SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Dsui_2448 Dsui_2448 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)

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)
64% identity, 99% coverage: 2:245/246 of query aligns to 6:246/247 of 3op4A

query
sites
3op4A

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G11), S17 (= S13), R18 (= R14), G19 (= G15), I20 (= I16), A39 (= A35), T40 (= T36), L61 (= L60), N62 (≠ E61), V63 (= V62), N89 (= N88), A90 (= A89), G91 (= G90), I92 (= I91), T112 (= T111), V139 (≠ I138), G140 (≠ T139), S141 (= S140), Y154 (= Y153), K158 (= K157), P184 (= P183), G185 (= G184), F186 (= F185), I187 (= I186), T189 (= T188), D190 (= D189), M191 (= M190)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
65% identity, 99% coverage: 2:245/246 of query aligns to 3:243/244 of 6t77A

query
sites
6t77A

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active site: G16 (= G15), S138 (= S140), Y151 (= Y153)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G11), S14 (= S13), R15 (= R14), A36 (= A35), T37 (= T36), L58 (= L60), N59 (≠ E61), V60 (= V62), A87 (= A89), G88 (= G90), I89 (= I91), T109 (= T111)

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)
64% identity, 99% coverage: 2:245/246 of query aligns to 3:243/244 of P0A2C9

query
sites
P0A2C9

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M125 (= M127) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (= A225) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (= S226) 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.

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
64% identity, 99% coverage: 2:245/246 of query aligns to 2:242/243 of 1q7bA

query
sites
1q7bA

L

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active site: G15 (= G15), E101 (= E104), S137 (= S140), Q147 (= Q150), Y150 (= Y153), K154 (= K157)
binding calcium ion: E232 (≠ S235), T233 (= T236)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G11), S13 (= S13), R14 (= R14), I16 (= I16), A35 (= A35), T36 (= T36), L57 (= L60), N58 (≠ E61), V59 (= V62), N85 (= N88), A86 (= A89), G87 (= G90), I88 (= I91), T108 (= T111), I135 (= I138), G136 (≠ T139), S137 (= S140), Y150 (= Y153), K154 (= K157), P180 (= P183), G181 (= G184), F182 (= F185), I183 (= I186)

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)
64% identity, 99% coverage: 2:245/246 of query aligns to 3:243/244 of P0AEK2

query
sites
P0AEK2

L

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E

L

V

G

A

S

S

R

R

N

G

I

I

T

T

V

V

N

N

C

V

V

V

A

A

P

P

G

G

F

F

I
|
I

D

E

T

T

D

D

M

M

T

T

K

R

A

A

L

L

D

S

D

D

K

D

Q

Q

K

R

E

A

G

G

L

I

L

L

G

A

N

Q

I

V

P

P

L

A

G

G

R

R

L

L

G

G

S

G

P

A

E

Q

D

E

I

I

A

A

A

N

A

A

V

V

A

A

F

F

L

L

A

A

S

S

P

D

A

E

A

A

G

A

Y

Y

V

I

T

T

G

G

S
x
E

T

T

I

L

H

H

V

V

N

N

G

G

M

M

Y

Y

M

M

GASR 12:15 (= GASR 11:14) binding
T37 (= T36) binding
NV 59:60 (≠ EV 61:62) binding
N86 (= N88) binding
Y151 (= Y153) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YCAAK 153:157) binding
A154 (= A156) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K157) mutation to A: Defect in the affinity for NADPH.
I184 (= I186) binding
E233 (≠ S235) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
64% identity, 99% coverage: 2:245/246 of query aligns to 2:242/243 of 1q7cA

