SitesBLAST

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)
67% identity, 98% coverage: 4:246/247 of query aligns to 2:243/244 of P0AEK2

query
sites
P0AEK2

T

N

L

F

Q

E

G

G

E

K

I

I

A

A

L

L

V

V

T

T

G
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G

A
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A

S
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S

R
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R

G

G

I

I

G

G

A

R

A

A

I

I

A

A

D

E

E

T

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L

A

A

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R

G

G

A

A

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K

V

V

I

I

G

G

T

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A

A

T
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T

S

S

E

E

S

N

G

G

A

A

A

Q

A

A

I

I

G

S

E

D

R

Y

L

L

A

G

P

A

H

N

G

G

G

-

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K

G

G

R

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M

L

L

N
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N

V
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V

T

T

E

D

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P

G

A

A

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I

E

E

A

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L

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V

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A

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E

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F

G

G

A

E

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D

I

I

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L

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V

N

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N
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N

A

A

G

G

I

I

T

T

R

R

D

D

Q

N

L

L

M

M

R

R

M

M

R

K

D

D

E

E

D

E

W

W

Q

N

A

D

I

I

L

I

D

E

T

T

N

N

L

L

T

S

S

S

V

V

Y

F

R

R

A

L

S

S

K

K

A

A

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V

M

M

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G

A

M

M

K

K

A

K

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K

H

G

G

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T

I

I

A

G

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S

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V

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V

G

G

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T

M

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G

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G

G

G

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Y
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Y

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A

K
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K

A

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G

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I

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M

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F

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L

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D

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Y

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I

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E

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L

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H

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V

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N

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G

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Y

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M

GASR 12:15 (= GASR 14:17) binding
T37 (= T39) binding
NV 59:60 (= NV 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 (= E236) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

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)
66% identity, 98% coverage: 4:246/247 of query aligns to 5:246/247 of 3op4A

query
sites
3op4A

T

N

L

L

Q

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G

G

E

K

I

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A

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G

A

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S
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S

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R

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I

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G

A

K

A

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A

A

D

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E

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T

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N

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A

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N

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N

A
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A

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I

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T

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D

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M

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E

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W

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T

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S

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K

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x
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S

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K

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P

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M

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M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G14), S17 (= S16), R18 (= R17), I20 (= I19), T40 (= T39), N62 (= N62), V63 (= V63), N89 (= N89), A90 (= A90), I92 (= I92), V139 (≠ I139), S141 (= S141), Y154 (= Y154), K158 (= K158), P184 (= P184), G185 (= G185), I187 (= I187), T189 (= T189), M191 (= M191)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
67% identity, 98% coverage: 4:246/247 of query aligns to 1:242/243 of 1q7cA

query
sites
1q7cA

T

N

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G

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K

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G

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A

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T

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L

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I

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L

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M

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S

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G

G

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x
F

A

A

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K

A

A

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G

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F

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K

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N

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G

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F

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I

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M

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N

A

A

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A

A

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F

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L

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A

A

Y

Y

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E

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N

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M

active site: G15 (= G18), S137 (= S141), Q147 (= Q151), F150 (≠ Y154), K154 (= K158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G14), S13 (= S16), R14 (= R17), A35 (= A38), T36 (= T39), L57 (= L61), N58 (= N62), V59 (= V63), G87 (= G91), I88 (= I92)

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)
66% identity, 98% coverage: 4:246/247 of query aligns to 2:243/244 of P0A2C9

query
sites
P0A2C9

T

S

L

F

Q

E

G

G

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K

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I

A

A

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L

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V

T

T

G

G

A

A

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A

A

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A

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E

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G

A

A

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V

I

I

G

G

T

T

A

A

T

T

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E

E

S

N

G

G

A

A

A

K

A

N

I

I

G

S

E

D

R

Y

L

L

A

G

P

A

H

N

G

G

G

-

Q

K

G

G

R

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L

L

N

N

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P

G

A

A

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E

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N

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A

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F

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G

A

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D

I

I

L

L

V

V

N

N

A

A

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G

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I

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T

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R

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D

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N

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L

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M

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M

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D

D

E

D

D

E

W

W

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N

A

D

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I

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T

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T

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S

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V

Y

F

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S

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K

A

A

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V

M

M

R

R

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A

M
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M

M

M

K

K

A

K

R

R

K

C

G

G

R

R

I

I

V

I

S

T

I

I

A

G

S

S

V

V

I

V

G

G

L

T

T

M

G

G

N

N

P

A

G

G

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Q

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A

N

N

Y

Y

A

A

K

K

A

A

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G

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F

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K

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R

R

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G

I

I

T

T

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V

N

N

V

V

A

A

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P

G

G

F

F

I

I

D

E

T

T

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D

M

M

T

T

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A

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K

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A

A

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A

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A

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I

I

A

A

K

S

A

A

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A

F

F

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L

A
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A

S
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S

P

D

A

E

A

A

A

S

Y

Y

I

I

T

T

G

G

E

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

Y

Y

M

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.

