SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 15215 b1093 3-oxoacyl-[acyl-carrier-protein] reductase (NCBI) 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)

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

query
sites
P0AEK2

M

M

N

N

F

F

E

E

G

G

K

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

E

E

T

T

L

L

A

A

R

R

G

G

A

A

K

K

V

V

I

I

G

G

T

T

A

A

T
|
T

S

S

E

E

N

N

G

G

A

A

Q

Q

A

A

I

I

S

S

D

D

Y

Y

L

L

G

G

A

A

N

N

G

G

K

K

G

G

L

L

M

M

L

L

N
|
N

V
|
V

T

T

D

D

P

P

A

A

S

S

I

I

E

E

S

S

V

V

L

L

E

E

K

K

I

I

R

R

A

A

E

E

F

F

G

G

E

E

V

V

D

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

M

M

R

R

M

M

K

K

D

D

E

E

W

W

N

N

D

D

I

I

E

E

T

T

N

N

L

L

S

S

V

V

F

F

R

R

L

L

S

S

K

K

A

A

V

V

M

M

R

R

A

A

M

M

K

K

R

R

H

H

G

G

R

R

I

I

T

T

I

I

G

G

S

S

V

V

G

G

T

T

M

M

G

G

N

N

G

G

Q

Q

A

A

N

N

Y
|
Y

A
|
A

K
|
K

A

A

G

G

L

L

I

I

G

G

F

F

S

S

K

K

S

S

L

L

A

A

R

R

E

E

V

V

A

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

E

E

T

T

D

D

M

M

T

T

R

R

A

A

L

L

S

S

D

D

Q

Q

R

R

A

A

G

G

I

I

L

L

A

A

Q

Q

V

V

P

P

A

A

G

G

R

R

L

L

G

G

A

A

Q

Q

E

E

I

I

A

A

N

N

A

A

V

V

A

A

F

F

L

L

A

A

S

S

D

D

E

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

V

V

GASR 12:15 (= GASR 12:15) binding
T37 (= T37) binding
NV 59:60 (= NV 59:60) binding
N86 (= N86) binding
Y151 (= Y151) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (= YAAAK 151:155) binding
A154 (= A154) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K155) mutation to A: Defect in the affinity for NADPH.
I184 (= I184) binding
E233 (= E233) 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)
100% identity, 100% coverage: 2:244/244 of query aligns to 1:243/243 of 1q7bA

query
sites
1q7bA

N

N

F

F

E

E

G

G

K

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

E

E

T

T

L

L

A

A

R

R

G

G

A

A

K

K

V

V

I

I

G

G

T

T

A
|
A

T
|
T

S

S

E

E

N

N

G

G

A

A

Q

Q

A

A

I

I

S

S

D

D

Y

Y

L

L

G

G

A

A

N

N

G

G

K

K

G

G

L

L

M

M

L
|
L

N
|
N

V
|
V

T

T

D

D

P

P

A

A

S

S

I

I

E

E

S

S

V

V

L

L

E

E

K

K

I

I

R

R

A

A

E

E

F

F

G

G

E

E

V

V

D

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

M

M

R

R

M

M

K

K

D

D

E

E

E
|
E

W

W

N

N

D

D

I

I

E

E

T
|
T

N

N

L

L

S

S

V

V

F

F

R

R

L

L

S

S

K

K

A

A

V

V

M

M

R

R

A

A

M

M

K

K

R

R

H

H

G

G

R

R

I

I

T

T

I
|
I

G
|
G

S
|
S

V

V

G

G

T

T

M

M

G

G

N

N

G

G

Q
|
Q

A

A

N

N

Y
|
Y

A

A

K
|
K

A

A

G

G

L

L

I

I

G

G

F

F

S

S

K

K

S

S

L

L

A

A

R

R

E

E

V

V

A

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

E

E

T

T

D

D

M

M

T

T

R

R

A

A

L

L

S

S

D

D

Q

Q

R

R

A

A

G

G

I

I

L

L

A

A

Q

Q

V

V

P

P

A

A

G

G

R

R

L

L

G

G

A

A

Q

Q

E

E

I

I

A

A

N

N

A

A

V

V

A

A

F

F

L

L

A

A

S

S

D

D

E

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

V

V

active site: G15 (= G16), E101 (= E102), S137 (= S138), Q147 (= Q148), Y150 (= Y151), K154 (= K155)
binding calcium ion: E232 (= E233), T233 (= T234)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G12), S13 (= S14), R14 (= R15), I16 (= I17), A35 (= A36), T36 (= T37), L57 (= L58), N58 (= N59), V59 (= V60), N85 (= N86), A86 (= A87), G87 (= G88), I88 (= I89), T108 (= T109), I135 (= I136), G136 (= G137), S137 (= S138), Y150 (= Y151), K154 (= K155), P180 (= P181), G181 (= G182), F182 (= F183), I183 (= I184)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
100% identity, 100% coverage: 2:244/244 of query aligns to 1:243/243 of 1q7cA