query
sites
1q7cA

L

F

Q

E

G

G

Q

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

K

R

A

A

V

I

A

A

L

E

E

T

L

L

A

A

R

A

L

R

G

G

A

A

T

K

V

V

V

I

G

G

T

T

A
|
A

T
|
T

S

S

D

E

D

N

G

G

A

A

G

Q

K

A

I

I

S

S

A

D

Y

Y

L

L

A

-

E

-

A

-

G

G

A

A

K

N

G

G

R

K

G

G

A

L

L

M

L
|
L

E
x
N

V
|
V

R

T

D

D

Q

P

A

A

Q

S

V

I

D

E

A

S

L

V

I

L

A

E

A

K

L

I

E

R

K

A

E

E

F

F

G

G

A

E

V

V

S

D

I

I

L

L

V

V

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

N

N

L

L

A

L

M

M

R

R

M

M

K

K

D

D

D

E

E

E

W

W

D

N

A

D

V

I

I

I

D

E

T
|
T

N

N

L

L

K

S

A

S

V

V

F

F

R

R

L

L

S

S

K

K

A

A

V

V

M

M

R

R

G

A

M

M

K

K

A

K

R

R

A

H

G

G

R

R

I

I

N

T

I

I

T

G

S
|
S

V

V

G

G

H

T

A

M

G

G

N

N

P

G

G

G

Q
|
Q

A

A

N

N

Y
x
F

C

A

A

A

K
|
K

A

A

G

G

V

L

S

I

G

G

M

F

T

S

R

K

S

S

L

L

A

A

R

R

E

E

L

V

G

A

S

S

R

R

N

G

I

I

T

T

V

V

N

N

C

V

V

V

A

A

P

P

G

G

F

F

I

I

D

E

T

T

D

D

M

M

T

T

K

R

A

A

L

L

D

S

D

D

K

D

Q

Q

K

R

E

A

G

G

L

I

L

L

G

A

N

Q

I

V

P

P

L

A

G

G

R

R

L

L

G

G

S

G

P

A

E

Q

D

E

I

I

A

A

A

N

A

A

V

V

A

A

F

F

L

L

A

A

S

S

P

D

A

E

A

A

G

A

Y

Y

V

I

T

T

G

G

S

E

T

T

I

L

H

H

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G15 (= G15), S137 (= S140), Q147 (= Q150), F150 (≠ Y153), K154 (= K157)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G11), S13 (= S13), R14 (= R14), A35 (= A35), T36 (= T36), L57 (= L60), N58 (≠ E61), V59 (= V62), A86 (= A89), G87 (= G90), I88 (= I91), T108 (= T111)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
64% identity, 100% coverage: 2:246/246 of query aligns to 10:254/254 of 4ag3A