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
65% identity, 98% coverage: 4:246/247 of query aligns to 2:243/244 of 6t77A

query
sites
6t77A

T

S

L

F

Q

E

G

G

E

K

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

I

G

G

A

R

A

A

I

I

A

A

D

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E

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L

L

A

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A

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R

G

G

A

A

T

K

V

V

I

I

G

G

T

T

A

A

T
|
T

S

S

E

E

S

S

G

G

A

A

A

Q

A

A

I

I

G

S

E

D

R

Y

L

L

A

G

P

A

H

N

G

G

G

-

Q

K

G

G

R

L

V

M

L
|
L

N
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N

V
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V

T

T

E

D

P

P

G

A

A

S

I

I

E

E

A

S

L

V

V

L

D

E

A

N

I

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K

A

D

E

V

F

G

G

A

E

L

V

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D

I

I

L

L

V

V

N

N

A
|
A

G
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G

I
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I

T

T

R

R

D

D

Q

N

L

L

M

M

R

R

M

M

R

K

D

D

E

D

D

E

W

W

Q

N

A

D

I

I

L

I

D

E

T

T

N

N

L

L

T

S

S

S

V

V

Y

F

R

R

A

L

S

S

K

K

A

A

V

V

M

M

R

R

G

A

M

M

K

K

A

K

R

R

K

H

G

G

R

R

I

I

V

I

S

T

I

I

A

G

S
|
S

V

V

I

V

G

G

L

T

T

M

G

G

N

N

P

A

G

G

Q

Q

S

A

N

N

Y
|
Y

A

A

K

K

A

A

G

G

I

L

I

I

A

G

F

F

S

S

K

K

S

S

L

L

A

A

R

R

E

E

I

V

G

A

S

S

R

R

G

G

I

I

T

T

V

V

N

N

V

V

A

A

P

P

G

G

F

F

I

I

D

E

T

T

D

D

M

M

T

T

R

R

A

A

L

L

P

T

E

D

E

E

S

Q

K

R

Q

A

A

G

L

T

L

L

G

A

Q

A

I

V

A

P

L

A

G

G

R

R

L

L

G

G

E

T

A

P

Q

N

D

E

I

I

A

A

K

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

P

D

A

E

A

A

A

S

Y

Y

I

I

T

T

G

G

E

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G16 (= G18), S138 (= S141), Y151 (= Y154)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G14), S14 (= S16), R15 (= R17), T37 (= T39), L58 (= L61), N59 (= N62), 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)
65% identity, 98% coverage: 4:246/247 of query aligns to 5:242/243 of 4i08A

query
sites
4i08A

T

N

L

L

Q

E

G

G

E

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

A

K

A

A

I

I

A

A

D

E

E

L

L

L

A

A

A

E

Q

R

G

G

A

A

T

K

V

V

I

I

G

G

T

T

A

A

T
|
T

S

S

E

E

S

S

G

G

A

A

A

Q

A

A

I

I

G

S

E

D

R

Y

L

L

A

G

P

D

H

N

G

G

G

-

Q

K

G

G

R

M

V

A

L

L

N
|
N

V
|
V

T

T

E

N

P

P

G

E

A

S

I

I

E

E

A

A

L

V

V

L

D

K

A

A

I

I

G

T

K

D

D

E

V

F

G

G

A

G

L

V

S

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

Q

N

L

L

M

M

R

R

M

M

R

K

D

E

E

E

D

E

W

W

Q

S

A

D

I

I

L

M

D

E

T

T

N
|
N

L

L

T

T

S

S

V

I

Y

F

R

R

A

L

S

S

K

K

A

A

V

V

M

L

R

R

G

G

M

M

K

K

A

K

R

R

K

Q

G

G

R

R

I

I

V

I

S

N

I

V

A
x
G

S
|
S

V

V

I

V

G

G

L

T

T

M

G

G

N

N

P

A

G

G

Q
|
Q

S

A

N

N

Y
|
Y

A

A

K
|
K

A

A

G

G

I

V

I

I

A

G

F

F

S

T

K

K

S

S

L

M

A

A

R

R

E

E

I

V

G

A

S

S

R

R

G

G

I

V

T

T

V

V

N

N

V

T

V

V

A

A

P
|
P

G
|
G

F

F

I

I

D

E

T
|
T

D

D

M

M

T

N

R

-

A

-

L

-

P

-

E

D

E

E

S

Q

K

R

Q

T

A

A

L

T

L

L

G

A

Q

Q

I

V

A

P

L

A

G

G

R

R

L

L

G

G

E

D

A

P

Q

R

D

E

I

I

A

A

K

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

P

P

A

E

A

A

Y

Y

I

I

T

T

G

G

E

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G19 (= G18), N113 (= N113), S141 (= S141), Q151 (= Q151), Y154 (= Y154), K158 (= K158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G14), S17 (= S16), R18 (= R17), I20 (= I19), T40 (= T39), N62 (= N62), V63 (= V63), N89 (= N89), A90 (= A90), G140 (≠ A140), 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)
63% identity, 98% coverage: 4:246/247 of query aligns to 1:242/243 of 7emgB

