SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Synpcc7942_0684 Synpcc7942_0684 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)

4dmmB 3-oxoacyl-[acyl-carrier-protein] reductase from synechococcus elongatus pcc 7942 in complex with NADP
98% identity, 99% coverage: 4:249/249 of query aligns to 1:240/240 of 4dmmB

query
sites
4dmmB

L

L

P

P

L

L

T

T

D

D

R

R

I

I

A

A

L

L

V

V

T

T

G
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G

A

A

S
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S

R
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R

G
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G

I
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I

G

G

R

R

A

A

I

I

A

A

L

L

E

E

L

L

A

A

G

G

A

A

K

K

V

V

A

A

V

V

N

N

Y

Y

A
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A

S
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S

A

A

G

G

A

A

D

D

E

E

V

V

A

A

I

I

A

A

G

G

E

E

A

A

F

F

A

A

V

V

K

K

A
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A

D
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D

V
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V

S

S

Q

Q

E

E

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S

E

E

V

V

E

E

A

A

L

L

F

F

A

A

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V

I

I

E

E

R

R

W

W

G

G

R

R

L

L

D

D

V

V

L

L

V

V

N

N

N
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N

A
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A

G

G

I

I

T

T

R

R

D

D

T

T

L

L

R

R

M

M

K

K

R

R

D

D

W

W

Q

Q

S

S

V

V

L

L

D

D

L
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L

N

N

L

L

G

G

V

V

F

F

L

L

C

C

S

S

R

R

A

A

K

K

I

I

M

M

L

L

K

K

Q

Q

R

R

S

S

G

G

R

R

I

I

N

N

I
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I

A

A

S
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S

V

V

G

G

E

E

M

M

G

G

N

N

P

P

G

G

Q
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Q

A

A

N

N

Y
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Y

S

S

A

A

K
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K

A

A

G

G

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V

I

I

G

G

L

L

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T

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K

T

T

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V

A

A

K

K

E

E

L

L

A

A

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S

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R

G

G

I

I

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T

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V

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N

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A

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V

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P

G
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G

F

F

I
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I

A

A

T
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T

D

D

M
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M

T

T

S

S

E

-

L

-

A

-

E

-

K

-

L

L

E

E

V

V

I

I

P

P

L

L

G

G

R

R

Y

Y

G

G

E

E

A

A

E

E

V

V

A

A

G

G

V

V

R

R

F

F

L

L

A

A

D

D

P

P

A

A

Y

Y

I

I

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T

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G

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Q

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V

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I

N

N

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I

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D

G

G

L

L

V

V

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M

A

A

active site: G16 (= G19), S142 (= S145), Q152 (= Q155), Y155 (= Y158), K159 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G15), S14 (= S17), R15 (= R18), G16 (= G19), I17 (= I20), A37 (= A40), S38 (= S41), S39 (= S42), A62 (= A65), D63 (= D66), V64 (= V67), N90 (= N93), A91 (= A94), L113 (= L116), I140 (= I143), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), G186 (= G189), I188 (= I191), T190 (= T193), M192 (= M195)

P73574 3-oxoacyl-[acyl-carrier-protein] reductase; 3-ketoacyl-acyl carrier protein reductase; EC 1.1.1.100 from Synechocystis sp. (strain PCC 6803 / Kazusa) (see paper)
71% identity, 100% coverage: 1:248/249 of query aligns to 1:246/247 of P73574

query
sites
P73574

M

M

T

T

A

A

L

L

P

-

L

-

T

T

D

A

R

Q

I

V

A

A

L

L

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V

T

T

G

G

A
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A

S

S

R

R

G

G

I

I

G

G

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K

A

A

I

T

A

A

L

L

E

A

L

L

A

A

A

T

G

G

A

M

K

K

V

V

A

V

V

V

N

N

Y

Y

A

A

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S

S

A

S

G

T

A

A

D

D

E

A

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V

A

A

A

E

I

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A

I

A

A

A

N

G

G

E

E

A

A

F

I

A

A

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A

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D

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L

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W

F

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D

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L

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V

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A

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G

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I

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T

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D

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T

L

L

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R

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M

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R

L

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E

D

D

W

W

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Q

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A

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I

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D

L

L

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N

L

L

G

T

G

G

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V

F

F

L

L

C

C

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A

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M

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K

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G

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R

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I

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N

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I

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T

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S

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V

V

A

G

G

E

M

M

M

G

G

N

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P
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P

G

G

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Q

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A

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N

Y

Y

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S

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K
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K

A

A

G

G

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V

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I

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G

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F

T

T

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K

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A

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K

E

E

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L

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G

G

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T

V

V

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N

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A

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V

A

A

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P

G

G

F
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F

I

I

A

A

T

T

D

D

M

M

T

T

S

E

E

N

L

L

A
x
N

A

A

E

E

K

P

L

I

L

L

E

Q

V

F

I

I

P

P

L

L

G

A

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R

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Y

G

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A

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E

E

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A

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R

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F

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L

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A

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D

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P

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A

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Y

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I

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G

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Q

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F

N

N

I

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D

D

G

G

L

M

V

V

M

M

A14 (= A16) mutation to G: 4.2-fold increase in activity on acetoacetyl-CoA.
P151 (= P153) mutation to F: 2.7-fold increase in activity on acetoacetyl-CoA.; mutation to V: 5.7-fold increase in activity on acetoacetyl-CoA.
K160 (= K162) mutation to A: Almost no activity on acetoacetyl-CoA.
F188 (= F190) mutation to Y: 3.3-fold increase in activity on acetoacetyl-CoA.
N198 (≠ A200) mutation to R: 3.5-fold increase in activity on acetoacetyl-CoA.

1edoA The x-ray structure of beta-keto acyl carrier protein reductase from brassica napus complexed with NADP+ (see paper)
63% identity, 95% coverage: 10:246/249 of query aligns to 3:242/244 of 1edoA

query
sites
1edoA

I

V

A

V

L

V

V

V

T

T

G
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G

A

A

S
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S

R
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R

G
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G

I
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I

G

G

R

K

A

A

I

I

A

A

L

L

E

S

L

L

A

G

A

K

A

A

G

G

A

C

K

K

V

V

A

L

V

V

N
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N

Y
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Y

A
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A

S
x
R

S
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S

A

A

G

K

A

A

D

E

E

E

V

V

V

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K

A

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I

I

A

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A

A

A

Y

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A

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G

G

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L

V

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V

N

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N

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A

G

G

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I

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R

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D

T

T

L

L

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R

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M

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K

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Q

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W

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I

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D

L

L

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N

L

L

G

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G

G

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F

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L

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C

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A

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K

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M

M

L

M

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K

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K

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R

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K

G

G

R

R

I

I

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N

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A

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S
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S