query
sites
4ag3A

L

L

Q

Q

G

G

Q

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

K

Q

A

A

V

I

A

A

L

L

E

E

L

L

A

G

R

R

L

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A
|
A

T
|
T

S

S

D

A

D

S

G

G

A

A

G

E

K

K

I

I

S

A

A

E

Y

T

L

L

A

K

E

A

A

N

G

G

A

V

K

E

G

G

R

A

G

G

A

L

L

V

L
|
L

E
x
D

V
|
V

R

S

D

S

Q

D

A

E

Q

S

V

V

D

A

A

A

L

T

I

L

A

E

A

H

L

I

E

Q

K

Q

E

H

F

L

G

G

A

Q

V

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

N

N

L

L

A

L

M

V

R

R

M

M

K

K

D

D

E

E

W

W

D

F

A

D

V

V

I

V

D

N

T
|
T

N

N

L

L

K

N

A

S

V

L

F

Y

R

R

L

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

A

W

G

G

R

R

I

I

N

N

I
|
I

T
x
G

S
|
S

V

V

G

G

H

A

A

M

G

G

N

N

P

A

G

G

Q

Q

A

T

N

N

Y
|
Y

C

A

A

A

K
|
K

A

A

G

G

V

L

S

E

G

G

M

F

T

T

R

R

S

A

L

L

A

A

R

R

E

E

L

V

G

G

S

S

R

R

N

A

I

I

T

T

V

V

N

N

C

A

V

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

D

D

T
|
T

D
|
D

M
|
M

T
|
T

K

R

A

E

L

L

D

P

D

E

K

A

Q

Q

K

R

E

E

G

A

L

L

G

G

N

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

S

Q

P

A

E

E

D

E

I

I

A

A

A

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

G

A

Y

Y

V

V

T

T

G

G

S

A

T

T

I

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

D

S

active site: G23 (= G15), S148 (= S140), Y161 (= Y153), K165 (= K157)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G11), S21 (= S13), R22 (= R14), G23 (= G15), I24 (= I16), A43 (= A35), T44 (= T36), L68 (= L60), D69 (≠ E61), V70 (= V62), N96 (= N88), A97 (= A89), G98 (= G90), I99 (= I91), T119 (= T111), I146 (= I138), G147 (≠ T139), S148 (= S140), Y161 (= Y153), K165 (= K157), P191 (= P183), G192 (= G184), F193 (= F185), I194 (= I186), T196 (= T188), D197 (= D189), M198 (= M190), T199 (= T191)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
62% identity, 99% coverage: 2:245/246 of query aligns to 2:242/243 of 7emgB

query
sites
7emgB

L

F

Q

E

G

G

Q

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

K

R

A

A

V

I

A

A

L

E

E

T

L

F

A

V

R

A

L

R

G

G

A

A

T

K

V

V

V

I

G

G

T

T

A
|
A

T
|
T

S

S

D

E

D

S

G

G

A

A

G

E

K

A

I

I

S

S

A

G

Y

Y

L

L

A

-

E

-

A

-

G

G

A

A

K

N

G

G

R

K

G

G

A

F

L

M

L
|
L

E
x
N

V
|
V

R
x
K

D

D

Q

A

A

Q

Q

S

V

I

D

D

A

S

L

V

I

L

A

A

A

S

L

I

E

R

K

A

E

E

F

F

G

G

A

E

V

I

S

D

I

I

L

L

V

V

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

N

N

L

L

A

L

M

M

R

R

M

M

K

K

D

D

E

E

W

W

D

E

A

D

V

I

I

L

D

D

T
|
T

N

N

L

L

K

T

A

S

V

V

F

F

R

R

L

L

S

S

K

K

A

A

V

V

M

M

R

C

G

A

M

M

K

K

A

K

R

R

A

F

G

G

R

R

I

I

N

T

I

I

T

G

S

S

V

V

G

G

H

T

A

M

G

G

N

N

P

A

G

G

Q

Q

A

A

N

N

Y

Y

C

A

A

A

K

K

A

A

G

G

V

L

S

I

G

G

M

F

T

S

R

K

S

S

L

L

A

A

R

R

E

E

L

V

G

A

S

S

R

R

N

G

I

I

T

T

V

V

N

N

C

V

V

V

A

A

P

P

G

G

F

Y

I

I

D

E

T

T

D

D

M
|
M

T

T

K

R

A

A

L

L

D

T

D

D

K

D

Q

Q

K

R

E

A

G

G

L

I

L

L

G

S

N

S

I

V

P

P

L

A

G

N

R

R

L

P

G

G

S

D

P

A

E

K

D

E

I

I

A

A

A

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

P

D

A

E

A

A

G

G

Y

Y

V

I

T

T

G

G

S

E

T

T

I

L

H

H

V

V

N

N

G

G

M

M

Y

Y

M

M

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G11), S13 (= S13), R14 (= R14), A35 (= A35), T36 (= T36), L57 (= L60), N58 (≠ E61), V59 (= V62), K60 (≠ R63), A86 (= A89), G87 (= G90), I88 (= I91), T108 (= T111), M187 (= M190)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
62% identity, 99% coverage: 2:245/246 of query aligns to 6:242/243 of 4i08A