query
sites
1q7cA

N

N

F

F

E

E

G

G

K

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

E

E

T

T

L

L

A

A

R

R

G

G

A

A

K

K

V

V

I

I

G

G

T

T

A
|
A

T
|
T

S

S

E

E

N

N

G

G

A

A

Q

Q

A

A

I

I

S

S

D

D

Y

Y

L

L

G

G

A

A

N

N

G

G

K

K

G

G

L

L

M

M

L
|
L

N
|
N

V
|
V

T

T

D

D

P

P

A

A

S

S

I

I

E

E

S

S

V

V

L

L

E

E

K

K

I

I

R

R

A

A

E

E

F

F

G

G

E

E

V

V

D

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

M

M

R

R

M

M

K

K

D

D

E

E

W

W

N

N

D

D

I

I

E

E

T
|
T

N

N

L

L

S

S

V

V

F

F

R

R

L

L

S

S

K

K

A

A

V

V

M

M

R

R

A

A

M

M

K

K

R

R

H

H

G

G

R

R

I

I

T

T

I

I

G

G

S
|
S

V

V

G

G

T

T

M

M

G

G

N

N

G

G

Q
|
Q

A

A

N

N

Y
x
F

A

A

K
|
K

A

A

G

G

L

L

I

I

G

G

F

F

S

S

K

K

S

S

L

L

A

A

R

R

E

E

V

V

A

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

E

E

T

T

D

D

M

M

T

T

R

R

A

A

L

L

S

S

D

D

Q

Q

R

R

A

A

G

G

I

I

L

L

A

A

Q

Q

V

V

P

P

A

A

G

G

R

R

L

L

G

G

A

A

Q

Q

E

E

I

I

A

A

N

N

A

A

V

V

A

A

F

F

L

L

A

A

S

S

D

D

E

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

V

V

active site: G15 (= G16), S137 (= S138), Q147 (= Q148), F150 (≠ Y151), K154 (= K155)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G12), S13 (= S14), R14 (= R15), A35 (= A36), T36 (= T37), L57 (= L58), N58 (= N59), V59 (= V60), A86 (= A87), G87 (= G88), I88 (= I89), T108 (= T109)

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)
96% identity, 100% coverage: 1:244/244 of query aligns to 1:244/244 of P0A2C9

query
sites
P0A2C9

M

M

N

S

F

F

E

E

G

G

K

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

E

E

T

T

L

L

A

V

A

A

R

R

G

G

A

A

K

K

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

E

N

N

G

G

A

A

Q

K

A

N

I

I

S

S

D

D

Y

Y

L

L

G

G

A

A

N

N

G

G

K

K

G

G

L

L

M

M

L

L

N

N

V

V

T

T

D

D

P

P

A

A

S

S

I

I

E

E

S

S

V

V

L

L

E

E

K

N

I

I

R

R

A

A

E

E

F

F

G

G

E

E

V

V

D

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

M

M

R

R

M

M

K

K

D

D

E

D

E

E

W

W

N

N

D

D

I

I

E

E

T

T

N

N

L

L

S

S

V

V

F

F

R

R

L

L

S

S

K

K

A

A

V

V

M

M

R

R

A

A

M
|
M

M

M

K

K

R

R

H

C

G

G

R

R

I

I

T

T

I

I

G

G

S

S

V

V

G

G

T

T

M

M

G

G

N

N

G

A

G

G

Q

Q

A

A

N

N

Y

Y

A

A

K

K

A

A

G

G

L

L

I

I

G

G

F

F

S

S

K

K

S

S

L

L

A

A

R

R

E

E

V

V

A

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

E

E

T

T

D

D

M

M

T

T

R

R

A

A

L

L

S

S

D

D

Q

Q

R

R

A

A

G

G

I

I

L

L

A

A

Q

Q

V

V

P

P

A

A

G

G

R

R

L

L

G

G

A

A

Q

Q

E

E

I

I

A

A

N

S

A

A

V

V

A

A

F

F

L

L

A
|
A

S
|
S

D

D

E

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

V

V

M125 (= M125) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (= A223) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (= S224) 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)
93% identity, 100% coverage: 1:244/244 of query aligns to 1:244/244 of 6t77A