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V

G

G

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M

I

G

G

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N

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G

G

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A

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Y

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A

A

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K

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A

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G

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V

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I

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K

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A

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G

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A

C

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P

G
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G

F

F

I
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I

A

A

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x
S

D

D

M
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M

T

T

S

A

E

K

L

L

A

G

A

E

E

D

-

M

-

E

-

K

K

K

L

I

L

L

E

G

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I

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P

L

L

G

G

R

R

Y

T

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G

E

Q

A

P

A

E

E

N

V

V

A

A

G

G

V

L

V

V

R

E

F

F

L

L

A

A

A

L

D

S

P

P

A

A

A

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Y

Y

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G

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I

F

N

T

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D

G

G

L

I

active site: G12 (= G19), S138 (= S145), Y151 (= Y158), K155 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G15), S10 (= S17), R11 (= R18), I13 (= I20), N31 (= N38), Y32 (= Y39), A33 (= A40), R34 (≠ S41), S35 (= S42), D59 (= D66), V60 (= V67), N86 (= N93), A87 (= A94), S138 (= S145), Y151 (= Y158), K155 (= K162), P181 (= P188), G182 (= G189), I184 (= I191), S186 (≠ T193), M188 (= M195)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
60% identity, 96% coverage: 9:248/249 of query aligns to 2:239/239 of 3sj7A

query
sites
3sj7A

R

K

I

S

A

A

L

L

V

V

T

T

G
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G

A

A

S
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S

R
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R

G
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G

I
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I

G

G

R

R

A

S

I

I

A

A

L

L

E

Q

L

L

A

A

A

E

G

G

A

Y

K

N

V

V

A

A

V

V

N
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N

Y
|
Y

A
|
A

S
x
G

S
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S

A

K

G

E

A

K

A

A

D

E

E

A

V

V

A

E

I

I

A

K

A

A

A

K

G

G

G

V

E

D

A

S

F

F

A

A

V

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K

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A
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A

D
x
N

V
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V

S

A

Q

D

E

A

S

D

E

E

V

V

E

K

A

A

L

M

F

I

A

K

A

E

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I

V

E

S

R

Q

W

F

G

G

R

S

L

L

D

D

V

V

L

L

V

V

N

N

N
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N

A
|
A

G

G

I

I

T

T

R

R

D

D

T

N

L

L

L

M

R

R

M

M

K

K

R

E

D

Q

D

E

W

W

Q

D

S

D

V

V

L

I

D

D

L
x
T

N

N

L

L

G

K

G

G

V

V

F

F

L

N

C

C

S

I

R

Q

A

K

A

A

A

T

K

P

I

Q

M

M

L

L

K

R

Q

Q

R

R

S

S

G

G

R

A

I

I

N

N

I

L

A

S

S
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S

V

V

G

G

E

A

M

V

G

G

N

N

P

P

G

G

Q
|
Q

A

A

N

N

Y
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Y

S

V

A

A

A

T

K
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K

A

A

G

G

V

V

I

I

G

G

L

L

T

T

K

K

T

S

V

A

A

A

K

R

E

E

L

L

A

A

S

S

R

R

G

G

I

I

T

T

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

F

F

I

I

A

V

T

S

D

D

M

M

T

T

S

D

E

E

L

L

A

-

A

K

E

E

K

Q

L

M

L

L

E

T

V

Q

I

I

P

P

L

L

G

A

R

R

Y

F

G

G

E

Q

A

D

A

T

E

D

V

I

A

A

G

N

V

T

V

V

R

A

F

F

L

L

A

A

A

S

D

D

P

K

A

-

A

A

A

K

Y

Y

I

I

T

T

G

G

Q

Q

V

T

I

I

N

H

I

V

D

N

G

G

L

M

V

Y

M

M

active site: G12 (= G19), S138 (= S145), Q148 (= Q155), Y151 (= Y158), K155 (= K162)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G15), S10 (= S17), R11 (= R18), I13 (= I20), N31 (= N38), Y32 (= Y39), A33 (= A40), G34 (≠ S41), S35 (= S42), A58 (= A65), N59 (≠ D66), V60 (= V67), N86 (= N93), A87 (= A94), T109 (≠ L116), S138 (= S145), Y151 (= Y158), K155 (= K162), P181 (= P188), G182 (= G189)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
59% identity, 96% coverage: 9:248/249 of query aligns to 5:246/246 of 3osuA

query
sites
3osuA

R

K

I

S

A

A

L

L

V

V

T

T

G

G

A

A

S

S

R

R

G
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G

I

I

G

G

R

R

A

S

I

I

A

A

L

L

E

Q

L

L

A

A

A

E

G

G

A

Y

K

N

V

V

A

A

V

V

N

N

Y

Y

A

A

S

G

S

S

A

K

G

E

A

K

A

A

D

E

E

A

V

V

A

E

I

I

A

K

A

A

A

K

G

G

G

V

E

D

A

S

F

F

A

A

V

I

K

Q

A

A

D

N

V

V

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A

Q

D

E

A

S

D

E

E

V

V

E

K

A

A

L

M

F

I

A

K

A

E

V

V

I

V

E

S

R

Q

W

F

G

G

R

S

L

L

D

D

V

V

L

L

V

V

N

N

N
|
N

A

A

G

G

I

I

T

T

R

R

D

D

T

N

L

L

L

M

R

R

M

M

K

K

R

E

D

Q

D

E

W

W

Q

D

S

D

V

V

L

I

D

D

L

T

N

N

L

L

G

K

G

G

V

V

F

F

L

N

C

C

S

I

R

Q

A

K

A

A

A

T

K

P

I

Q

M

M

L

L

K

R

Q

Q

R

R

S

S

G

G

R

A

I

I

N

N

I

L

A

S

S
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S

V

V

G

G

E

A

M

V

G

G

N

N

P

P

G

G

Q
|
Q

A

A

N

N

Y
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Y

S

V

A

A

A

T

K
|
K

A

A

G

G

V

V

I

I

G

G

L

L

T

T

K

K

T

S

V

A

A

A

K

R

E

E

L

L

A

A

S

S

R

R

G

G

I

I

T

T

V

V

N

N

A

A

V

V

A

A

P

P

G

G

F

F

I

I

A

V

T

S

D

D

M

M

T

T

S

D

E

A

L

L

A

S

-

D

-

E

-

L

A

K

E

E

K

Q

L

M

L

L

E

T

V

Q

I

I

P

P

L

L

G

A

R

R

Y

F

G

G

E

Q

A

D

A

T

E

D

V

I

A

A

G

N

V

T

V

V

R

A

F

F

L

L

A

A

A

S

D

D

P

K

A

-

A

A

A

K

Y

Y

I

I

T

T

G

G

Q

Q

V

T

I

I

N

H

I

V

D

N

G

G

L

M

V

Y

M

M

active site: G15 (= G19), S141 (= S145), Q151 (= Q155), Y154 (= Y158), K158 (= K162)
binding magnesium ion: N89 (= N93), K158 (= K162)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
57% identity, 98% coverage: 4:248/249 of query aligns to 1:247/247 of 4jroC