query
sites
4i08A

L

L

Q

E

G

G

Q

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

K

K

A

A

V

I

A

A

L

E

E

L

L

L

A

A

R

E

L

R

G

G

A

A

T

K

V

V

V

I

G

G

T

T

A
|
A

T
|
T

S

S

D

E

D

S

G

G

A

A

G

Q

K

A

I

I

S

S

A

D

Y

Y

L

L

A

-

E

-

A

-

G

G

A

D

K

N

G

G

R

K

G

G

A

M

L

A

L
|
L

E
x
N

V
|
V

R

T

D

N

Q

P

A

E

Q

S

V

I

D

E

A

A

L

V

I

L

A

K

A

A

L

I

E

T

K

D

E

E

F

F

G

G

A

G

V

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

N

N

L

L

A

L

M

M

R

R

M

M

K

K

D

E

E

E

W

W

D

S

A

D

V

I

I

M

D

E

T
|
T

N
|
N

L

L

K

T

A

S

V

I

F

F

R

R

L

L

S

S

K

K

A

A

V

V

M

L

R

R

G

G

M

M

K

K

A

K

R

R

A

Q

G

G

R

R

I

I

N

N

I
x
V

T
x
G

S
|
S

V

V

G

G

H

T

A

M

G

G

N

N

P

A

G

G

Q
|
Q

A

A

N

N

Y
|
Y

C

A

A

A

K
|
K

A

A

G

G

V

V

S

I

G

G

M

F

T

T

R

K

S

S

L

M

A

A

R

R

E

E

L

V

G

A

S

S

R

R

N

G

I

V

T

T

V

V

N

N

C

T

V

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

D

E

T
|
T

D

D

M

M

T

-

K

-

A

-

L

-

D

N

D

D

K

E

Q

Q

K

R

E

T

G

A

L

T

L

L

G

A

N

Q

I

V

P

P

L

A

G

G

R

R

L

L

G

G

S

D

P

P

E

R

D

E

I

I

A

A

A

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

P

P

A

E

A

A

G

A

Y

Y

V

I

T

T

G

G

S

E

T

T

I

L

H

H

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G19 (= G15), N113 (= N112), S141 (= S140), Q151 (= Q150), Y154 (= Y153), K158 (= K157)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G11), S17 (= S13), R18 (= R14), G19 (= G15), I20 (= I16), A39 (= A35), T40 (= T36), L61 (= L60), N62 (≠ E61), V63 (= V62), N89 (= N88), A90 (= A89), G91 (= G90), I92 (= I91), T112 (= T111), V139 (≠ I138), G140 (≠ T139), S141 (= S140), Y154 (= Y153), K158 (= K157), P184 (= P183), G185 (= G184), F186 (= F185), I187 (= I186), T189 (= T188)

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)
64% identity, 100% coverage: 2:246/246 of query aligns to 16:255/255 of 4bo4C

query
sites
4bo4C

L

L

Q

Q

G

G

Q

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

K

Q

A

A

V

I

A

A

L

L

E

E

L

L

A

G

R

R

L

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

D

A

D

S

G

G

A

A

G

E

K

K

I

I

S

A

A

E

Y

T

L

L

A

K

E

A

A

N

G

G

A

V

K

E

G

G

R

A

G

G

A

L

L

V

L

L

E

D

V

V

R

S

D

S

Q

D

A

E

Q

S

V

V

D

A

A

A

L

T

I

L

A

E

A

H

L

I

E

Q

K

Q

E

H

F

L

G

G

A

Q

V

P

S

L

I

I

L

V

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

N

N

L

L

A

L

M

V

R

R

M

M

K

K

D

D

E

E

W
|
W

D
x
F

A

D

V

V

I
x
V

D
x
N

T

T

N

N

L
|
L

K

N

A

S

V

L

F

Y

R

R

L

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

A

W

G

G

R

R

I

I

N

N

I

I

T

G

S
|
S

V

V

G

G

H

-

A

-

G

G

N

N

P

A

G

G

Q

Q

A

T

N

N

Y
|
Y

C

A

A

A

K
|
K

A
|
A

G
|
G

V

L

S

E

G
|
G

M
x
F

T

T

R

R

S

A

L

L

A

A

R

R

E

E

L

V

G

G

S

S

R

R

N

A

I

I

T

T

V

V

N

N

C

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

K

R

A

-

L

-

D

-

D

E

K

A

Q

Q

K

R

E

E

G

A

L

L

G

G

N

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

S

Q

P

A

E

E

D

E

I

I

A

A

A

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

G

A

Y

Y

V

V

T

T

G

G

S

A

T

T

I

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

D

S

active site: G29 (= G15), S154 (= S140), Y165 (= Y153), K169 (= K157)
binding N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide: W119 (= W105), F120 (≠ D106), V123 (≠ I109), N124 (≠ D110), L127 (= L113), A170 (= A158), G171 (= G159), G174 (= G162), F175 (≠ M163)