query
sites
6t77A

M

M

N

S

F

F

E

E

G

G

K

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

E

E

T

T

L

L

A

V

A

A

R

R

G

G

A

A

K

K

V

V

I

I

G

G

T

T

A
|
A

T
|
T

S

S

E

E

N

S

G

G

A

A

Q

Q

A

A

I

I

S

S

D

D

Y

Y

L

L

G

G

A

A

N

N

G

G

K

K

G

G

L

L

M

M

L
|
L

N
|
N

V
|
V

T

T

D

D

P

P

A

A

S

S

I

I

E

E

S

S

V

V

L

L

E

E

K

N

I

V

R

R

A

A

E

E

F

F

G

G

E

E

V

V

D

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

M

M

R

R

M

M

K

K

D

D

E

D

E

E

W

W

N

N

D

D

I

I

E

E

T
|
T

N

N

L

L

S

S

V

V

F

F

R

R

L

L

S

S

K

K

A

A

V

V

M

M

R

R

A

A

M

M

K

K

R

R

H

H

G

G

R

R

I

I

T

T

I

I

G

G

S
|
S

V

V

G

G

T

T

M

M

G

G

N

N

G

A

G

G

Q

Q

A

A

N

N

Y
|
Y

A

A

K

K

A

A

G

G

L

L

I

I

G

G

F

F

S

S

K

K

S

S

L

L

A

A

R

R

E

E

V

V

A

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

E

E

T

T

D

D

M

M

T

T

R

R

A

A

L

L

S

T

D

D

D

E

Q

Q

R

R

A

A

G

G

I

T

L

L

A

A

Q

A

V

V

P

P

A

A

G

G

R

R

L

L

G

G

G

T

A

P

Q

N

E

E

I

I

A

A

N

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

D

D

E

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

V

V

active site: G16 (= G16), S138 (= S138), Y151 (= Y151)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G12), S14 (= S14), R15 (= R15), A36 (= A36), T37 (= T37), L58 (= L58), N59 (= N59), V60 (= V60), A87 (= A87), G88 (= G88), I89 (= I89), T109 (= T109)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
86% identity, 100% coverage: 2:244/244 of query aligns to 1:243/243 of 7emgB

query
sites
7emgB

N

S

F

F

E

E

G

G

K

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

E

E

T

T

L

F

A

V

A

A

R

R

G

G

A

A

K

K

V

V

I

I

G

G

T

T

A
|
A

T
|
T

S

S

E

E

N

S

G

G

A

A

Q

E

A

A

I

I

S

S

D

G

Y

Y

L

L

G

G

A

A

N

N

G

G

K

K

G

G

L

F

M

M

L
|
L

N
|
N

V
|
V

T
x
K

D

D

P

A

A

Q

S

S

I

I

E

D

S

S

V

V

L

L

E

A

K

S

I

I

R

R

A

A

E

E

F

F

G

G

E

E

V

I

D

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

M

M

R

R

M

M

K

K

D

D

E

D

E

E

W

W

N

E

D

D

I

I

I

L

E

D

T
|
T

N

N

L

L

S

T

S

S

V

V

F

F

R

R

L

L

S

S

K

K

A

A

V

V

M

M

R

C

A

A

M

M

K

K

R

R

H

F

G

G

R

R

I

I

T

T

I

I

G

G

S

S

V

V

G

G

T

T

M

M

G

G

N

N

G

A

G

G

Q

Q

A

A

N

N

Y

Y

A

A

K

K

A

A

G

G

L

L

I

I

G

G

F

F

S

S

K

K

S

S

L

L

A

A

R

R

E

E

V

V

A

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

E

E

T

T

D

D

M
|
M

T

T

R

R

A

A

L

L

S

T

D

D

Q

Q

R

R

A

A

G

G

I

I

L

L

A

S

Q

S

V

V

P

P

A

A

G

N

R

R

L

P

G

G

G

D

A

A

Q

K

E

E

I

I

A

A

N

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

D

D

E

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

V

I

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G12), S13 (= S14), R14 (= R15), A35 (= A36), T36 (= T37), L57 (= L58), N58 (= N59), V59 (= V60), K60 (≠ T61), A86 (= A87), G87 (= G88), I88 (= I89), T108 (= T109), M187 (= M188)