query
sites
7emgB

T

S

L

F

Q

E

G

G

E

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

A

R

A

A

I

I

A

A

D

E

E

T

L

F

A

V

A

A

Q

R

G

G

A

A

T

K

V

V

I

I

G

G

T

T

A

A

T
|
T

S

S

E

E

S

S

G

G

A

A

A

E

A

A

I

I

G

S

E

G

R

Y

L

L

A

G

P

A

H

N

G

G

G

-

Q

K

G

G

R

F

V

M

L

L

N
|
N

V
|
V

T

K

E

D

P

A

G

Q

A

S

I

I

E

D

A

S

L

V

V

L

D

A

A

S

I

I

G

R

K

A

D

E

V

F

G

G

A

E

L

I

S

D

I

I

L

L

V

V

N

N

A

A

G

G

I
|
I

T

T

R

R

D

D

Q

N

L

L

M

M

R

R

M

M

R

K

D

D

E

D

D

E

W

W

Q

E

A

D

I

I

L

L

D

D

T

T

N

N

L

L

T

T

S

S

V

V

Y

F

R

R

A

L

S

S

K

K

A

A

V

V

M

M

R

C

G

A

M

M

K

K

A

K

R

R

K

F

G

G

R

R

I

I

V

I

S

T

I

I

A

G

S

S

V

V

I

V

G

G

L

T

T

M

G

G

N

N

P

A

G

G

Q

Q

S

A

N

N

Y

Y

A

A

K

K

A

A

G

G

I

L

I

I

A

G

F

F

S

S

K

K

S

S

L

L

A

A

R

R

E

E

I

V

G

A

S

S

R

R

G

G

I

I

T

T

V

V

N

N

V

V

A

A

P

P

G

G

F

Y

I

I

D

E

T

T

D

D

M

M

T

T

R

R

A

A

L

L

P

T

E

D

S

Q

K

R

Q

A

A

G

L

I

L

L

G

S

Q

S

I

V

A

P

L

A

G

N

R

R

L

P

G

G

E

D

A

A

Q

K

D

E

I

I

A

A

K

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

P

D

A

E

A

A

A

G

Y

Y

I

I

T

T

G

G

E

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

Y

Y

M

M

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G14), S13 (= S16), R14 (= R17), T36 (= T39), N58 (= N62), V59 (= V63), I88 (= I92)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
63% identity, 99% coverage: 2:246/247 of query aligns to 7:253/254 of 4ag3A

query
sites
4ag3A

S

S

K

M

T

S

L

L

Q

Q

G

G

E

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

A

Q

A

A

I

I

A

A

D

L

E

E

L

L

A

G

A

R

Q

L

G

G

A

A

T

V

V

V

I

I

G

G

T

T

A

A

T
|
T

S

S

E

A

S

S

G

G

A

A

A

E

A

K

I

I

G

A

E

E

R

T

L

L

A

K

P

A

H

N

G

G

-

V

-

E

G

G

Q

A

G

G

R

L

V

V

L
|
L

N
x
D

V
|
V

T

S

E

S

P

D

G

E

A

S

I

V

E

A

A

A

L

T

V

L

D

E

A

H

I

I

G

Q

K

Q

D

H

V

L

G

G

A

Q

L

P

S

L

I

I

L

V

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

Q

N

L

L

M

V

R

R

M

M

R

K

D

D

E

D

D

E

W

W

Q

F

A

D

I

V

L

V

D

N

T

T

N

N

L

L

T

N

S

S

V

L

Y

Y

R

R

A

L

S

S

K

K

A

A

V

V

M

L

R

R

G

G

M

M

M

T

K

K

A

A

R

R

K

W

G

G

R

R

I

I

V

I

S

N

I
|
I

A

G

S
|
S

V

V

I

V

G

G

L

A

T

M

G

G

N

N

P

A

G

G

Q

Q

S

T

N

N

Y
|
Y

A

A

K
|
K

A

A

G

G

I

L

I

E

A

G

F

F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

V

A

V

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

D

D

T
|
T

D

D

M
|
M

T
|
T

R

R

A

E

L

L

P

P

E

E

E

A

S

Q

K

R

Q

E

A

A

L

L

G

G

Q

Q

I

I

A

P

L

L

G

G

R

R

L

L

G

G

E

Q

A

A

Q

E

D

E

I

I

A

A

K

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G23 (= G18), S148 (= S141), Y161 (= Y154), K165 (= K158)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G14), S21 (= S16), R22 (= R17), G23 (= G18), I24 (= I19), T44 (= T39), L68 (= L61), D69 (≠ N62), V70 (= V63), N96 (= N89), A97 (= A90), I146 (= I139), S148 (= S141), Y161 (= Y154), K165 (= K158), P191 (= P184), G192 (= G185), F193 (= F186), I194 (= I187), T196 (= T189), M198 (= M191), T199 (= T192)