query
sites
4jroC

L

M

P

T

L

L

T

Q

D

G

R

K

I

V

A

A

L

V

V

V

T

T

G
|
G

A

G

S
|
S

R
|
R

G
|
G

I
|
I

G

G

R

R

A

D

I

I

A

A

L

I

E

N

L

L

A

A

A

K

A

E

G

G

A

A

K

N

V

I

A

F

V

F

N
|
N

Y
|
Y

A
x
N

S
x
G

S
|
S

A

P

G

E

A

A

D

E

E

E

V

T

V

A

A

K

A

L

I

V

A

A

A

E

A

H

G

G

G

V

E

E

A

V

F

E

A

A

V

M

K

K

A

A

D
x
N

V
|
V

S

A

Q

I

E

A

S

E

E

D

V

V

E

D

A

A

L

F

F

F

A

K

A

Q

V

A

I

I

E

E

R

R

W

F

G

G

R

R

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I
|
I

T

T

R

R

D

D

T

N

L

L

L

M

R

R

M

M

K

K

R

E

D

D

D

E

W

W

Q

D

S

D

V

V

L

I

D

N

L
x
I

N

N

L

L

G

K

G

G

V

T

F

F

L

L

C

C

S

T

R

K

A

A

A

V

A

S

K

R

I

T

M

M

L

M

K

K

Q

Q

R

R

S

A

G

G

R

K

I

I

N

N

I

M

A

A

S
|
S

V

V

G

G

E

L

M

I

G

G

N

N

P

A

G

G

Q
|
Q

A

A

N

N

Y
|
Y

S

V

A

A

A

S

K
|
K

A

A

G

G

V

V

I

I

G

G

L

L

T

T

K

K

T

T

V

T

A

A

K

R

E

E

L

L

A

A

S

P

R

R

G

G

I

I

T

N

V

V

N

N

A

A

V

V

A

A

P
|
P

G

G

F

F

I
|
I

A

T

T
|
T

D

D

M

M

T

T

S

D

E

K

L

L

-

D

-

E

-

K

A

T

A

K

E

E

K

A

L

M

L

L

E

A

V

Q

I

I

P

P

L

L

G

G

R

A

Y

Y

G

G

E

T

A

T

A

E

E

D

V

I

A

A

G

N

V

A

V

V

R

L

F

F

L

L

A

A

A

S

D

D

P

-

A

A

A

S

A

K

Y

Y

I

I

T

T

G

G

Q

Q

V

T

I

L

N

S

I

V

D

D

G

G

L

M

V

V

M

M

active site: G16 (= G19), S142 (= S145), Q152 (= Q155), Y155 (= Y158), K159 (= K162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G15), S14 (= S17), R15 (= R18), G16 (= G19), I17 (= I20), N35 (= N38), Y36 (= Y39), N37 (≠ A40), G38 (≠ S41), S39 (= S42), N63 (≠ D66), V64 (= V67), N90 (= N93), A91 (= A94), I93 (= I96), I113 (≠ L116), S142 (= S145), Y155 (= Y158), K159 (= K162), P185 (= P188), I188 (= I191), T190 (= T193)

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)
50% identity, 98% coverage: 4:248/249 of query aligns to 4:246/247 of 3op4A

query
sites
3op4A

L

M

P

N

L

L

T

E

D

G

R

K

I

V

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G

G

I
|
I

G

G

R

K

A

A

I

I

A

A

L

E

E

L

L

L

A

A

A

E

A

R

G

G

A

A

K

K

V

V

A

I

V

G

N

T

Y

A

A
x
T

S

S

S

E

A

S

G

G

A

A

A

-

D

-

E

Q

V

A

V

I

A

S

A

D

I

Y

A

L

A

G

A

D

G

N

G

G

E

K

A

G

F

M

A

A

V

L

K

-

A

-

D
x
N

V
|
V

S

T

Q

N

E

P

S

E

E

S

V

I

E

E

A

A

L

V

F

L

A

K

A

A

V

I

I

T

E

D

R

E

W

F

G

G

R

G

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I
|
I

T

T

R

R

D

D

T

N

L

L

L

M

R

R

M

M

K

K

R

E

D

E

W

W

Q

S

S

D

V

I

L

M

D

E

L

T

N

N

L

L

G

T

G

S

V

I

F

F

L

R

C

L

S

S

R

K

A

A

A

V

A

L

K

R

I

G

M

M

L

M

K

K

Q

K

R

R

S

Q

G

G

R

R

I

I

N

N

I
x
V

A

G

S
|
S

V

V

G

G

E

T

M

M

G

G

N

N

P

A

G

G

Q

Q

A

A

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

V

V

I

I

G

G

L

F

T

T

K

K

T

S

V

M

A

A

K

R

E

E

L

V

A

A

S

S

R

R

G

G

I

V

T

T

V

V

N

N

A

T

V

V

A

A

P
|
P

G
|
G

F

F

I
|
I

A

E

T
|
T

D

D

M
|
M

T

T

S

K

E

A

L

L

A

N

A

D

E

E

K

Q

-

R

-

T

-

A

L

T

L

L

E

A

V

Q

I

V

P

P

L

A

G

G

R

R

Y

L

G

G

E

D

A

P

A

R

E

E

V

I

A

A

G

S

V

A

V

V

R

A

F

F

L

L

A

A

A

S

D

-

P

P

A

E

A

A

Y

Y

I

I

T

T

G

G

Q

E

V

T

I

L

N

H

I

V

D

N

G

G

L

M

V

Y

M

M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G15), S17 (= S17), R18 (= R18), I20 (= I20), T40 (≠ A40), N62 (≠ D66), V63 (= V67), N89 (= N93), A90 (= A94), I92 (= I96), V139 (≠ I143), S141 (= S145), Y154 (= Y158), K158 (= K162), P184 (= P188), G185 (= G189), I187 (= I191), T189 (= T193), M191 (= M195)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
51% identity, 98% coverage: 4:248/249 of query aligns to 4:242/243 of 4i08A