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)
82% identity, 100% coverage: 1:244/244 of query aligns to 4:247/247 of 3op4A

query
sites
3op4A

M

M

N

N

F

L

E

E

G

G

K

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

E

E

T

L

L

L

A

A

A

E

R

R

G

G

A

A

K

K

V

V

I

I

G

G

T

T

A
|
A

T
|
T

S

S

E

E

N

S

G

G

A

A

Q

Q

A

A

I

I

S

S

D

D

Y

Y

L

L

G

G

A

D

N

N

G

G

K

K

G

G

L

M

M

A

L
|
L

N
|
N

V
|
V

T

T

D

N

P

P

A

E

S

S

I

I

E

E

S

A

V

V

L

L

E

K

K

A

I

I

R

T

A

D

E

E

F

F

G

G

E

G

V

V

D

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

M

M

R

R

M

M

K

K

D

E

E

E

W

W

N

S

D

D

I

I

I

M

E

E

T
|
T

N

N

L

L

S

T

S

S

V

I

F

F

R

R

L

L

S

S

K

K

A

A

V

V

M

L

R

R

A

G

M

M

K

K

R

R

H

Q

G

G

R

R

I

I

T

N

I
x
V

G
|
G

S
|
S

V

V

G

G

T

T

M

M

G

G

N

N

G

A

G

G

Q

Q

A

A

N

N

Y
|
Y

A

A

K
|
K

A

A

G

G

L

V

I

I

G

G

F

F

S

T

K

K

S

S

L

M

A

A

R

R

E

E

V

V

A

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

E

E

T
|
T

D
|
D

M
|
M

T

T

R

K

A

A

L

L

S

N

D

D

D

E

Q

Q

R

R

A

T

G

A

I

T

L

L

A

A

Q

Q

V

V

P

P

A

A

G

G

R

R

L

L

G

G

G

D

A

P

Q

R

E

E

I

I

A

A

N

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

D

P

E

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

V

I

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G12), S17 (= S14), R18 (= R15), G19 (= G16), I20 (= I17), A39 (= A36), T40 (= T37), L61 (= L58), N62 (= N59), V63 (= V60), N89 (= N86), A90 (= A87), G91 (= G88), I92 (= I89), T112 (= T109), V139 (≠ I136), G140 (= G137), S141 (= S138), Y154 (= Y151), K158 (= K155), P184 (= P181), G185 (= G182), F186 (= F183), I187 (= I184), T189 (= T186), D190 (= D187), M191 (= M188)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
80% identity, 100% coverage: 1:244/244 of query aligns to 4:243/243 of 4i08A