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)
62% identity, 100% coverage: 2:246/246 of query aligns to 5:241/241 of 4bnzA

query
sites
4bnzA

L

L

Q

Q

G

G

Q

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

K

Q

A

A

V

I

A

A

L

L

E

E

L

L

A

G

R

R

L

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

D

A

D

S

G

G

A

A

G

E

K

K

I

I

S

A

A

E

Y

T

L

L

A

K

E

A

A

N

G

G

A

V

K

E

G

G

R

A

G

G

A

L

L

V

L

L

E

D

V

V

R

S

D

S

Q

D

A

E

Q

S

V

V

D

A

A

A

L

T

I

L

A

E

A

H

L

I

E

Q

K

Q

E

H

F

L

G

G

A

Q

V

P

S

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

N

-

L

-

A

-

M

-

R

R

M

M

K

K

D

D

E

E

W
|
W

D
x
F

A

D

V

V

I
x
V

D
x
N

T

T

N

N

L
|
L

K

N

A

S

V

L

F

Y

R

R

L

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

A

W

G

G

R

R

I

I

N

N

I

I

T

G

S
|
S

V

V

G

G

H

A

A

M

G

G

N

N

P

A

G

G

Q

Q

A

T

N

N

Y
|
Y

C

A

A
|
A

A

A

K
|
K

A

A

G
|
G

V

L

S

E

G
|
G

M
x
F

T

T

R

R

S

A

L

L

A

A

R

R

E

E

L

V

G

G

S

S

R

R

N

A

I

I

T

T

V

V

N

N

C

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

K

R

A

E

L

L

D

P

D

E

K

A

Q

Q

K

R

E

E

G

A

L

L

G

G

N

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

S

Q

P

A

E

E

D

E

I

I

A

A

A

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

G

A

Y

Y

V

V

T

T

G

G

S

A

T

T

I

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

D

S

active site: G18 (= G15), S135 (= S140), Y148 (= Y153), K152 (= K157)
binding 1-methyl-N-phenyl-indole-3-carboxamide: W100 (= W105), F101 (≠ D106), V104 (≠ I109), N105 (≠ D110), L108 (= L113), A150 (= A155), G154 (= G159), G157 (= G162), F158 (≠ M163)

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)
61% identity, 100% coverage: 2:246/246 of query aligns to 4:239/239 of 4bnyA