query
sites
4i08A

L

M

P

N

L

L

T

E

D

G

R

K

I

V

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

R

K

A

A

I

I

A

A

L

E

E

L

L

L

A

A

A

E

A

R

G

G

A

A

K

K

V

V

A

I

V

G

N

T

Y

A

A
x
T

S

S

S

E

A

S

G

G

A

A

A

-

D

-

E

Q

V

A

V

I

A

S

A

D

I

Y

A

L

A

G

A

D

G

N

G

G

E

K

A

G

F

M

A

A

V

L

K

-

A

-

D
x
N

V
|
V

S

T

Q

N

E

P

S

E

E

S

V

I

E

E

A

A

L

V

F

L

A

K

A

A

V

I

I

T

E

D

R

E

W

F

G

G

R

G

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

T

N

L

L

L

M

R

R

M

M

K

K

R

E

D

E

W

W

Q

S

S

D

V

I

L

M

D

E

L

T

N
|
N

L

L

G

T

G

S

V

I

F

F

L

R

C

L

S

S

R

K

A

A

A

V

A

L

K

R

I

G

M

M

L

M

K

K

Q

K

R

R

S

Q

G

G

R

R

I

I

N

N

I

V

A
x
G

S
|
S

V

V

G

G

E

T

M

M

G

G

N

N

P

A

G

G

Q
|
Q

A

A

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

V

V

I

I

G

G

L

F

T

T

K

K

T

S

V

M

A

A

K

R

E

E

L

V

A

A

S

S

R

R

G

G

I

V

T

T

V

V

N

N

A

T

V

V

A

A

P
|
P

G
|
G

F

F

I

I

A

E

T
|
T

D

D

M

M

T

N

S

D

E

E

L

Q

A

R

A

T

E

A

K

T

L

L

L

A

E

Q

V

V

I

-

P

P

L

A

G

G

R

R

Y

L

G

G

E

D

A

P

A

R

E

E

V

I

A

A

G

S

V

A

V

V

R

A

F

F

L

L

A

A

A

S

D

-

P

P

A

E

A

A

Y

Y

I

I

T

T

G

G

Q

E

V

T

I

L

N

H

I

V

D

N

G

G

L

M

V

Y

M

M

active site: G19 (= G19), N113 (= N117), S141 (= S145), Q151 (= Q155), Y154 (= Y158), K158 (= K162)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G15), S17 (= S17), R18 (= R18), I20 (= I20), T40 (≠ A40), N62 (≠ D66), V63 (= V67), N89 (= N93), A90 (= A94), G140 (≠ A144), S141 (= S145), Y154 (= Y158), K158 (= K162), P184 (= P188), G185 (= G189), T189 (= T193)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
50% identity, 98% coverage: 4:248/249 of query aligns to 1:243/244 of 6t77A

query
sites
6t77A

L

M

P

S

L

F

T

E

D

G

R

K

I

I

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I

I

G

G

R

R

A

A

I

I

A

A

L

E

E

T

L

L

A

V

A

A

A

R

G

G

A

A

K

K

V

V

A

I

V

G

N

T

Y

A

A
x
T

S

S

S

E

A

S

G

G

A

A

A

-

D

-

E

Q

V

A

V

I

A

S

A

D

I

Y

A

L

A

G

A

A

G

N

G

G

E

K

A

G

F

L

A

M

V
x
L

K

-

A

-

D
x
N

V
|
V

S

T

Q

D

E

P

S

A

E

S

V

I

E

E

A

S

L

V

F

L

A

E

A

N

V

V

I

R

E

A

R

E

W

F

G

G

R

E

L

V

D

D

V

I

L

L

V

V

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

T

N

L

L

L

M

R

R

M

M

K

K

R

D

D

D

D

E

W

W

Q

N

S

D

V

I

L

I

D

E

L

T

N

N

L

L

G

S

V

V

F

F

L

R

C

L

S

S

R

K

A

A

A

V

A

M

K

R

I

A

M

M

L

M

K

K

Q

K

R

R

S

H

G

G

R

R

I

I

N

T

I

I

A

G

S
|
S

V

V

G

G

E

T

M

M

G

G

N

N

P

A

G

G

Q

Q

A

A

N

N

Y
|
Y

S

A

A

A

K

K

A

A

G

G

V

L

I

I

G

G

L

F

T

S

K

K

T

S

V

L

A

A

K

R

E

E

L

V

A

A

S

S

R

R

G

G

I

I

T

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

F

F

I

I

A

E

T

T

D

D

M

M

T

T

S

R

E

A

L

L

A

T

A

D

E

E

K

Q

-

R

-

A

-

G

L

T

L

L

E

A

V

A

I

V

P

P

L

A

G

G

R

R

Y

L

G

G

E

T

A

P

A

N

E

E

V

I

A

A

G

S

V

A

V

V

R

A

F

F

L

L

A

A

A

S

D

D

P

E

A

-

A

A

A

S

Y

Y

I

I

T

T

G

G

Q

E

V

T

I

L

N

H

I

V

D

N

G

G

L

M

V

Y

M

M

active site: G16 (= G19), S138 (= S145), Y151 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G15), S14 (= S17), R15 (= R18), T37 (≠ A40), L58 (≠ V63), N59 (≠ D66), V60 (= V67), A87 (= A94), G88 (= G95), I89 (= I96)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
51% identity, 96% coverage: 9:248/249 of query aligns to 5:242/243 of 7emgB

query
sites
7emgB

R

K

I

I

A

V

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G

G

I

I

G

G

R

R

A

A

I

I

A

A

L

E

E

T

L

F

A

V

A

A

A

R

G

G

A

A

K

K

V

V

A

I

V

G

N

T

Y

A

A
x
T

S

S

S

E

A

S

G

G

A

A

A

-

D

-

E

E

V

A

V

I

A

S

A

G

I

Y

A

L

A

G

A

A

G

N

G

G

E

K

A

G

F

F

A

M

V

L

K

-

A

-

D
x
N

V
|
V

S

K

Q

D

E

A

S

Q

E

S

V

I

E

D

A

S

L

V

F

L

A

A

A

S

V

I

I

R

E

A

R

E

W

F

G

G

R

E

L

I

D

D

V

I

L

L

V

V

N

N

A

A

G

G

I
|
I

T

T

R

R

D

D

T

N

L

L

L

M

R

R

M

M

K

K

R

D

D

D

D

E

W

W

Q

E

S

D

V

I

L

L

D

D

L

T

N

N

L

L

G

T

G

S

V

V

F

F

L

R

C

L

S

S

R

K

A

A

A

V

A

M

K

C

I

A

M

M

L

M

K

K

Q

K

R

R

S

F

G

G

R

R

I

I

N

T

I

I

A

G

S

S

V

V

G

G

E

T

M

M

G

G

N

N

P

A

G

G

Q

Q

A

A

N

N

Y

Y

S

A

A

A

K

K

A

A

G

G

V

L

I

I

G

G

L

F

T

S

K

K

T

S

V

L

A

A

K

R

E

E

L

V

A

A

S

S

R

R

G

G

I

I

T

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

F

Y

I

I

A

E

T

T

D

D

M

M

T

T

S

R

E

A

L

L

A

T

A

D

E

D

K

Q

-

R

-

A

-

G

L

I

L

L

E

S

V

S

I

V

P

P

L

A

G

N

R

R

Y

P

G

G

E

D

A

A

A

K

E

E

V

I

A

A

G

S

V

A

V

V

R

A

F

F

L

L

A

A

A

S

D

D

P

E

A

-

A

A

A

G

Y

Y

I

I

T

T

G

G

Q

E

V

T

I

L

N

H

I

V

D

N

G

G

L

M

V

Y

M

M

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G15), S13 (= S17), R14 (= R18), T36 (≠ A40), N58 (≠ D66), V59 (= V67), I88 (= I96)

