

A

S

H

D

L

Y

C

L

R

-

E

-

A

-

G

G

G

A

K

N

A

G

D

K

A

G

F

L

A

M

V

L

D
x
N

V
|
V

T

T

N

D

R

P

T

A

Q

S

V

I

D

E

E

S

M

V

V

L

A

E

K

K

V

I

R

R

G

A

T

E

Y

F

G

G

R

E

I

V

D

D

V

I

V

L

V

V

N

N

N
|
N

A

A

G

G

I

I

T

T

R

R

D

D

A

N

R

L

L

L

Q

M

K

R

M

M

T

K

L

D

Q

E

F

W

D

N

D

D

V

I

I

I

D

E

V

T

N

N

L

L

R

S

G

S

V

V

F

F

H

R

T

L

A

S

Q

K

A

A

V

V

V

M

D

R

T

A

M

M

I

M

E

K

Q

K

G

R

S

H

G

G

V

R

I

I

L

I

N

T

A

I

S

G

S

S

V

V

G

G

V

T

Y

M

G

G

N

N

Y

G

G

G

Q

Q

T

A

N

N

Y
|
Y

A
|
A

K
|
K

F

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

T

S

W

L

S

A

R

R

E

E

L

V

G

A

P

S

K

R

G

G

I

I

R

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

F

F

I
|
I

D

E

T

T

P

D

I

M

L

T

K

R

T

A

I

L

P

S

E

D

D

D

V

Q

L

R

T

A

K

G

M

I

R

L

D

A

Q

Q

V

V

P

P

L

A

R

G

R

R

L

L

G

G

K

G

P

A

E

Q

E

E

I

I

A

A

S

N

I

A

Y

V

A

A

F

F

L

L

A

A

S

S

D

D

E

E

A

A

S

A

Y

Y

V

I

N

T

G

G

A
x
E

V

T

I

L

E

H

A

V

T

N

G

G

L

M

T

Y

L

M

GASR 12:15 (≠ GAGQ 12:15) binding
T37 (≠ M37) binding
NV 59:60 (≠ DV 62:63) binding
N86 (= N89) binding
Y151 (= Y154) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (= YAAAK 154:158) binding
A154 (= A157) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K158) mutation to A: Defect in the affinity for NADPH.
I184 (= I187) binding
E233 (≠ A236) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
44% identity, 100% coverage: 1:246/246 of query aligns to 1:246/246 of 3osuA