query
sites
4bnyA

L

L

Q

Q

G

G

Q

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

K

Q

A

A

V

I

A

A

L

L

E

E

L

L

A

G

R

R

L

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

D

A

D

S

G

G

A

A

G

E

K

K

I

I

S

A

A

E

Y

T

L

L

A

K

E

A

A

N

G

G

A

V

K

E

G

G

R

A

G

G

A

L

L

V

L

L

E

D

V

V

R

S

D

S

Q

D

A

E

Q

S

V

V

D

A

A

A

L

T

I

L

A

E

A

H

L

I

E

Q

K

Q

E

H

F

L

G

G

A

Q

V

P

S

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

N

-

L

-

A

-

M

-

R

R

M

M

K

K

D

D

E

E

W
|
W

D

F

A

D

V

V

I
x
V

D

N

T

T

N

N

L
|
L

K

N

A

S

V

L

F

Y

R

R

L

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

A

W

G

G

R

R

I

I

N

N

I

I

T

G

S
|
S

V

V

G

G

H

A

A

M

G

G

N

N

P

A

G

G

Q

Q

A

T

N

N

Y
|
Y

C

A

A
|
A

A

A

K
|
K

A

A

G
|
G

V

L

S

E

G
|
G

M
x
F

T

T

R

R

S

A

L

L

A

A

R

R

E

E

L

V

G

G

S

S

R

R

N

A

I

I

T

T

V

V

N

N

C

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

K

R

A

E

L

L

D

P

D

E

K

A

Q

Q

K

R

E

E

G

A

L

L

G

G

N

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

S

Q

P

A

E

E

D

E

I

I

A

A

A

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

G

A

Y

Y

V

V

T

T

G

G

S

A

T

T

I

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

D

S

active site: G17 (= G15), S133 (= S140), Y146 (= Y153), K150 (= K157)
binding 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine: W98 (= W105), V102 (≠ I109), L106 (= L113), A148 (= A155), G152 (= G159), G155 (= G162), F156 (≠ M163)

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)
61% identity, 99% coverage: 2:245/246 of query aligns to 5:239/239 of 4bnxA

query
sites
4bnxA

L

L

Q

Q

G

G

Q

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

K

Q

A

A

V

I

A

A

L

L

E

E

L

L

A

G

R

R

L

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

D

A

D

S

G

G

A

A

G

E

K

K

I

I

S

A

A

E

Y

T

L

L

A

K

E

A

A

N

G

G

A

V

K

E

G

G

R

A

G

G

A

L

L

V

L

L

E

D

V

V

R

S

D

S

Q

D

A

E

Q

S

V

V

D

A

A

A

L

T

I

L

A

E

A

H

L

I

E

Q

K

Q

E

H

F

L

G

G

A

Q

V

P

S

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

N

-

L

-

A

-

M

-

R

R

M

M

K

K

D

D

E

E

W

W

D

F

A

D

V

V

I
x
V

D
x
N

T

T

N

N

L
|
L

K

N

A

S

V

L

F

Y

R

R

L

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

A

W

G

G

R

R

I

I

N

N

I

I

T

G

S
|
S

V

V

G

G

H

A

A

M

G

G

N

N

P

A

G

G

Q

Q

A

T

N

N

Y
|
Y

C

A

A
|
A

A

A

K
|
K

A
|
A

G
|
G

V

L

S

E

G
|
G

M
x
F

T

T

R

R

S

A

L

L

A

A

R

R

E

E

L

V

G

G

S

S

R

R

N

A

I

I

T

T

V

V

N

N

C

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

K

R

A

E

L

L

D

P

D

E

K

A

Q

Q

K

R

E

E

G

A

L

L

G

G

N

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

S

Q

P

A

E

E

D

E

I

I

A

A

A

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

G

A

Y

Y

V

V

T

T

G

G

S

A

T

T

I

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

active site: G18 (= G15), S134 (= S140), Y147 (= Y153), K151 (= K157)
binding 6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one: V103 (≠ I109), N104 (≠ D110), L107 (= L113), A149 (= A155), A152 (= A158), G153 (= G159), G156 (= G162), F157 (≠ M163)

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)
61% identity, 100% coverage: 2:246/246 of query aligns to 5:239/239 of 4bnuA