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)
62% identity, 99% coverage: 2:246/247 of query aligns to 13:254/255 of 4bo4C

query
sites
4bo4C

S

S

K

M

T

S

L

L

Q

Q

G

G

E

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

A

Q

A

A

I

I

A

A

D

L

E

E

L

L

A

G

A

R

Q

L

G

G

A

A

T

V

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

A

S

S

G

G

A

A

A

E

A

K

I

I

G

A

E

E

R

T

L

L

A

K

P

A

H

N

G

G

-

V

-

E

G

G

Q

A

G

G

R

L

V

V

L

L

N

D

V

V

T

S

E

S

P

D

G

E

A

S

I

V

E

A

A

A

L

T

V

L

D

E

A

H

I

I

G

Q

K

Q

D

H

V

L

G

G

A

Q

L

P

S

L

I

I

L

V

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

Q

N

L

L

M

V

R

R

M

M

R

K

D

D

E

D

D

E

W

W

Q

F

A

D

I

V

L
x
V

D

N

T

T

N

N

L
|
L

T

N

S

S

V

L

Y

Y

R

R

A

L

S

S

K

K

A

A

V

V

M

L

R

R

G

G

M

M

M

T

K

K

A

A

R

R

K

W

G

G

R

R

I

I

V

I

S

N

I

I

A

G

S
|
S

V

V

I

V

G

G

L

-

T

-

G

G

N

N

P

A

G

G

Q

Q

S

T

N

N

Y
|
Y

A

A

K
|
K

A

A

G
|
G

I

L

I

E

A
x
G

F
|
F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

V

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

-

L

-

P

-

E

E

E

A

S

Q

K

R

Q

E

A

A

L

L

G

G

Q

Q

I

I

A

P

L

L

G

G

R

R

L

L

G

G

E

Q

A

A

Q

E

D

E

I

I

A

A

K

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G29 (= G18), S154 (= S141), Y165 (= Y154), K169 (= K158)
binding N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide: V123 (≠ L110), L127 (= L114), G171 (= G160), G174 (≠ A163), F175 (= F164)

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)
60% identity, 99% coverage: 2:246/247 of query aligns to 2:240/241 of 4bnzA

query
sites
4bnzA

S

S

K

M

T

S

L

L

Q

Q

G

G

E

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

A

Q

A

A

I

I

A

A

D

L

E

E

L

L

A

G

A

R

Q

L

G

G

A

A

T

V

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

A

S

S

G

G

A

A

A

E

A

K

I

I

G

A

E

E

R

T

L

L

A

K

P

A

H

N

G

G

-

V

-

E

G

G

Q

A

G

G

R

L

V

V

L

L

N

D

V

V

T

S

E

S

P

D

G

E

A

S

I

V

E

A

A

A

L

T

V

L

D

E

A

H

I

I

G

Q

K

Q

D

H

V

L

G

G

A

Q

L

P

S

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

Q

-

L

-

M

-

R

R

M

M

R

K

D

D

E

D

D

E

W

W

Q
x
F

A

D

I

V

L
x
V

D

N

T

T

N

N

L
|
L

T

N

S

S

V

L

Y

Y

R

R

A

L

S

S

K

K

A

A

V

V

M

L

R

R

G

G

M

M

M

T

K

K

A

A

R

R

K

W

G

G

R

R

I

I

V

I

S

N

I

I

A

G

S
|
S

V

V

I

V

G

G

L

A

T

M

G

G

N

N

P

A

G

G

Q

Q

S

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

I

L

I

E

A

G

F
|
F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

V

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

E

A

S

Q

K

R

Q

E

A

A

L

L

G

G

Q

Q

I

I

A

P

L

L

G

G

R

R

L

L

G

G

E

Q

A

A

Q

E

D

E

I

I

A

A

K

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G18 (= G18), S135 (= S141), Y148 (= Y154), K152 (= K158)
binding 1-methyl-N-phenyl-indole-3-carboxamide: F101 (≠ Q107), V104 (≠ L110), L108 (= L114), A150 (= A156), G154 (= G160), F158 (= F164)

4bnyA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 4-(2-phenylthieno(3,2-d) pyrimidin-4-yl)morpholine at 1.8a resolution (see paper)
60% identity, 99% coverage: 2:246/247 of query aligns to 1:238/239 of 4bnyA

query
sites
4bnyA

S

S

K

M

T

S

L

L

Q

Q

G

G

E

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

A

Q

A

A

I

I

A

A

D

L

E

E

L

L

A

G

A

R

Q

L

G

G

A

A

T

V

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

A

S

S

G

G

A

A

A

E

A

K

I

I

G

A

E

E

R

T

L

L

A

K

P

A

H

N

G

G

-

V

-

E

G

G

Q

A

G

G

R

L

V

V

L

L

N

D

V

V

T

S

E

S

P

D

G

E

A

S

I

V

E

A

A

A

L

T

V

L

D

E

A

H

I

I

G

Q

K

Q

D

H

V

L

G

G

A

Q

L

P

S

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

Q

-

L

-

M

-

R

R

M

M

R

K

D

D

E

D

D

E

W
|
W

Q

F

A

D

I

V

L

V

D

N

T

T

N

N

L
|
L

T

N

S

S

V

L

Y

Y

R

R

A

L

S

S

K

K

A

A

V

V

M

L

R

R

G

G

M

M

M

T

K

K

A

A

R

R

K

W

G

G

R

R

I

I

V

I

S

N

I

I

A

G

S
|
S

V

V

I

V

G

G

L

A

T

M

G

G

N

N

P

A

G

G

Q

Q

S

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G

G

I

L

I

E

A
x
G

F
|
F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

V

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

E

A

S

Q

K

R

Q

E

A

A

L

L

G

G

Q

Q

I

I

A

P

L

L

G

G

R

R

L

L

G

G

E

Q

A

A

Q

E

D

E

I

I

A

A

K

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G17 (= G18), S133 (= S141), Y146 (= Y154), K150 (= K158)
binding 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine: W98 (= W106), L106 (= L114), A148 (= A156), G155 (≠ A163), F156 (= F164)