query
sites
3osuA

M

M

K

K

L

M

N

T

G

-

K

K

V

S

A

A

I

L

I

V

T

T

G

G

A

A

G

S

Q

R

G
|
G

I

I

G

G

A

R

A

S

T

I

A

A

L

L

K

Q

F

L

A

A

S

E

E

E

G

G

-

Y

A

N

V

V

V

A

I

V

A

N

C

Y

D

A

M

G

N

S

L

K

D

E

A

K

V

A

A

E

T

A

V

V

A

V

H

E

L

E

C

I

R

K

E

A

A

K

G

G

G

V

K

D

A

S

D

F

A

A

F

I

A

Q

V

A

D

N

V

V

T

A

N

D

R

A

T

D

Q

E

V

V

D

K

E

A

M

M

V

I

A

K

K

E

V

V

R

V

G

S

T

Q

Y

F

G

G

R

S

I

L

D

D

V

V

V

L

V

V

N

N

N
|
N

A

A

G

G

I

I

T

T

R

R

D

D

A

N

R

L

L

L

Q

M

K

R

M

M

T

K

L

E

Q

Q

Q

E

F

W

D

D

V

V

I

I

D

D

V

T

N

N

L

L

R

K

G

G

V

V

F

F

H

N

T

C

A

I

Q

Q

A

K

V

A

V

T

D

P

T

Q

M

M

I

L

E

R

Q

Q

G

R

S

S

G

G

V

A

I

I

L

I

N

N

A

L

S

S

S
|
S

V

V

G

G

V

A

Y

V

G

G

N

N

Y

P

G

G

Q
|
Q

T

A

N

N

Y
|
Y

A

V

A

A

A

T

K
|
K

F

A

G

G

V

V

I

I

G

G

F

L

T

T

K

K

T

S

W

A

S

A

R

R

E

E

L

L

G

A

P

S

K

R

G

G

I

I

R

T

V

V

N

N

A

A

V

V

A

A

P

P

G

G

F

F

I

I

D

V

T

S

P

D

I

M

L

T

K

D

T

A

I

L

P

S

E

D

D

E

V

L

L

K

T

E

K

Q

M

M

R

L

D

T

Q

Q

V

I

P

P

L

L

R

A

R

R

L

F

G

G

K

Q

P

D

E

T

E

D

I

I

A

A

S

N

I

T

Y

V

A

A

F

F

L

L

A

A

S

S

D

D

E

K

A

A

S

K

Y

Y

V

I

N

T

G

G

A

Q

V

T

I

I

E

H

A

V

T

N

G

G

L

M

T

Y

L

M

active site: G15 (= G16), S141 (= S141), Q151 (= Q151), Y154 (= Y154), K158 (= K158)
binding magnesium ion: N89 (= N89), K158 (= K158)

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)
41% identity, 100% coverage: 1:246/246 of query aligns to 1:243/244 of P0A2C9

query
sites
P0A2C9

M

M

K

S

L

F

N

E

G

G

K

K

V

I

A

A

I

L

I

V

T

T

G

G

A

A

G

S

Q

R

G

G

I

I

G

G

A

R

A

A

T

I

A

A

L

E

K

T

F

L

A

V

S

A

E

R

G

G

A

A

V

K

V

V

I

I

A

G

C

T

D

A

M

T

N

S

L

E

D

N

A

G

V

A

A

K

T

N

V

I

A

S

H

D

L

Y

C

L

R

-

E

-

A

-

G

G

G

A

K

N

A

G

D

K

A

G

F

L

A

M

V

L

D

N

V

V

T

T

N

D

R

P

T

A

Q

S

V

I

D

E

E

S

M

V

V

L

A

E

K

N

V

I

R

R

G

A

T

E

Y

F

G

G

R

E

I

V

D

D

V

I

V

L

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

A

N

R

L

L

L

Q

M

K

R

M

M

T

K

L

D

Q

D

Q

E

F

W

D

N

D

D

V

I

I

I

D

E

V

T

N

N

L

L

R

S

G

S

V

V

F

F

H

R

T

L

A

S

Q

K

A

A

V

V

V

M

D

R

T

A

M
|
M

I

M

E

K

Q

K

G

R

S

C

G

G

V

R

I

I

L

I

N

T

A

I

S

G

S

S

V

V

G

G

V

T

Y

M

G

G

N

N

Y

A

G

G

Q

Q

T

A

N

N

Y

Y

A

A

K

K

F

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

T

S

W

L

S

A

R

R

E

E

L

V

G

A

P

S

K

R

G

G

I

I

R

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

F

F

I

I

D

E

T

T

P

D

I

M

L

T

K

R

T

A

I

L

P

S

E

D

D

D

V

Q

L

R

T

A

K

G

M

I

R

L

D

A

Q

Q

V

V

P

P

L

A

R

G

R

R

L

L

G

G

K

G

P

A

E

Q

E

E

I

I

A

A

S

S

I

A

Y

V

A

A

F

F

L

L

A
|
A

S
|
S

D

D

E

E

A

A

S

S

Y

Y

V

I

N

T

G

G

A

E

V

T

I

L

E

H

A

V

T

N

G

G

L

M

T

Y

L

M

M125 (= M128) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (= A226) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (= S227) 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.