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)
50% identity, 98% coverage: 4:248/249 of query aligns to 1:243/244 of P0AEK2

query
sites
P0AEK2

L

M

P

N

L

F

T

E

D

G

R

K

I

I

A

A

L

L

V

V

T

T

G
|
G

A
|
A

S
|
S

R
|
R

G

G

I

I

G

G

R

R

A

A

I

I

A

A

L

E

E

T

L

L

A

A

A

R

G

G

A

A

K

K

V

V

A

I

V

G

N

T

Y

A

A
x
T

S

S

S

E

A

N

G

G

A

A

A

-

D

-

E

Q

V

A

V

I

A

S

A

D

I

Y

A

L

A

G

A

A

G

N

G

G

E

K

A

G

F

L

A

M

V

L

K

-

A

-

D
x
N

V
|
V

S

T

Q

D

E

P

S

A

E

S

V

I

E

E

A

S

L

V

F

L

A

E

A

K

V

I

I

R

E

A

R

E

W

F

G

G

R

E

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A

A

G

G

I

I

T

T

R

R

D

D

T

N

L

L

L

M

R

R

M

M

K

K

R

D

D

E

W

W

Q

N

S

D

V

I

L

I

D

E

L

T

N

N

L

L

G

S

V

V

F

F

L

R

C

L

S

S

R

K

A

A

A

V

A

M

K

R

I

A

M

M

L

M

K

K

Q

K

R

R

S

H

G

G

R

R

I

I

N

T

I

I

A

G

S

S

V

V

G

G

E

T

M

M

G

G

N

N

P

G

G

G

Q

Q

A

A

N

N

Y
|
Y

S
x
A

A
|
A

K
|
K

A

A

G

G

V

L

I

I

G

G

L

F

T

S

K

K

T

S

V

L

A

A

K

R

E

E

L

V

A

A

S

S

R

R

G

G

I

I

T

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

F

F

I
|
I

A

E

T

T

D

D

M

M

T

T

S

R

E

A

L

L

A

S

A

D

E

D

K

Q

-

R

-

A

-

G

L

I

L

L

E

A

V

Q

I

V

P

P

L

A

G

G

R

R

Y

L

G

G

E

G

A

A

A

Q

E

E

V

I

A

A

G

N

V

A

V

V

R

A

F

F

L

L

A

A

A

S

D

D

P

E

A

-

A

A

Y

Y

I

I

T

T

G

G

Q
x
E

V

T

I

L

N

H

I

V

D

N

G

G

L

M

V

Y

M

M

GASR 12:15 (= GASR 15:18) binding
T37 (≠ A40) binding
NV 59:60 (≠ DV 66:67) binding
N86 (= N93) binding
Y151 (= Y158) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YSAAK 158:162) binding
A154 (= A161) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K162) mutation to A: Defect in the affinity for NADPH.
I184 (= I191) binding
E233 (≠ Q238) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
51% identity, 96% coverage: 9:248/249 of query aligns to 5:242/243 of 1q7bA

query
sites
1q7bA

R

K

I

I

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I

I

G

G

R

R

A

A

I

I

A

A

L

E

E

T

L

L

A

A

A

R

G

G

A

A

K

K

V

V

A

I

V

G

N

T

Y

A

A
x
T

S

S

S

E

A

N

G

G

A

A

A

-

D

-

E

Q

V

A

V

I

A

S

A

D

I

Y

A

L

A

G

A

A

G

N

G

G

E

K

A

G

F

L

A

M

V

L

K

-

A

-

D
x
N

V
|
V

S

T

Q

D

E

P

S

A

E

S

V

I

E

E

A

S

L

V

F

L

A

E

A

K

V

I

I

R

E

A

R

E

W

F

G

G

R

E

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

T

N

L

L

L

M

R

R

M

M

K

K

R

D

D

E

D
x
E

W

W

Q

N

S

D

V

I

L

I

D

E

L

T

N

N

L

L

G

S

V

V

F

F

L

R

C

L

S

S

R

K

A

A

A

V

A

M

K

R

I

A

M

M

L

M

K

K

Q

K

R

R

S

H

G

G

R

R

I

I

N

T

I

I

A

G

S
|
S

V

V

G

G

E

T

M

M

G

G

N

N

P

G

G

G

Q
|
Q

A

A

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

V

L

I

I

G

G

L

F

T

S

K

K

T

S

V

L

A

A

K

R

E

E

L

V

A

A

S

S

R

R

G

G

I

I

T

T

V

V

N

N

A

V

V

V

A

A

P
|
P

G
|
G

F

F

I
|
I

A

E

T

T

D

D

M

M

T

T

S

R

E

A

L

L

A

S

A

D

E

D

K

Q

-

R

-

A

-

G

L

I

L

L

E

A

V

Q

I

V

P

P

L

A

G

G

R

R

Y

L

G

G

E

G

A

A

A

Q

E

E

V

I

A

A

G

N

V

A

V

V

R

A

F

F

L

L

A

A

A

S

D

D

P

E

A

-

A

A

Y

Y

I

I

T

T

G

G

Q
x
E

V
x
T

I

L

N

H

I

V

D

N

G

G

L

M

V

Y

M

M

active site: G15 (= G19), E101 (≠ D109), S137 (= S145), Q147 (= Q155), Y150 (= Y158), K154 (= K162)
binding calcium ion: E232 (≠ Q238), T233 (≠ V239)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G15), S13 (= S17), R14 (= R18), T36 (≠ A40), N58 (≠ D66), V59 (= V67), N85 (= N93), A86 (= A94), G87 (= G95), I88 (= I96), S137 (= S145), Y150 (= Y158), K154 (= K162), P180 (= P188), G181 (= G189), I183 (= I191)