query
sites
4i08A

M

M

N

N

F

L

E

E

G

G

K

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

E

E

T

L

L

L

A

A

A

E

R

R

G

G

A

A

K

K

V

V

I

I

G

G

T

T

A
|
A

T
|
T

S

S

E

E

N

S

G

G

A

A

Q

Q

A

A

I

I

S

S

D

D

Y

Y

L

L

G

G

A

D

N

N

G

G

K

K

G

G

L

M

M

A

L
|
L

N
|
N

V
|
V

T

T

D

N

P

P

A

E

S

S

I

I

E

E

S

A

V

V

L

L

E

K

K

A

I

I

R

T

A

D

E

E

F

F

G

G

E

G

V

V

D

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

M

M

R

R

M

M

K

K

D

E

E

E

W

W

N

S

D

D

I

I

I

M

E

E

T
|
T

N
|
N

L

L

S

T

S

S

V

I

F

F

R

R

L

L

S

S

K

K

A

A

V

V

M

L

R

R

A

G

M

M

K

K

R

R

H

Q

G

G

R

R

I

I

T

N

I
x
V

G
|
G

S
|
S

V

V

G

G

T

T

M

M

G

G

N

N

G

A

G

G

Q
|
Q

A

A

N

N

Y
|
Y

A

A

K
|
K

A

A

G

G

L

V

I

I

G

G

F

F

S

T

K

K

S

S

L

M

A

A

R

R

E

E

V

V

A

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

E

E

T
|
T

D

D

M

M

T

-

R

-

A

-

L

-

S

N

D

D

D

E

Q

Q

R

R

A

T

G

A

I

T

L

L

A

A

Q

Q

V

V

P

P

A

A

G

G

R

R

L

L

G

G

G

D

A

P

Q

R

E

E

I

I

A

A

N

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

D

P

E

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

V

I

active site: G19 (= G16), N113 (= N110), S141 (= S138), Q151 (= Q148), Y154 (= Y151), K158 (= K155)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G12), S17 (= S14), R18 (= R15), G19 (= G16), I20 (= I17), A39 (= A36), T40 (= T37), L61 (= L58), N62 (= N59), V63 (= V60), N89 (= N86), A90 (= A87), G91 (= G88), I92 (= I89), T112 (= T109), V139 (≠ I136), G140 (= G137), S141 (= S138), Y154 (= Y151), K158 (= K155), P184 (= P181), G185 (= G182), F186 (= F183), I187 (= I184), T189 (= T186)

3tzcA Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg)(y155f) from vibrio cholerae (see paper)
74% identity, 99% coverage: 1:242/244 of query aligns to 4:224/224 of 3tzcA

query
sites
3tzcA

M

M

N

N

F

L

E

E

G

G

K

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

E

E

T

L

L

L

A

A

A

E

R

R

G

G

A

A

K

K

V

V

I

I

G

G

T

T

A
|
A

T
|
T

S

S

E

E

N

S

G

G

A

A

Q

Q

A

A

I

I

S

S

D

D

Y

Y

L

L

G

G

A

D

N

N

G

G

K

K

G

G

L

M

M

A

L
|
L

N
|
N

V
|
V

T

T

D

N

P

P

A

E

S

S

I

I

E

E

S

A

V

V

L

L

E

K

K

A

I

I

R

T

A

D

E

E

F

F

G

G

E

G

V

V

D

D

I

I

L

L

V

V

N

N

A
|
A

G
|
G

I
|
I

T
|
T

R

R

D

-

N

-

L

-

M

M

R

R

M

M

K

K

D

E

E

E

W

W

N

S

D

D

I

I

I

M

E

E

T
|
T

N

N

L

L

S

T

S

S

V

I

F

F

R

R

L

L

S

S

K

K

A

A

V

V

M

L

R

R

A

G

M

M

K

K

R

R

H

Q

G

G

R

R

I

I

T

N

I

V

G

G

S

S

V

V

G

-

T

-

M

-

G

-

N

-

G

-

Q

-

A

-

N

-

Y

-

A

-

A

A

K

K

A

A

G

G

L

V

I

I

G

G

F

F

S

T

K

K

S

S

L

M

A

A

R

R

E

E

V

V

A

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

E

E

T

T

D

D

M

M

T

-

R

-

A

-

L

-

S

-

D

D

D

E

Q

Q

R

R

A

T

G

A

I

T

L

L

A

A

Q

Q

V

V

P

P

A

A

G

G

R

R

L

L

G

G

G

D

A

P

Q

R

E

E

I

I

A

A

N

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

D

P

E

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 (= G12), S17 (= S14), R18 (= R15), A39 (= A36), T40 (= T37), L61 (= L58), N62 (= N59), V63 (= V60), A90 (= A87), G91 (= G88), I92 (= I89), T93 (= T90), T108 (= T109)

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: 1:243/244 of query aligns to 8:253/254 of 4ag3A