4bnxA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 6-(4-(2-chloroanilino)- 1h-quinazolin-2-ylidene)cyclohexa-2, 4-dien-1-one at 2.3a resolution (see paper)
60% identity, 99% coverage: 2:246/247 of query aligns to 2:239/239 of 4bnxA

query
sites
4bnxA

S

S

K

M

T

S

L

L

Q

Q

G

G

E

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

A

Q

A

A

I

I

A

A

D

L

E

E

L

L

A

G

A

R

Q

L

G

G

A

A

T

V

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

A

S

S

G

G

A

A

A

E

A

K

I

I

G

A

E

E

R

T

L

L

A

K

P

A

H

N

G

G

-

V

-

E

G

G

Q

A

G

G

R

L

V

V

L

L

N

D

V

V

T

S

E

S

P

D

G

E

A

S

I

V

E

A

A

A

L

T

V

L

D

E

A

H

I

I

G

Q

K

Q

D

H

V

L

G

G

A

Q

L

P

S

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

Q

-

L

-

M

-

R

R

M

M

R

K

D

D

E

D

D

E

W

W

Q

F

A

D

I

V

L
x
V

D
x
N

T

T

N

N

L
|
L

T

N

S

S

V

L

Y

Y

R

R

A

L

S

S

K

K

A

A

V

V

M

L

R

R

G

G

M

M

M

T

K

K

A

A

R

R

K

W

G

G

R

R

I

I

V

I

S

N

I

I

A

G

S
|
S

V

V

I

V

G

G

L

A

T

M

G

G

N

N

P

A

G

G

Q

Q

S

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

I

L

I

E

A
x
G

F
|
F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

V

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

E

A

S

Q

K

R

Q

E

A

A

L

L

G

G

Q

Q

I

I

A

P

L

L

G

G

R

R

L

L

G

G

E

Q

A

A

Q

E

D

E

I

I

A

A

K

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G18 (= G18), S134 (= S141), Y147 (= Y154), K151 (= K158)
binding 6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one: V103 (≠ L110), N104 (≠ D111), L107 (= L114), A149 (= A156), G153 (= G160), G156 (≠ A163), F157 (= F164)

4bnuA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 2-phenyl-4-(1,2,4- triazol-4-yl)quinazoline at 2.0a resolution (see paper)
60% identity, 99% coverage: 2:246/247 of query aligns to 2:238/239 of 4bnuA

query
sites
4bnuA

S

S

K

M

T

S

L

L

Q

Q

G

G

E

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

A

Q

A

A

I

I

A

A

D

L

E

E

L

L

A

G

A

R

Q

L

G

G

A

A

T

V

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

A

S

S

G

G

A

A

A

E

A

K

I

I

G

A

E

E

R

T

L

L

A

K

P

A

H

N

G

G

-

V

-

E

G

G

Q

A

G

G

R

L

V

V

L

L

N

D

V

V

T

S

E

S

P

D

G

E

A

S

I

V

E

A

A

A

L

T

V

L

D

E

A

H

I

I

G

Q

K

Q

D

H

V

L

G

G

A

Q

L

P

S

L

I

I

L

V

V

V

N

N

A

-

G

-

I

-

T

-

R

-

D

-

Q

-

L

-

M

-

R

R

M

M

R

K

D

D

E

D

D

E

W
|
W

Q

F

A

D

I

V

L
x
V

D

N

T

T

N

N

L
|
L

T

N

S

S

V

L

Y

Y

R

R

A

L

S

S

K

K

A

A

V

V

M

L

R

R

G

G

M

M

M

T

K

K

A

A

R

R

K

W

G

G

R

R

I

I

V

I

S

N

I

I

A

G

S
|
S

V

V

I

V

G

G

L

A

T

M

G

G

N

N

P

A

G

G

Q

Q

S

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

I

L

I

E

A
x
G

F

F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

V

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

E

A

S

Q

K

R

Q

E

A

A

L

L

G

G

Q

Q

I

I

A

P

L

L

G

G

R

R

L

L

G

G

E

Q

A

A

Q

E

D

E

I

I

A

A

K

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G18 (= G18), S133 (= S141), Y146 (= Y154), K150 (= K158)
binding 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline: W98 (= W106), V102 (≠ L110), L106 (= L114), A148 (= A156), G152 (= G160), G155 (≠ A163)