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
45% identity, 98% coverage: 6:246/246 of query aligns to 2:239/239 of 3sj7A

query
sites
3sj7A

K

K

V

S

A

A

I

L

I

V

T

T

G
|
G

A

A

G
x
S

Q
x
R

G
|
G

I
|
I

G

G

A

R

A

S

T

I

A

A

L

L

K

Q

F

L

A

A

S

E

E

E

G

G

-

Y

A

N

V

V

V

A

I

V

A
x
N

C
x
Y

D
x
A

M
x
G

N
x
S

L

K

D

E

A

K

V

A

A

E

T

A

V

V

A

V

H

E

L

E

C

I

R

K

E

A

A

K

G

G

G

V

K

D

A

S

D

F

A

A

F

I

A

Q

V
x
A

D
x
N

V
|
V

T

A

N

D

R

A

T

D

Q

E

V

V

D

K

E

A

M

M

V

I

A

K

K

E

V

V

R

V

G

S

T

Q

Y

F

G

G

R

S

I

L

D

D

V

V

V

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

A

N

R

L

L

L

Q

M

K

R

M

M

T

K

L

E

Q

Q

Q

E

F

W

D

D

V

V

I

I

D

D

V
x
T

N

N

L

L

R

K

G

G

V

V

F

F

H

N

T

C

A

I

Q

Q

A

K

V

A

V

T

D

P

T

Q

M

M

I

L

E

R

Q

Q

G

R

S

S

G

G

V

A

I

I

L

I

N

N

A

L

S

S

S
|
S

V

V

G

G

V

A

Y

V

G

G

N

N

Y

P

G

G

Q
|
Q

T

A

N

N

Y
|
Y

A

V

A

A

A

T

K
|
K

F

A

G

G

V

V

I

I

G

G

F

L

T

T

K

K

T

S

W

A

S

A

R

R

E

E

L

L

G

A

P

S

K

R

G

G

I

I

R

T

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

F

F

I

I

D

V

T

S

P

D

I

M

L

T

K

D

T

E

I

L

P

K

E

E

D

Q

V

M

L

L

T

T

K

-

M

-

R

-

D

-

Q

Q

V

I

P

P

L

L

R

A

R

R

L

F

G

G

K

Q

P

D

E

T

E

D

I

I

A

A

S

N

I

T

Y

V

A

A

F

F

L

L

A

A

S

S

D

D

E

K

A

A

S

K

Y

Y

V

I

N

T

G

G

A

Q

V

T

I

I

E

H

A

V

T

N

G

G

L

M

T

Y

L

M

active site: G12 (= G16), S138 (= S141), Q148 (= Q151), Y151 (= Y154), K155 (= K158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G12), S10 (≠ G14), R11 (≠ Q15), I13 (= I17), N31 (≠ A34), Y32 (≠ C35), A33 (≠ D36), G34 (≠ M37), S35 (≠ N38), A58 (≠ V61), N59 (≠ D62), V60 (= V63), N86 (= N89), A87 (= A90), T109 (≠ V112), S138 (= S141), Y151 (= Y154), K155 (= K158), P181 (= P184), G182 (= G185)

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
41% identity, 99% coverage: 3:246/246 of query aligns to 2:242/243 of 1q7bA