query
sites
4bnuA

L

L

Q

Q

G

G

Q

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

K

Q

A

A

V

I

A

A

L

L

E

E

L

L

A

G

R

R

L

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

D

A

D

S

G

G

A

A

G

E

K

K

I

I

S

A

A

E

Y

T

L

L

A

K

E

A

A

N

G

G

A

V

K

E

G

G

R

A

G

G

A

L

L

V

L

L

E

D

V

V

R

S

D

S

Q

D

A

E

Q

S

V

V

D

A

A

A

L

T

I

L

A

E

A

H

L

I

E

Q

K

Q

E

H

F

L

G

G

A

Q

V

P

S

L

I

I

L

V

V

V

N

N

A

-

G

-

I

-

T

-

R

-

D

-

N

-

L

-

A

-

M

-

R

R

M

M

K

K

D

D

E

E

W
|
W

D

F

A

D

V

V

I
x
V

D

N

T

T

N

N

L
|
L

K

N

A

S

V

L

F

Y

R

R

L

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

A

W

G

G

R

R

I

I

N

N

I

I

T

G

S
|
S

V

V

G

G

H

A

A

M

G

G

N

N

P

A

G

G

Q

Q

A

T

N

N

Y
|
Y

C

A

A
|
A

A

A

K
|
K

A

A

G
|
G

V

L

S

E

G
|
G

M
x
F

T

T

R

R

S

A

L

L

A

A

R

R

E

E

L

V

G

G

S

S

R

R

N

A

I

I

T

T

V

V

N

N

C

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

K

R

A

E

L

L

D

P

D

E

K

A

Q

Q

K

R

E

E

G

A

L

L

G

G

N

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

S

Q

P

A

E

E

D

E

I

I

A

A

A

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

G

A

Y

Y

V

V

T

T

G

G

S

A

T

T

I

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

D

S

active site: G18 (= G15), S133 (= S140), Y146 (= Y153), K150 (= K157)
binding 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline: W98 (= W105), V102 (≠ I109), L106 (= L113), A148 (= A155), G152 (= G159), G155 (= G162), F156 (≠ M163)

4bntA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 2-(trifluoromethyl)-1h- benzimidazole at 2.3a resolution (see paper)
61% identity, 100% coverage: 2:246/246 of query aligns to 6:240/240 of 4bntA

query
sites
4bntA

L

L

Q

Q

G

G

Q

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

K

Q

A

A

V

I

A

A

L

L

E

E

L

L

A

G

R

R

L

L

G

G

A

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

D

A

D

S

G

G

A

A

G

E

K

K

I

I

S

A

A

E

Y

T

L

L

A

K

E

A

A

N

G

G

A

V

K

E

G

G

R

A

G

G

A

L

L

V

L

L

E

D

V

V

R

S

D

S

Q

D

A

E

Q

S

V

V

D

A

A

A

L

T

I

L

A

E

A

H

L

I

E

Q

K

Q

E

H

F

L

G

G

A

Q

V

P

S

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

N

-

L

-

A

-

M

-

R

-

M

M

K

K

D

D

E

E

W

W

D

F

A

D

V

V

I
x
V

D
x
N

T

T

N

N

L
|
L

K

N

A

S

V

L

F

Y

R

R

L

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

A

W

G

G

R

R

I

I

N

N

I

I

T

G

S
|
S

V

V

G

G

H

A

A

M

G

G

N

N

P

A

G

G

Q

Q

A

T

N

N

Y
|
Y

C

A

A

A

K
|
K

A

A

G
|
G

V

L

S

E

G

G

M

F

T

T

R

R

S

A

L

L

A

A

R

R

E

E

L

V

G

G

S

S

R

R

N

A

I

I

T

T

V

V

N

N

C

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

K

R

A

E

L

L

D

P

D

E

K

A

Q

Q

K

R

E

E

G

A

L

L

G

G

N

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

S

Q

P

A

E

E

D

E

I

I

A

A

A

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

P

D

A

G

A

A

G

A

Y

Y

V

V

T

T

G

G

S

A

T

T

I

V

H

P

V

V

N

N

G

G

M

M

Y

Y

M

M

D

S

active site: G19 (= G15), S134 (= S140), Y147 (= Y153), K151 (= K157)
binding 2-(trifluoromethyl)-1H-benzimidazole: V103 (≠ I109), N104 (≠ D110), L107 (= L113), G153 (= G159)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
57% identity, 98% coverage: 5:245/246 of query aligns to 6:243/244 of 6t62A