3tzcA Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg)(y155f) from vibrio cholerae (see paper)
60% identity, 98% coverage: 5:245/247 of query aligns to 6:224/224 of 3tzcA

query
sites
3tzcA

L

L

Q

E

G

G

E

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

A

K

A

A

I

I

A

A

D

E

E

L

L

L

A

A

A

E

Q

R

G

G

A

A

T

K

V

V

I

I

G

G

T

T

A
|
A

T
|
T

S

S

E

E

S

S

G

G

A

A

A

Q

A

A

I

I

G

S

E

D

R

Y

L

L

A

G

P

D

H

N

G

G

G

-

Q

K

G

G

R

M

V

A

L

L

N
|
N

V
|
V

T

T

E

N

P

P

G

E

A

S

I

I

E

E

A

A

L

V

V

L

D

K

A

A

I

I

G

T

K

D

D

E

V

F

G

G

A

G

L

V

S

D

I

I

L

L

V

V

N

N

A

A

G
|
G

I
|
I

T

T

R

R

D

-

Q

-

L

-

M

M

R

R

M

M

R

K

D

E

E

E

D

E

W

W

Q

S

A

D

I

I

L

M

D

E

T
|
T

N

N

L

L

T

T

S

S

V

I

Y

F

R

R

A

L

S

S

K

K

A

A

V

V

M

L

R

R

G

G

M

M

K

K

A

K

R

R

K

Q

G

G

R

R

I

I

V

I

S

N

I

V

A

G

S

S

V

V

I

V

G

-

L

-

T

-

G

-

N

-

P

-

G

-

Q

-

S

-

N

-

Y

-

A

-

A

A

K

K

A

A

G

G

I

V

I

I

A

G

F

F

S

T

K

K

S

S

L

M

A

A

R

R

E

E

I

V

G

A

S

S

R

R

G

G

I

V

T

T

V

V

N

N

V

T

V

V

A

A

P

P

G

G

F

F

I

I

D

E

T

T

D

D

M

M

T

-

R

-

A

-

L

-

P

-

E

D

E

E

S

Q

K

R

Q

T

A

A

L

T

L

L

G

A

Q

Q

I

V

A

P

L

A

G

G

R

R

L

L

G

G

E

D

A

P

Q

R

D

E

I

I

A

A

K

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

P

P

A

E

A

A

Y

Y

I

I

T

T

G

G

E

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

Y

Y

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G14), S17 (= S16), R18 (= R17), A39 (= A38), T40 (= T39), N62 (= N62), V63 (= V63), G91 (= G91), I92 (= I92), T108 (= T112)

6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
58% identity, 98% coverage: 4:246/247 of query aligns to 2:243/244 of 6wprA

query
sites
6wprA

T

T

L

Q

Q

E

G

R

E

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

A

A

I

I

A

A

D

Q

E

Q

L

L

A

I

A

Q

Q

D

G

G

A

Y

T

F

V

V

I

V

G

G

T

T

A

A

T
|
T

S

S

E

E

S

S

G

G

A

A

A

Q

A

K

I

L

G

T

E

D

R

S

L

F

A

G

P

E

H

Q

G

G

G

A

Q

-

G

G

R

L

V

A

L
|
L

N
x
D

V
|
V

T

R

E

N

P

L

G

D

A

E

I

I

E

E

A

A

L

V

V

V

D

S

A

H

I

I

G

E

K

Q

D

N

V

Y

G

G

A

P

L

V

S

L

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

K

D

D

Q

N

L

L

M

L

R

R

M

M

R

S

D

E

E

D

D

D

W

W

Q

D

A

D

I

I

L

L

D

N

T

I

N

H

L

L

T

K

S

A

V

V

Y

Y

R

R

A

L

S

S

K

K

A

R

V

V

M

L

R

K

G

G

M

M

M

T

K

K

A

A

R

R

K

F

G

G

R

R

I

I

V

I

S

N

I
|
I

A

S

S
|
S

V

V

I

V

G

A

L

H

T

F

G

A

N

N

P

P

G

G

Q

Q

S

A

N

N

Y
|
Y

A

S

A

A

K
|
K

A

A

G

G

I

I

I

E

A

A

F

F

S

S

K

R

S

S

L

L

A

A

R

K

E

E

I

M

G

G

S

S

R

R

G

Q

I

I

T

T

V

V

N

N

V

S

V

V

A

A

P
|
P

G

G

F

F

I

I

D

A

T

T

D

E

M

M

T

T

R

D

A

A

L

L

P

S

E

E

E

D

S

I

K

R

Q

K

A

K

L

M

L

S

G

D

Q

Q

I

V

A

A

L

L

G

N

R

R

L

L

G

G

E

E

A

P

Q

Q

D

D

I

I

A

A

K

N

A

A

V

V

A

S

F

F

L

L

A

A

S

S

P

D

A

K

A

A

A

G

Y

Y

I

I

T

T

G

G

E

T

T

V

L

L

H

H

V

V

N

N

G

G

M

L

Y

Y

M

M

active site: G16 (= G18), S138 (= S141), Y151 (= Y154)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G14), S14 (= S16), R15 (= R17), T37 (= T39), L58 (= L61), D59 (≠ N62), V60 (= V63), N86 (= N89), A87 (= A90), G88 (= G91), I89 (= I92), I136 (= I139), Y151 (= Y154), K155 (= K158), P181 (= P184)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
59% identity, 97% coverage: 8:246/247 of query aligns to 6:243/244 of 6t62A