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)
50% identity, 98% coverage: 4:248/249 of query aligns to 1:243/244 of P0A2C9

query
sites
P0A2C9

L

M

P

S

L

F

T

E

D

G

R

K

I

I

A

A

L

L

V

V

T

T

G

G

A

A

S

S

R

R

G

G

I

I

G

G

R

R

A

A

I

I

A

A

L

E

E

T

L

L

A

V

A

A

A

R

G

G

A

A

K

K

V

V

A

I

V

G

N

T

Y

A

A

T

S

S

S

E

A

N

G

G

A

A

A

K

D

N

E

-

V

-

V

I

A

S

A

D

I

Y

A

L

A

G

A

A

G

N

G

G

E

K

A

G

F

L

A

M

V

L

K

-

A

-

D

N

V

V

S

T

Q

D

E

P

S

A

E

S

V

I

E

E

A

S

L

V

F

L

A

E

A

N

V

I

I

R

E

A

R

E

W

F

G

G

R

E

L

V

D

D

V

I

L

L

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

T

N

L

L

L

M

R

R

M

M

K

K

R

D

D

D

D

E

W

W

Q

N

S

D

V

I

L

I

D

E

L

T

N

N

L

L

G

S

V

V

F

F

L

R

C

L

S

S

R

K

A

A

A

V

A

M

K

R

I

A

M
|
M

L

M

K

K

Q

K

R

R

S

C

G

G

R

R

I

I

N

T

I

I

A

G

S

S

V

V

G

G

E

T

M

M

G

G

N

N

P

A

G

G

Q

Q

A

A

N

N

Y

Y

S

A

A

A

K

K

A

A

G

G

V

L

I

I

G

G

L

F

T

S

K

K

T

S

V

L

A

A

K

R

E

E

L

V

A

A

S

S

R

R

G

G

I

I

T

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

F

F

I

I

A

E

T

T

D

D

M

M

T

T

S

R

E

A

L

L

A

S

A

D

E

D

K

Q

-

R

-

A

-

G

L

I

L

L

E

A

V

Q

I

V

P

P

L

A

G

G

R

R

Y

L

G

G

E

G

A

A

A

Q

E

E

V

I

A

A

G

S

V

A

V

V

R

A

F

F

L

L

A
|
A

A
x
S

D

D

P

E

A

-

A

A

A

S

Y

Y

I

I

T

T

G

G

Q

E

V

T

I

L

N

H

I

V

D

N

G

G

L

M

V

Y

M

M

M125 (= M132) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (= A227) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (≠ A228) 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.

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
51% identity, 96% coverage: 9:248/249 of query aligns to 5:242/243 of 1q7cA

query
sites
1q7cA

R

K

I

I

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I

I

G

G

R

R

A

A

I

I

A

A

L

E

E

T

L

L

A

A

A

R

G

G

A

A

K

K

V

V

A

I

V

G

N

T

Y
x
A

A
x
T

S

S

S

E

A

N

G

G

A

A

A

-

D

-

E

Q

V

A

V

I

A

S

A

D

I

Y

A

L

A

G

A

A

G

N

G

G

E

K

A

G

F

L

A

M

V
x
L

K

-

A

-

D
x
N

V
|
V

S

T

Q

D

E

P

S

A

E

S

V

I

E

E

A

S

L

V

F

L

A

E

A

K

V

I

I

R

E

A

R

E

W

F

G

G

R

E

L

V

D

D

V

I

L

L

V

V

N

N

A

A

G
|
G

I
|
I

T

T

R

R

D

D

T

N

L

L

L

M

R

R

M

M

K

K

R

D

D

E

W

W

Q

N

S

D

V

I

L

I

D

E

L

T

N

N

L

L

G

S

V

V

F

F

L

R

C

L

S

S

R

K

A

A

A

V

A

M

K

R

I

A

M

M

L

M

K

K

Q

K

R

R

S

H

G

G

R

R

I

I

N

T

I

I

A

G

S
|
S

V

V

G

G

E

T

M

M

G

G

N

N

P

G

G

G

Q
|
Q

A

A

N

N

Y
x
F

S

A

A

A

K
|
K

A

A

G

G

V

L

I

I

G

G

L

F

T

S

K

K

T

S

V

L

A

A

K

R

E

E

L

V

A

A

S

S

R

R

G

G

I

I

T

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

F

F

I

I

A

E

T

T

D

D

M

M

T

T

S

R

E

A

L

L

A

S

A

D

E

D

K

Q

-

R

-

A

-

G

L

I

L

L

E

A

V

Q

I

V

P

P

L

A

G

G

R

R

Y

L

G

G

E

G

A

A

A

Q

E

E

V

I

A

A

G

N

V

A

V

V

R

A

F

F

L

L

A

A

A

S

D

D

P

E

A

-

A

A

Y

Y

I

I

T

T

G

G

Q

E

V

T

I

L

N

H

I

V

D

N

G

G

L

M

V

Y

M

M

active site: G15 (= G19), S137 (= S145), Q147 (= Q155), F150 (≠ Y158), K154 (= K162)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G15), S13 (= S17), R14 (= R18), A35 (≠ Y39), T36 (≠ A40), L57 (≠ V63), N58 (≠ D66), V59 (= V67), G87 (= G95), I88 (= I96)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
51% identity, 100% coverage: 1:249/249 of query aligns to 5:254/254 of 4ag3A

query
sites
4ag3A

M

F

T

Q

A

S

L

M

P

S

L

L

T

Q

D

G

R

K

I

V

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

R

Q

A

A

I

I

A

A

L

L

E

E

L

L

A

G

A

R

A

L

G

G

A

A

K

-

V

V

A

V

V

I

N

G

Y

T

A

A

S
x
T

S

S

A

A

G

S

A

G

A

A

D

E

E

K

V

I

V

A

A

E

A

T

I

L

A

K

A

A

A

N

G

G

G

V

E

E

A

G

F

A

A

G

V

L

K

V

A
x
L

D
|
D

V
|
V

S

S

Q

S

E

D

S

E

E

S

V

V

E

A

A

A

L

T

F

L

A

E

A

H

V

I

I

Q

E

Q

R

H

W

L

G

G

R

Q

L

P

D

L

V

I

L

V

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

T

N

L

L

L

V

R

R

M

M

K

K

R

D

D

D

D

E

W

W

Q

F

S

D

V

V

L

V

D

N

L

T

N

N

L

L

G

N

G

S

V

L

F

Y

L

R

C

L

S

S

R

K

A

A

A

V

A

L

K

R

I

G

M

M

L

T

K

K

Q

A

R

R

S

W

G

G

R

R

I

I

N

N

I
|
I

A

G

S
|
S

V

V

G

G

E

A

M

M

G

G

N

N

P

A

G

G

Q

Q

A

T

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

V

L

I

E

G

G

L

F

T

T

K

R

T

A

V

L

A

A

K

R

E

E

L

V

A

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

A

D

T
|
T

D

D

M
|
M

T
|
T

S

R

E

E

L

L

A

P

A

E

-

A

-

Q

-

R

E

E

K

A

L

L

E

G

V

Q

I

I

P

P

L

L

G

G

R

R

Y

L

G

G

E

Q

A

A

A

E

E

E

V

I

A

A

G

K

V

V

R

G

F

F

L

L

A

A

A

S

D

D

P

-

A

G

A

A

Y

Y

I

V

T

T

G

G

Q

A

V

T

I

V

N

P

I

V

D

N

G

G

L

M

V

Y

M

M

A

S

active site: G23 (= G19), S148 (= S145), Y161 (= Y158), K165 (= K162)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G15), S21 (= S17), R22 (= R18), G23 (= G19), I24 (= I20), T44 (≠ S41), L68 (≠ A65), D69 (= D66), V70 (= V67), N96 (= N93), A97 (= A94), I146 (= I143), S148 (= S145), Y161 (= Y158), K165 (= K162), P191 (= P188), G192 (= G189), F193 (= F190), I194 (= I191), T196 (= T193), M198 (= M195), T199 (= T196)