query
sites
6t62A

Q

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

K

A

A

A

V

I

A

A

L

Q

E

Q

L

L

A

I

R

Q

L

D

G

G

A

Y

T

F

V

V

G

G

T

T

A
|
A

T
|
T

S

S

D

E

D

S

G

G

A

A

G

Q

K

K

I

L

S

T

A

D

Y

S

L

F

A

G

E

E

A

Q

G

G

A

A

K

-

G

-

R

-

G

G

A

L

L

A

L
|
L

E
x
D

V
|
V

R
|
R

D

N

Q

L

A

D

Q

E

V

I

D

E

A

A

L

V

I

V

A

S

A

H

L

I

E

E

K

Q

E

N

F

Y

G

G

A

P

V

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

N

N

L

L

A

L

M

L

R

R

M

M

K

S

D

E

D

D

E

D

W

W

D

D

A

D

V

I

I

L

D

N

T
x
I

N
x
H

L

L

K

K

A

A

V

V

F

Y

R

R

L

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

A

F

G

G

R

R

I

I

N

N

I
|
I

T
x
S

S
|
S

V

V

G

A

H

H

A

F

G

A

N

N

P

P

G

G

Q

Q

A

A

N

N

Y
|
Y

C

S

A

A

K
|
K

A

A

G

G

V

I

S

E

G

A

M

F

T

S

R

R

S

S

L

L

A

A

R

K

E

E

L

M

G

G

S

S

R

R

N

Q

I

I

T

T

V

V

N

N

C

S

V

V

A

A

P
|
P

G
|
G

F

F

I
|
I

D

A

T
|
T

D

E

M
|
M

T

T

K

D

A

A

L

L

D

S

D

E

K

D

Q

I

K

R

E

K

G

K

L

M

L

S

G

D

N

Q

I

V

P

A

L

L

G

N

R

R

L

L

G

G

S

E

P

P

E

Q

D

D

I

I

A

A

A

N

A

A

V

V

A

S

F

F

L

L

A

A

S

S

P

D

A

K

A

A

G

G

Y

Y

V

I

T

T

G

G

S

T

T

V

I

L

H

H

V

V

N

N

G

G

M

L

Y

Y

M

M

active site: G16 (= G15), S138 (= S140), Y151 (= Y153)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G11), S14 (= S13), R15 (= R14), I17 (= I16), A36 (= A35), T37 (= T36), L58 (= L60), D59 (≠ E61), V60 (= V62), R61 (= R63), N86 (= N88), A87 (= A89), G88 (= G90), I89 (= I91), I109 (≠ T111), H110 (≠ N112), I136 (= I138), S137 (≠ T139), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), I184 (= I186), T186 (= T188), M188 (= M190)

6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
57% identity, 98% coverage: 5:245/246 of query aligns to 6:243/244 of 6wprA

query
sites
6wprA

Q

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

K

A

A

A

V

I

A

A

L

Q

E

Q

L

L

A

I

R

Q

L

D

G

G

A

Y

T

F

V

V

G

G

T

T

A
|
A

T
|
T

S

S

D

E

D

S

G

G

A

A

G

Q

K

K

I

L

S

T

A

D

Y

S

L

F

A

G

E

E

A

Q

G

G

A

A

K

-

G

-

R

-

G

G

A

L

L

A

L
|
L

E
x
D

V
|
V

R
|
R

D

N

Q

L

A

D

Q

E

V

I

D

E

A

A

L

V

I

V

A

S

A

H

L

I

E

E

K

Q

E

N

F

Y

G

G

A

P

V

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

N

N

L

L

A

L

M

L

R

R

M

M

K

S

D

E

D

D

E

D

W

W

D

D

A

D

V

I

I

L

D

N

T
x
I

N
x
H

L

L

K

K

A

A

V

V

F

Y

R

R

L

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

A

F

G

G

R

R

I

I

N

N

I
|
I

T
x
S

S
|
S

V

V

G

A

H

H

A

F

G

A

N

N

P

P

G

G

Q

Q

A

A

N

N

Y
|
Y

C

S

A

A

K
|
K

A

A

G

G

V

I

S

E

G

A

M

F

T

S

R

R

S

S

L

L

A

A

R

K

E

E

L

M

G

G

S

S

R

R

N

Q

I

I

T

T

V

V

N

N

C

S

V

V

A

A

P
|
P

G
|
G

F

F

I
|
I

D

A

T
|
T

D

E

M

M

T

T

K

D

A

A

L

L

D

S

D

E

K

D

Q

I

K

R

E

K

G

K

L

M

L

S

G

D

N

Q

I

V

P

A

L

L

G

N

R

R

L

L

G

G

S

E

P

P

E

Q

D
&