query
sites
6t62A

E

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

A

A

I

I

A

A

D

Q

E

Q

L

L

A

I

A

Q

Q

D

G

G

A

Y

T

F

V

V

I

V

G

G

T

T

A
|
A

T
|
T

S

S

E

E

S

S

G

G

A

A

A

Q

A

K

I

L

G

T

E

D

R

S

L

F

A

G

P

E

H

Q

G

G

G

A

Q

-

G

G

R

L

V

A

L
|
L

N
x
D

V
|
V

T

R

E

N

P

L

G

D

A

E

I

I

E

E

A

A

L

V

V

V

D

S

A

H

I

I

G

E

K

Q

D

N

V

Y

G

G

A

P

L

V

S

L

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

K

D

D

Q

N

L

L

M

L

R

R

M

M

R

S

D

E

E

D

D

D

W

W

Q

D

A

D

I

I

L

L

D

N

T

I

N

H

L

L

T

K

S

A

V

V

Y

Y

R

R

A

L

S

S

K

K

A

R

V

V

M

L

R

K

G

G

M

M

M

T

K

K

A

A

R

R

K

F

G

G

R

R

I

I

V

I

S

N

I
|
I

A
x
S

S
|
S

V

V

I

V

G

A

L

H

T

F

G

A

N

N

P

P

G

G

Q

Q

S

A

N

N

Y
|
Y

A

S

A

A

K
|
K

A

A

G

G

I

I

I

E

A

A

F

F

S

S

K

R

S

S

L

L

A

A

R

K

E

E

I

M

G

G

S

S

R

R

G

Q

I

I

T

T

V

V

N

N

V

S

V

V

A

A

P
|
P

G
|
G

F

F

I
|
I

D

A

T

T

D

E

M
|
M

T

T

R

D

A

A

L

L

P

S

E

E

E

D

S

I

K

R

Q

K

A

K

L

M

L

S

G

D

Q

Q

I

V

A

A

L

L

G

N

R

R

L

L

G

G

E

E

A

P

Q

Q

D

D

I

I

A

A

K

N

A

A

V

V

A

S

F

F

L

L

A

A

S

S

P

D

A

K

A

A

A

G

Y

Y

I

I

T

T

G

G

E

T

T

V

L

L

H

H

V

V

N

N

G

G

M

L

Y

Y

M

M

active site: G16 (= G18), S138 (= S141), Y151 (= Y154)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G14), S14 (= S16), R15 (= R17), A36 (= A38), T37 (= T39), L58 (= L61), D59 (≠ N62), V60 (= V63), N86 (= N89), A87 (= A90), G88 (= G91), I89 (= I92), I136 (= I139), S137 (≠ A140), S138 (= S141), Y151 (= Y154), K155 (= K158), P181 (= P184), G182 (= G185), I184 (= I187), M188 (= M191)

4bo7A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with n-(2,3-dihydro-1h-inden- 5-yl)tetrazolo(1,5-b)pyridazin-6-amine at 2.6a resolution (see paper)
59% identity, 99% coverage: 2:246/247 of query aligns to 2:237/238 of 4bo7A

query
sites
4bo7A

S

S

K

M

T

S

L

L

Q

Q

G

G

E

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

A

Q

A

A

I

I

A

A

D

L

E

E

L

L

A

G

A

R

Q

L

G

G

A

A

T

V

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

A

S

S

G

G

A

A

A

E

A

K

I

I

G

A

E

E

R

T

L

L

A

K

P

A

H

N

G

G

-

V

-

E

G

G

Q

A

G

G

R

L

V

V

L

L

N

D

V

V

T

S

E

S

P

D

G

E

A

S

I

V

E

A

A

A

L

T

V

L

D

E

A

H

I

I

G

Q

K

Q

D

H

V

L

G

G

A

Q

L

P

S

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

Q

-

L

-

M

-

R

-

M

-

R

K

D

D

E

D

D

E

W

W

Q
x
F

A

D

I

V

L
x
V

D

N

T

T

N

N

L
|
L

T

N

S

S

V

L

Y

Y

R

R

A

L

S

S

K

K

A

A

V

V

M

L

R

R

G

G

M

M

M

T

K

K

A

A

R

R

K

W

G

G

R

R

I

I

V

I

S

N

I

I

A

G

S
|
S

V

V

I

V

G

G

L

A

T

M

G

G

N

N

P

A

G

G

Q

Q

S

T

N

N

Y
|
Y

A

A

K
|
K

A

A

G

G

I

L

I

E

A

G

F
|
F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

V

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

E

A

S

Q

K

R

Q

E

A

A

L

L

G

G

Q

Q

I

I

A

P

L

L

G

G

R

R

L

L

G

G

E

Q

A

A

Q

E

D

E

I

I

A

A

K

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G18 (= G18), S132 (= S141), Y145 (= Y154), K149 (= K158)
binding N-(2,3-dihydro-1H-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine: F98 (≠ Q107), V101 (≠ L110), L105 (= L114), F155 (= F164)