4bo4C Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with n-(2-methoxyphenyl)-3,4- dihydro-2h-quinoline-1-carboxamide at 2.7a resolution (see paper)
51% identity, 100% coverage: 1:249/249 of query aligns to 11:255/255 of 4bo4C

query
sites
4bo4C

M

F

T

Q

A

S

L

M

P

S

L

L

T

Q

D

G

R

K

I

V

A

A

L

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

R

Q

A

A

I

I

A

A

L

L

E

E

L

L

A

G

A

R

A

L

G

G

A

A

K

-

V

V

A

V

V

I

N

G

Y

T

A

A

S

T

S

S

A

A

G

S

A

G

A

A

D

E

E

K

V

I

V

A

A

E

A

T

I

L

A

K

A

A

A

N

G

G

G

V

E

E

A

G

F

A

A

G

V

L

K

V

A

L

D

D

V

V

S

S

Q

S

E

D

S

E

E

S

V

V

E

A

A

A

L

T

F

L

A

E

A

H

V

I

I

Q

E

Q

R

H

W

L

G

G

R

Q

L

P

D

L

V

I

L

V

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

T

N

L

L

L

V

R

R

M

M

K

K

R

D

D

D

D

E

W

W

Q

F

S

D

V

V

L
x
V

D

N

L

T

N

N

L
|
L

G

N

G

S

V

L

F

Y

L

R

C

L

S

S

R

K

A

A

A

V

A

L

K

R

I

G

M

M

L

T

K

K

Q

A

R

R

S

W

G

G

R

R

I

I

N

N

I

I

A

G

S
|
S

V

V

G

G

E

-

M

-

G

G

N

N

P

A

G

G

Q

Q

A

T

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G
|
G

V

L

I

E

G
|
G

L
x
F

T

T

K

R

T

A

V

L

A

A

K

R

E

E

L

V

A

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

A

A

V

V

A

A

P

P

G

G

F

F

I

I

A

D

T

T

D

D

M

M

T

T

S

R

E

E

L

A

A

Q

A

R

E

E

K

A

L

L

E

G

V

Q

I

I

P

P

L

L

G

G

R

R

Y

L

G

G

E

Q

A

A

A

E

E

E

V

I

A

A

G

K

V

V

R

G

F

F

L

L

A

A

A

S

D

D

P

-

A

G

A

A

Y

Y

I

V

T

T

G

G

Q

A

V

T

I

V

N

P

I

V

D

N

G

G

L

M

V

Y

M

M

A

S

active site: G29 (= G19), S154 (= S145), Y165 (= Y158), K169 (= K162)
binding N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide: V123 (≠ L114), L127 (= L118), G171 (= G164), G174 (= G167), F175 (≠ L168)

6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
48% identity, 97% coverage: 9:249/249 of query aligns to 6:244/244 of 6wprA

query
sites
6wprA

R

K

I

V

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I

I

G

G

R

A

A

A

I

I

A

A

L

Q

E

Q

L

L

A

I

A

Q

A

D

G

G

A

Y

K

F

V

V

A

-

V

V

N

G

Y

T

A

A

S
x
T

S

S

A

E

G

S

A

G

A

A

D

Q

E

K

V

L

V

T

A

D

A

S

I

F

A

G

A

E

A

Q

G

G

G

A

E

-

A

-

F

-

A

G

V

L

K

A

A
x
L

D
|
D

V
|
V

S

R

Q

N

E

L

S

D

E

E

V

I

E

E

A

A

L

V

F

V

A

S

A

H

V

I

I

E

E

Q

R

N

W

Y

G

G

R

P

L

V

D

L

V

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

K

D

D

T

N

L

L

R

R

M

M

K

S

R

E

D

D

W

W

Q

D

S

D

V

I

L

L

D

N

L

I

N

H

L

L

G

K

G

A

V

V

F

Y

L

R

C

L

S

S

R

K

A

R

A

V

A

L

K

K

I

G

M

M

L

T

K

K

Q

A

R

R

S

F

G

G

R

R

I

I

N

N

I
|
I

A

S

S
|
S

V

V

G

A

E

H

M

F

G

A

N

N

P

P

G

G

Q

Q

A

A

N

N

Y
|
Y

S

S

A

A

K
|
K

A

A

G

G

V

I

I

E

G

A

L

F

T

S

K

R

T

S

V

L

A

A

K

K

E

E

L

M

A

G

S

S

R

R

G

Q

I

I

T

T

V

V

N

N

A

S

V

V

A

A

P
|
P

G

G

F

F

I

I

A

A

T

T

D

E

M

M

T

T

S

D

E

A

L

L

A

S

A

E

E

D

-

I

-

R

-

K

K

K

L

M

L

S

E

D

V

Q

I

V

P

A

L

L

G

N

R

R

Y

L

G

G

E

E

A

P

A

Q

E

D

V

I

A

A

G

N

V

A

V

V

R

S

F

F

L

L

A

A

A

S

D

D

P

K

A

-

A

A

A

G

Y

Y

I

I

T

T

G

G

Q

T

V

V

I

L

N

H

I

V

D

N

G

G

L

L

V

Y

M

M

A

A

active site: G16 (= G19), S138 (= S145), Y151 (= Y158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G15), S14 (= S17), R15 (= R18), T37 (≠ S41), L58 (≠ A65), D59 (= D66), V60 (= V67), N86 (= N93), A87 (= A94), G88 (= G95), I89 (= I96), I136 (= I143), Y151 (= Y158), K155 (= K162), P181 (= P188)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
48% identity, 97% coverage: 9:249/249 of query aligns to 6:244/244 of 6t62A