query
sites
1q7bA

L

F

N

E

G

G

K

K

V

I

A

A

I

L

I

V

T

T

G
|
G

A

A

G
x
S

Q
x
R

G
|
G

I

I

G

G

A

R

A

A

T

I

A

A

L

E

K

T

F

L

A

A

S

A

E

R

G

G

A

A

V

K

V

V

I

I

A

G

C

T

D

A

M
x
T

N

S

L

E

D

N

A

G

V

A

A

Q

T

A

V

I

A

S

H

D

L

Y

C

L

R

-

E

-

A

-

G

G

G

A

K

N

A

G

D

K

A

G

F

L

A

M

V

L

D
x
N

V
|
V

T

T

N

D

R

P

T

A

Q

S

V

I

D

E

E

S

M

V

V

L

A

E

K

K

V

I

R

R

G

A

T

E

Y

F

G

G

R

E

I

V

D

D

V

I

V

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

A

N

R

L

L

L

Q

M

K

R

M

M

T

K

L

D

Q

E

Q
x
E

F

W

D

N

D

D

V

I

I

I

D

E

V

T

N

N

L

L

R

S

G

S

V

V

F

F

H

R

T

L

A

S

Q

K

A

A

V

V

V

M

D

R

T

A

M

M

I

M

E

K

Q

K

G

R

S

H

G

G

V

R

I

I

L

I

N

T

A

I

S

G

S
|
S

V

V

G

G

V

T

Y

M

G

G

N

N

Y

G

G

G

Q
|
Q

T

A

N

N

Y
|
Y

A

A

K
|
K

F

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

T

S

W

L

S

A

R

R

E

E

L

V

G

A

P

S

K

R

G

G

I

I

R

T

V

V

N

N

A

V

V

V

A

A

P
|
P

G
|
G

F

F

I
|
I

D

E

T

T

P

D

I

M

L

T

K

R

T

A

I

L

P

S

E

D

D

D

V

Q

L

R

T

A

K

G

M

I

R

L

D

A

Q

Q

V

V

P

P

L

A

R

G

R

R

L

L

G

G

K

G

P

A

E

Q

E

E

I

I

A

A

S

N

I

A

Y

V

A

A

F

F

L

L

A

A

S

S

D

D

E

E

A

A

S

A

Y

Y

V

I

N

T

G

G

A
x
E

V
x
T

I

L

E

H

A

V

T

N

G

G

L

M

T

Y

L

M

active site: G15 (= G16), E101 (≠ Q105), S137 (= S141), Q147 (= Q151), Y150 (= Y154), K154 (= K158)
binding calcium ion: E232 (≠ A236), T233 (≠ V237)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G12), S13 (≠ G14), R14 (≠ Q15), T36 (≠ M37), N58 (≠ D62), V59 (= V63), N85 (= N89), A86 (= A90), G87 (= G91), I88 (= I92), S137 (= S141), Y150 (= Y154), K154 (= K158), P180 (= P184), G181 (= G185), I183 (= I187)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
43% identity, 100% coverage: 1:246/246 of query aligns to 8:253/254 of 4ag3A