4bo0A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 1-(4-methoxy-1- methylindazol-3-yl)-3-(2-methoxyphenyl)urea at 2.4a resolution (see paper)
59% identity, 99% coverage: 2:246/247 of query aligns to 1:234/235 of 4bo0A

query
sites
4bo0A

S

S

K

M

T

S

L

L

Q

Q

G

G

E

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

A

Q

A

A

I

I

A

A

D

L

E

E

L

L

A

G

A

R

Q

L

G

G

A

A

T

V

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

A

S

S

G

G

A

A

A

E

A

K

I

I

G

A

E

E

R

T

L

L

A

K

P

A

H

N

G

G

-

V

-

E

G

G

Q

A

G

G

R

L

V

V

L

L

N

D

V

V

T

S

E

S

P

D

G

E

A

S

I

V

E

A

A

A

L

T

V

L

D

E

A

H

I

I

G

Q

K

Q

D

H

V

L

G

G

A

Q

L

P

S

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

Q

-

L

-

M

-

R

-

M

-

R

-

D

-

E

-

D

E

W
|
W

Q

F

A

D

I

V

L
x
V

D

N

T

T

N

N

L
|
L

T

N

S

S

V

L

Y

Y

R

R

A

L

S

S

K

K

A

A

V

V

M

L

R

R

G

G

M

M

M

T

K

K

A

A

R

R

K

W

G

G

R

R

I

I

V

I

S

N

I

I

A

G

S
|
S

V

V

I

V

G

G

L

A

T

M

G

G

N

N

P

A

G

G

Q

Q

S

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

I

L

I

E

A

G

F

F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

V

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

E

A

S

Q

K

R

Q

E

A

A

L

L

G

G

Q

Q

I

I

A

P

L

L

G

G

R

R

L

L

G

G

E

Q

A

A

Q

E

D

E

I

I

A

A

K

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G17 (= G18), S129 (= S141), Y142 (= Y154), K146 (= K158)
binding 1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea: W94 (= W106), V98 (≠ L110), L102 (= L114), A144 (= A156), G148 (= G160)

4bo8A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 1-(2-amino-4- phenylimidazol-1-yl)-3-(2-fluorophenyl)urea at 2.7a resolution (see paper)
59% identity, 99% coverage: 2:246/247 of query aligns to 2:235/236 of 4bo8A

query
sites
4bo8A

S

S

K

M

T

S

L

L

Q

Q

G

G

E

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

A

Q

A

A

I

I

A

A

D

L

E

E

L

L

A

G

A

R

Q

L

G

G

A

A

T

V

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

A

S

S

G

G

A

A

A

E

A

K

I

I

G

A

E

E

R

T

L

L

A

K

P

A

H

N

G

G

-

V

-

E

G

G

Q

A

G

G

R

L

V

V

L

L

N

D

V

V

T

S

E

S

P

D

G

E

A

S

I

V

E

A

A

A

L

T

V

L

D

E

A

H

I

I

G

Q

K

Q

D

H

V

L

G

G

A

Q

L

P

S

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

Q

-

L

-

M

-

R

-

M

-

R

-

D

-

E

-

D

E

W
|
W

Q

F

A

D

I

V

L
x
V

D
x
N

T

T

N

N

L
|
L

T

N

S

S

V

L

Y

Y

R

R

A

L

S

S

K

K

A

A

V

V

M

L

R

R

G

G

M

M

M

T

K

K

A

A

R

R

K

W

G

G

R

R

I

I

V

I

S

N

I

I

A

G

S
|
S

V

V

I

V

G

G

L

A

T

M

G

G

N

N

P

A

G

G

Q

Q

S

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G

G

I

L

I

E

A
x
G

F
|
F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

V

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

E

A

S

Q

K

R

Q

E

A

A

L

L

G

G

Q

Q

I

I

A

P

L

L

G

G

R

R

L

L

G

G

E

Q

A

A

Q

E

D

E

I

I

A

A

K

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G18 (= G18), S130 (= S141), Y143 (= Y154), K147 (= K158)
binding 1-(2-amino-4-phenylimidazol-1-yl)-3-(2-fluorophenyl)urea: W95 (= W106), V99 (≠ L110), N100 (≠ D111), L103 (= L114), A145 (= A156), G152 (≠ A163), F153 (= F164)

Query Sequence

>N515DRAFT_2826 FitnessBrowser__Dyella79:N515DRAFT_2826
MSKTLQGEIALVTGASRGIGAAIADELAAQGATVIGTATSESGAAAIGERLAPHGGQGRV
LNVTEPGAIEALVDAIGKDVGALSILVNNAGITRDQLLMRMRDEDWQAILDTNLTSVYRA
SKAVMRGMMKARKGRIVSIASVIGLTGNPGQSNYAAAKAGIIAFSKSLAREIGSRGITVN
VVAPGFIDTDMTRALPEESKQALLGQIALGRLGEAQDIAKAVAFLASPAAAYITGETLHV
NGGMYMP

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