query
sites
6t62A

R

K

I

V

A

A

L

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I

I

G

G

R

A

A

A

I

I

A

A

L

Q

E

Q

L

L

A

I

A

Q

A

D

G

G

A

Y

K

F

V

V

A

-

V

V

N

G

Y

T

A
|
A

S
x
T

S

S

A

E

G

S

A

G

A

A

D

Q

E

K

V

L

V

T

A

D

A

S

I

F

A

G

A

E

A

Q

G

G

G

A

E

-

A

-

F

-

A

G

V

L

K

A

A
x
L

D
|
D

V
|
V

S

R

Q

N

E

L

S

D

E

E

V

I

E

E

A

A

L

V

F

V

A

S

A

H

V

I

I

E

E

Q

R

N

W

Y

G

G

R

P

L

V

D

L

V

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

K

D

D

T

N

L

L

R

R

M

M

K

S

R

E

D

D

W

W

Q

D

S

D

V

I

L

L

D

N

L

I

N

H

L

L

G

K

G

A

V

V

F

Y

L

R

C

L

S

S

R

K

A

R

A

V

A

L

K

K

I

G

M

M

L

T

K

K

Q

A

R

R

S

F

G

G

R

R

I

I

N

N

I
|
I

A
x
S

S
|
S

V

V

G

A

E

H

M

F

G

A

N

N

P

P

G

G

Q

Q

A

A

N

N

Y
|
Y

S

S

A

A

K
|
K

A

A

G

G

V

I

I

E

G

A

L

F

T

S

K

R

T

S

V

L

A

A

K

K

E

E

L

M

A

G

S

S

R

R

G

Q

I

I

T

T

V

V

N

N

A

S

V

V

A

A

P
|
P

G
|
G

F

F

I
|
I

A

A

T

T

D

E

M
|
M

T

T

S

D

E

A

L

L

A

S

A

E

E

D

-

I

-

R

-

K

K

K

L

M

L

S

E

D

V

Q

I

V

P

A

L

L

G

N

R

R

Y

L

G

G

E

E

A

P

A

Q

E

D

V

I

A

A

G

N

V

A

V

V

R

S

F

F

L

L

A

A

A

S

D

D

P

K

A

-

A

A

A

G

Y

Y

I

I

T

T

G

G

Q

T

V

V

I

L

N

H

I

V

D

N

G

G

L

L

V

Y

M

M

A

A

active site: G16 (= G19), S138 (= S145), Y151 (= Y158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G15), S14 (= S17), R15 (= R18), A36 (= A40), T37 (≠ S41), L58 (≠ A65), D59 (= D66), V60 (= V67), N86 (= N93), A87 (= A94), G88 (= G95), I89 (= I96), I136 (= I143), S137 (≠ A144), S138 (= S145), Y151 (= Y158), K155 (= K162), P181 (= P188), G182 (= G189), I184 (= I191), M188 (= M195)

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
47% identity, 99% coverage: 2:248/249 of query aligns to 2:247/247 of 7tzpG

query
sites
7tzpG

T

N

A

A

L

M

P

K

L

L

T

A

D

S

R

K

I

T

A

A

L

I

V

V

T

T

G
|
G

A

A

S

A

R
|
R

G
|
G

I
|
I

G

G

R

F

A

G

I

I

A

A

L

Q

E

V

L

L

A

A

A

R

A

E

G

G

A

A

K

R

V

V

A

I

V

I

N

A

Y
x
D

A
x
R

S

D

S

A

A

H

G

G

A

E

A

A

D

-

E

-

V

A

A

A

A

S

I

L

A

R

A

E

A

S

G

G

G

A

E

Q

A

A

F

L

A

F

V

I

K

S

A
x
C

D

N

V
x
I

S

A

Q

E

E

K

S

T

E

Q

V

V

E

E

A

A

L

L

F

F

A

S

A

Q

V

A

I

E

E

E

R

A

W

F

G

G

R

P

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I
|
I

T

N

R

R

D

D

T

A

L

M

L

L

L

H

R

K

M

L

K

T

R

E

D

A

D

D

W

W

Q

D

S

T

V

V

L

I

D

D

L
x
V

N

N

L

L

G

K

G

G

V

T

F

F

L

L

C

C

S

M

R

Q

A

Q

A

A

K

I

I

R

M

M

L

R

K

E

Q

R

R

G

S

A

G

G

R

R

I

I

N

N

I

I

A

A

S

S

V

-

V

A

G

S

E

W

M

L

G

G

N

N

P

V

G

G

Q

Q

A

T

N

N

Y
|
Y

S

S

A

A

A

S

K
|
K

A

A

G

G

V

V

I

V

G

G

L

M

T

T

K

K

T

T

V

A

A

C

K

R

E

E

L

L

A

A

S

K

R

K

G

G

I

V

T

T

V

V

N

N

A

A

V

I

A

C

P

P

G

G

F

F

I
|
I

A

D

T
|
T

D

D

M

M

T
|
T

-

R

-

G

-

V

S

P

E

E

L

N

A

V

A

W

E

Q

K

I

L

M

L

V

E

S

V

K

I

I

P

P

L

A

G

G

R

Y

Y

A

G

G

E

E

A

A

A

K

E

D

V

V

A

G

G

E

V

C

V

V

R

A

F

F

L

L

A

A

A

S

D

D

P

-

A

G

A

A

A

R

Y

Y

I

I

T

N

G

G

Q

E

V

V

I

I

N

N

I

V

D

G

G

G

L

M

V

V

M

L

binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G15), R18 (= R18), G19 (= G19), I20 (= I20), D39 (≠ Y39), R40 (≠ A40), C63 (≠ A65), I65 (≠ V67), N91 (= N93), G93 (= G95), I94 (= I96), V114 (≠ L116), Y155 (= Y158), K159 (= K162), I188 (= I191), T190 (= T193), T193 (= T196)

4bnzA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 1-methyl-n-phenylindole- 3-carboxamide at 2.5a resolution (see paper)
49% identity, 99% coverage: 3:249/249 of query aligns to 2:241/241 of 4bnzA

query
sites
4bnzA

A

S

L

M

P

S

L

L

T

Q

D

G

R

K

I

V

A

A

L

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

R

Q

A

A

I

I

A

A

L

L

E

E

L

L

A

G

A

R

A

L

G

G

A

A

K

-

V

V

A

V

V

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|
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active site: G18 (= G19), S135 (= S145), Y148 (= Y158), K152 (= K162)
binding 1-methyl-N-phenyl-indole-3-carboxamide: F101 (≠ Q111), V104 (≠ L114), L108 (= L118), A150 (= A160), G154 (= G164), F158 (≠ L168)

Query Sequence

>Synpcc7942_0684 Synpcc7942_0684 3-oxoacyl-[acyl-carrier-protein] reductase
MTALPLTDRIALVTGASRGIGRAIALELAAAGAKVAVNYASSAGAADEVVAAIAAAGGEA
FAVKADVSQESEVEALFAAVIERWGRLDVLVNNAGITRDTLLLRMKRDDWQSVLDLNLGG
VFLCSRAAAKIMLKQRSGRIINIASVVGEMGNPGQANYSAAKAGVIGLTKTVAKELASRG
ITVNAVAPGFIATDMTSELAAEKLLEVIPLGRYGEAAEVAGVVRFLAADPAAAYITGQVI
NIDGGLVMA

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