query
sites
4ag3A

M

M

K

S

L

L

N

Q

G

G

K

K

V

V

A

A

I

L

I

V

T

T

G
|
G

A

A

G
x
S

Q
x
R

G
|
G

I
|
I

G

G

A

Q

A

A

T

I

A

A

L

L

K

E

F

L

A

G

S

R

E

L

G

G

A

A

V

V

I

I

A

G

C

T

D

A

M
x
T

N

S

L

A

D

S

A

G

V

A

A

E

T

K

V

I

A

A

H

E

L

T

C

L

R

K

E

A

A

N

G

G

G

V

K

E

A

G

D

A

A

G

F

L

A

V

V
x
L

D
|
D

V
|
V

T

S

N

S

R

D

T

E

Q

S

V

V

D

A

E

A

M

T

V

L

A

E

K

H

V

I

R

Q

G

Q

T

H

Y

L

G

G

R

Q

I

P

D

L

V

I

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

A

N

R

L

L

L

Q

V

K

R

M

M

T

K

L

D

Q

D

Q

E

F

W

D

F

D

D

V

V

I

V

D

N

V

T

N

N

L

L

R

N

G

S

V

L

F

Y

H

R

T

L

A

S

Q

K

A

A

V

V

V

L

D

R

T

G

M

M

I

T

E

K

Q

A

G

R

S

W

G

G

V

R

I

I

L

I

N

N

A
x
I

S

G

S
|
S

V

V

G

G

V

A

Y

M

G

G

N

N

Y

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

K
|
K

F

A

G

G

V

L

I

E

G

G

F

F

T

T

K

R

T

A

W

L

S

A

R

R

E

E

L

V

G

G

P

S

K

R

G

A

I

I

R

T

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

D

D

T
|
T

P

D

I
x
M

L
x
T

K

R

T

E

I

L

P

P

E

E

D

A

V

Q

L

R

T

E

K

A

M

L

R

L

D

G

Q

Q

V

I

P

P

L

L

R

G

R

R

L

L

G

G

K

Q

P

A

E

E

I

I

A

A

S

K

I

V

Y

V

A

G

F

F

L

L

A

A

S

S

D

D

E

G

A

A

S

A

Y

Y

V

V

N

T

G

G

A

A

V

T

I

V

E

P

A

V

T

N

G

G

L

M

T

Y

L

M

active site: G23 (= G16), S148 (= S141), Y161 (= Y154), K165 (= K158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G12), S21 (≠ G14), R22 (≠ Q15), G23 (= G16), I24 (= I17), T44 (≠ M37), L68 (≠ V61), D69 (= D62), V70 (= V63), N96 (= N89), A97 (= A90), I146 (≠ A139), S148 (= S141), Y161 (= Y154), K165 (= K158), P191 (= P184), G192 (= G185), F193 (= F186), I194 (= I187), T196 (= T189), M198 (≠ I191), T199 (≠ L192)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
40% identity, 99% coverage: 3:246/246 of query aligns to 2:242/243 of 1q7cA

query
sites
1q7cA

L

F

N

E

G

G

K

K

V

I

A

A

I

L

I

V

T

T

G
|
G

A

A

G
x
S

Q
x
R

G
|
G

I

I

G

G

A

R

A

A

T

I

A

A

L

E

K

T

F

L

A

A

S

A

E

R

G

G

A

A

V

K

V

V

I

I

A

G

C

T

D
x
A

M
x
T

N

S

L

E

D

N

A

G

V

A

A

Q

T

A

V

I

A

S

H

D

L

Y

C

L

R

-

E

-

A

-

G

G

G

A

K

N

A

G

D

K

A

G

F

L

A

M

V
x
L

D
x
N

V
|
V

T

T

N

D

R

P

T

A

Q

S

V

I

D

E

E

S

M

V

V

L

A

E

K

K

V

I

R

R

G

A

T

E

Y

F

G

G

R

E

I

V

D

D

V

I

V

L

V

V

N

N

A

A

G
|
G

I
|
I

T

T

R

R

D

D

A

N

R

L

L

L

Q

M

K

R

M

M

T

K

L

D

Q

E

F

W

D

N

D

D

V

I

I

I

D

E

V

T

N

N

L

L

R

S

G

S

V

V

F

F

H

R

T

L

A

S

Q

K

A

A

V

V

V

M

D

R

T

A

M

M

I

M

E

K

Q

K

G

R

S

H

G

G

V

R

I

I

L

I

N

T

A

I

S

G

S
|
S

V

V

G

G

V

T

Y

M

G

G

N

N

Y

G

G

G

Q
|
Q

T

A

N

N

Y
x
F

A

A

K
|
K

F

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

T

S

W

L

S

A

R

R

E

E

L

V

G

A

P

S

K

R

G

G

I

I

R

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

F

F

I

I

D

E

T

T

P

D

I

M

L

T

K

R

T

A

I

L

P

S

E

D

D

D

V

Q

L

R

T

A

K

G

M

I

R

L

D

A

Q

Q

V

V

P

P

L

A

R

G

R

R

L

L

G

G

K

G

P

A

E

Q

E

E

I

I

A

A

S

N

I

A

Y

V

A

A

F

F

L

L

A

A

S

S

D

D

E

E

A

A

S

A

Y

Y

V

I

N

T

G

G

A

E

V

T

I

L

E

H

A

V

T

N

G

G

L

M

T

Y

L

M

active site: G15 (= G16), S137 (= S141), Q147 (= Q151), F150 (≠ Y154), K154 (= K158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G12), S13 (≠ G14), R14 (≠ Q15), A35 (≠ D36), T36 (≠ M37), L57 (≠ V61), N58 (≠ D62), V59 (= V63), G87 (= G91), I88 (= I92)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
41% identity, 100% coverage: 1:246/246 of query aligns to 1:243/244 of 6t77A

query
sites
6t77A

M

M

K

S

L

F

N

E

G

G

K

K

V

I

A

A

I

L

I

V

T

T

G
|
G

A

A

G
x
S

Q
x
R

G
|
G

I

I

G

G

A

R

A

A

T

I

A

A

L

E

K

T

F

L

A

V

S

A

E

R

G

G

A

A

V

K

V

V

I

I

A

G

C

T

D

A

M
x
T

N

S

L

E

D

S

A

G

V

A

A

Q

T

A

V

I

A

S

H

D

L

Y

C

L

R

-

E

-

A

-

G

G

G

A

K

N

A

G

D

K

A

G

F

L

A

M

V
x
L

D
x
N

V
|
V

T

T

N

D

R

P

T

A

Q

S

V

I

D

E

E

S

M

V

V

L

A

E

K

N

V

V

R

R

G

A

T

E

Y

F

G

G

R

E

I

V

D

D

V

I

V

L

V

V

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

A

N

R

L

L

L

Q

M

K

R

M

M

T

K

L

D

Q

D

Q

E

F

W

D

N

D

D

V

I

I

I

D

E

V

T

N

N

L

L

R

S

G

S

V

V

F

F

H

R

T

L

A

S

Q

K

A

A

V

V

V

M

D

R

T

A

M

M

I

M

E

K

Q

K

G

R

S

H

G

G

V

R

I

I

L

I

N

T

A

I

S

G

S
|
S

V

V

G

G

V

T

Y

M

G

G

N

N

Y

A

G

G

Q

Q

T

A

N

N

Y
|
Y

A

A

K

K

F

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

T

S

W

L

S

A

R

R

E

E

L

V

G

A

P

S

K

R

G

G

I

I

R

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

F

F

I

I

D

E

T

T

P

D

I

M

L

T

K

R

T

A

I

L

P

T

E

D

D

E

V

Q

L

R

T

A

K

G

M

T

R

L

D

A

Q

A

V

V

P

P

L

A

R

G

R

R

L

L

G

G

K

T

P

P

E

N

E

E

I

I

A

A

S

S

I

A

Y

V

A

A

F

F

L

L

A

A

S

S

D

D

E

E

A

A

S

S

Y

Y

V

I

N

T

G

G

A

E

V

T

I

L

E

H

A

V

T

N

G

G

L

M

T

Y

L

M

active site: G16 (= G16), S138 (= S141), Y151 (= Y154)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G12), S14 (≠ G14), R15 (≠ Q15), T37 (≠ M37), L58 (≠ V61), N59 (≠ D62), V60 (= V63), A87 (= A90), G88 (= G91), I89 (= I92)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
42% identity, 100% coverage: 1:246/246 of query aligns to 4:242/243 of 4i08A

query
sites
4i08A

M

M

K

N

L

L

N

E

G

G

K

K

V

V

A

A

I

L

I

V

T

T

G
|
G

A

A

G
x
S

Q
x
R

G
|
G

I
|
I

G

G

A

K

A

A

T

I

A

A

L

E

K

L

F

L

A

A

S

E

E

R

G

G

A

A

V

K

V

V

I

I

A

G

C

T

D

A

M
x
T

N

S

L

E

D

S

A

G

V

A

A

Q

T

A

V

I

A

S

H

D

L

Y

C

L

R

-

E

-

A

-

G

G

G

D

K

N

A

G

D

K

A

G

F

M

A

A

V

L

D
x
N

V
|
V

T

T

N

N

R

P

T

E

Q

S

V

I

D

E

E

A

M

V

V

L

A

K

K

A

V

I

R

T

G

D

T

E

Y

F

G

G

R

G

I

V

D

D

V

I

V

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

A

N

R

L

L

L

Q

M

K

R

M

M

T

K

L

E

Q

E

F

W

D

S

D

D

V

I

I

M

D

E

V

T

N
|
N

L

L

R

T

G

S

V

I

F

F

H

R

T

L

A

S

Q

K

A

A

V

V

V

L

D

R

T

G

M

M

I

M

E

K

Q

K

G

R

S

Q

G

G

V

R

I

I

L

I

N

N

A

V

S
x
G

S
|
S

V

V

G

G

V

T

Y

M

G

G

N

N

Y

A

G

G

Q
|
Q

T

A

N

N

Y
|
Y

A

A

K
|
K

F

A

G

G

V

V

I

I

G

G

F

F

T

T

K

K

T

S

W

M

S

A

R

R

E

E

L

V

G

A

P

S

K

R

G

G

I

V

R

T

V

V

N

N

A

T

V

V

A

A

P
|
P

G
|
G

F

F

I

I

D

E

T
|
T

P

D

I

-

L

-

K

-

T

-

I

M

P

N

E

D

D

E

V

Q

L

R

T

T

K

A

M

T

R

L

D

A

Q

Q

V

V

P

P

L

A

R

G

R

R

L

L

G

G

K

D

P

P

E

R

E

E

I

I

A

A

S

S

I

A

Y

V

A

A

F

F

L

L

A

A

S

S

D

P

E

E

A

A

S

A

Y

Y

V

I

N

T

G

G

A

E

V

T

I

L

E

H

A

V

T

N

G

G

L

M

T

Y

L

M

active site: G19 (= G16), N113 (= N113), S141 (= S141), Q151 (= Q151), Y154 (= Y154), K158 (= K158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G12), S17 (≠ G14), R18 (≠ Q15), I20 (= I17), T40 (≠ M37), N62 (≠ D62), V63 (= V63), N89 (= N89), A90 (= A90), G140 (≠ S140), S141 (= S141), Y154 (= Y154), K158 (= K158), P184 (= P184), G185 (= G185), T189 (= T189)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
40% identity, 99% coverage: 3:246/246 of query aligns to 2:242/243 of 7emgB

query
sites
7emgB

L

F

N

E

G

G

K

K

V

I

A

V

I

L

I

V

T

T

G
|
G

A

A

G
x
S

Q
x
R

G

G

I

I

G

G

A

R

A

A

T

I

A

A

L

E

K

T

F

F

A

V

S

A

E

R

G

G

A

A

V

K

V

V

I

I

A

G

C

T

D

A

M
x
T

N

S

L

E

D

S

A

G

V

A

A

E

T

A

V

I

A

S

H

G

L

Y

C

L

R

-

E

-

A

-

G

G

G

A

K

N

A

G

D

K

A

G

F

F

A

M

V

L

D
x
N

V
|
V

T

K

N

D

R

A

T

Q

Q

S

V

I

D

D

E

S

M

V

V

L

A

A

K

S

V

I

R

R

G

A

T

E

Y

F

G

G

R

E

I

I

D

D

V

I

V

L

V

V

N

N

A

A

G

G

I
|
I

T

T

R

R

D

D

A

N

R

L

L

L

Q

M

K

R

M

M

T

K

L

D

Q

D

Q

E

F

W

D

E

D

D

V

I

I

L

D

D

V

T

N

N

L

L

R

T

G

S

V

V

F

F

H

R

T

L

A

S

Q

K

A

A

V

V

V

M

D

C

T

A

M

M

I

M

E

K

Q

K

G

R

S

F

G

G

V

R

I

I

L

I

N

T

A

I

S

G

S

S

V

V

G

G

V

T

Y

M

G

G

N

N

Y

A

G

G

Q

Q

T

A

N

N

Y

Y

A

A

K

K

F

A

G

G

V

L

I

I

G

G

F

F

T

S

K

K

T

S

W

L

S

A

R

R

E

E

L

V

G

A

P

S

K

R

G

G

I

I

R

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

F

Y

I

I

D

E

T

T

P

D

I

M

L

T

K

R

T

A

I

L

P

T

E

D

D

D

V

Q

L

R

T

A

K

G

M

I

R

L

D

S

Q

S

V

V

P

P

L

A

R

N

R

R

L

P

G

G

K

D

P

A

E

K

E

E

I

I

A

A

S

S

I

A

Y

V

A

A

F

F

L

L

A

A

S

S

D

D

E

E

A

A

S

G

Y

Y

V

I

N

T

G

G

A

E

V

T

I

L

E

H

A

V

T

N

G

G

L

M

T

Y

L

M

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G12), S13 (≠ G14), R14 (≠ Q15), T36 (≠ M37), N58 (≠ D62), V59 (= V63), I88 (= I92)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
39% identity, 98% coverage: 6:246/246 of query aligns to 6:243/244 of 6t62A

query
sites
6t62A

K

K

V

V

A

A

I

L

I

V

T

T

G
|
G

A

A

G
x
S

Q
x
R

G
|
G

I

I

G

G

A

A

T

I

A

A

L

Q

K

Q

F

L

A

I

S

Q

E

D

G

G

A

Y

V

F

V

V

I

V

A

G

C

T

D
x
A

M
x
T

N

-

L

-

D

-

A

S

V

E

A

S

T

G

V

A

A

Q

H

K

L

L

C

T

R

D

E

S

A

F

G

G

G

E

K

Q

A

G

D

A

A

G

F

L

A

A

V
x
L

D
|
D

V
|
V

T

R

N

N

R

L

T

D

Q

E

V

I

D

E

E

A

M

V

V

V

A

S

K

H

V

I

R

E

G

Q

T

N

Y

Y

G

G

R

P

I

V

D

L

V

V

V

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

K

D

D

A

N

R

L

L

L

Q

L

K

R

M

M

T

S

L

E

Q

D

F

W

D

D

V

I

I

L

D

N

V

I

N

H

L

L

R

K

G

A

V

V

F

Y

H

R

T

L

A

S

Q

K

A

R

V

V

V

L

D

K

T

G

M

M

I

T

E

K

Q

A

G

R

S

F

G

G

V

R

I

I

L

I

N

N

A
x
I

S
|
S

V

V

G

A

V

H

Y

F

G

A

N

N

Y

P

G

G

Q

Q

T

A

N

N

Y
|
Y

A

S

A

A

K
|
K

F

A

G

G

V

I

I

E

G

A

F

F

T

S

K

R

T

S

W

L

S

A

R

K

E

E

L

M

G

G

P

S

K

R

G

Q

I

I

R

T

V

V

N

N

A

S

V

V

A

A

P
|
P

G
|
G

F

F

I
|
I

D

A

T

T

P

E

I
x
M

L

T

K

D

T

A

I

L

P

S

E

E

D

D

V

I

L

R

T

K

K

K

M

M

R

S

D

D

Q

Q

V

V

P

A

L

L

R

N

R

R

L

L

G

G

K

E

P

P

E

Q

E

D

I

I

A

A

S

N

I

A

Y

V

A

S

F

F

L

L

A

A

S

S

D

D

E

K

A

A

S

G

Y

Y

V

I

N

T

G

G

A

T

V

V

I

L

E

H

A

V

T

N

G

G

L

L

T

Y

L

M

active site: G16 (= G16), S138 (= S141), Y151 (= Y154)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G12), S14 (≠ G14), R15 (≠ Q15), A36 (≠ D36), T37 (≠ M37), L58 (≠ V61), D59 (= D62), V60 (= V63), N86 (= N89), A87 (= A90), G88 (= G91), I89 (= I92), I136 (≠ A139), S137 (= S140), S138 (= S141), Y151 (= Y154), K155 (= K158), P181 (= P184), G182 (= G185), I184 (= I187), M188 (≠ I191)

Query Sequence

>H281DRAFT_00643 H281DRAFT_00643 3-oxoacyl-[acyl-carrier-protein] reductase
MKLNGKVAIITGAGQGIGAATALKFASEGAVVIACDMNLDAVATVAHLCREAGGKADAFA
VDVTNRTQVDEMVAKVRGTYGRIDVVVNNAGITRDARLQKMTLQQFDDVIDVNLRGVFHT
AQAVVDTMIEQGSGVILNASSVVGVYGNYGQTNYAAAKFGVIGFTKTWSRELGPKGIRVN
AVAPGFIDTPILKTIPEDVLTKMRDQVPLRRLGKPEEIASIYAFLASDEASYVNGAVIEA
TGGLTL

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