query
sites
4ag3A

M

M

N

S

F

L

E

Q

G

G

K

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

E

L

T

E

L

L

A

G

A

R

R

L

G

G

A

A

K

V

V

V

I

I

G

G

T

T

A
|
A

T
|
T

S

S

E

A

N

S

G

G

A

A

Q

E

A

K

I

I

S

A

D

E

Y

T

L

L

G

K

A

A

N

N

G

G

-

V

-

E

-

G

K

A

G

G

L

L

M

V

L
|
L

N
x
D

V
|
V

T

S

D

S

P

D

A

E

S

S

I

V

E

A

S

A

V

T

L

L

E

E

K

H

I

I

R

Q

A

Q

E

H

F

L

G

G

E

Q

V

P

D

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

M

V

R

R

M

M

K

K

D

D

E

D

E

E

W

W

N

F

D

D

I

V

E

N

T
|
T

N

N

L

L

S

N

S

S

V

L

F

Y

R

R

L

L

S

S

K

K

A

A

V

V

M

L

R

R

A

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

T

N

I
|
I

G
|
G

S
|
S

V

V

G

G

T

A

M

M

G

G

N

N

G

A

G

G

Q

Q

A

T

N

N

Y
|
Y

A

A

K
|
K

A

A

G

G

L

L

I

E

G

G

F

F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

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

E

D

T
|
T

D
|
D

M
|
M

T
|
T

R

R

A

E

L

L

S

P

D

E

D

A

Q

Q

R

R

A

E

G

A

I

L

L

L

A

G

Q

Q

V

I

P

P

A

L

G

G

R

R

L

L

G

G

G

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

D

D

E

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 (= G16), S148 (= S138), Y161 (= Y151), K165 (= K155)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G12), S21 (= S14), R22 (= R15), G23 (= G16), I24 (= I17), A43 (= A36), T44 (= T37), L68 (= L58), D69 (≠ N59), V70 (= V60), N96 (= N86), A97 (= A87), G98 (= G88), I99 (= I89), T119 (= T109), I146 (= I136), G147 (= G137), S148 (= S138), Y161 (= Y151), K165 (= K155), P191 (= P181), G192 (= G182), F193 (= F183), I194 (= I184), T196 (= T186), D197 (= D187), M198 (= M188), T199 (= T189)

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)
63% identity, 100% coverage: 1:243/244 of query aligns to 14:254/255 of 4bo4C

query
sites
4bo4C

M

M

N

S

F

L

E

Q

G

G

K

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

E

L

T

E

L

L

A

G

A

R

R

L

G

G

A

A

K

V

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

A

N

S

G

G

A

A

Q

E

A

K

I

I

S

A

D

E

Y

T

L

L

G

K

A

A

N

N

G

G

-

V

-

E

-

G

K

A

G

G

L

L

M

V

L

L

N

D

V

V

T

S

D

S

P

D

A

E

S

S

I

V

E

A

S

A

V

T

L

L

E

E

K

H

I

I

R

Q

A

Q

E

H

F

L

G

G

E

Q

V

P

D

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

M

V

R

R

M

M

K

K

D

D

E

D

E

E

W
|
W

N
x
F

D

D

I

V

I
x
V

E
x
N

T

T

N

N

L
|
L

S

N

S

S

V

L

F

Y

R

R

L

L

S

S

K

K

A

A

V

V

M

L

R

R

A

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

T

N

I

I

G

G

S
|
S

V

V

G

G

T

-

M

-

G

G

N

N

G

A

G

G

Q

Q

A

T

N

N

Y
|
Y

A

A

K
|
K

A
|
A

G
|
G

L

L

I

E

G
|
G

F
|
F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

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

E

D

T

T

D

D

M

M

T

T

R

R

A

-

L

-

S

-

D

E

D

A

Q

Q

R

R

A

E

G

A

I

L

L

L

A

G

Q

Q

V

I

P

P

A

L

G

G

R

R

L

L

G

G

G

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

D

D

E

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 (= G16), S154 (= S138), Y165 (= Y151), K169 (= K155)
binding N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide: W119 (= W103), F120 (≠ N104), V123 (≠ I107), N124 (≠ E108), L127 (= L111), A170 (= A156), G171 (= G157), G174 (= G160), F175 (= F161)

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)
61% identity, 100% coverage: 1:243/244 of query aligns to 3:240/241 of 4bnzA

query
sites
4bnzA

M

M

N

S

F

L

E

Q

G

G

K

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

E

L

T

E

L

L

A

G

A

R

R

L

G

G

A

A

K

V

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

A

N

S

G

G

A

A

Q

E

A

K

I

I

S

A

D

E

Y

T

L

L

G

K

A

A

N

N

G

G

-

V

-

E

-

G

K

A

G

G

L

L

M

V

L

L

N

D

V

V

T

S

D

S

P

D

A

E

S

S

I

V

E

A

S

A

V

T

L

L

E

E

K

H

I

I

R

Q

A

Q

E

H

F

L

G

G

E

Q

V

P

D

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

N

-

L

-

M

-

R

R

M

M

K

K

D

D

E

D

E

E

W
|
W

N
x
F

D

D

I

V

I
x
V

E
x
N

T

T

N

N

L
|
L

S

N

S

S

V

L

F

Y

R

R

L

L

S

S

K

K

A

A

V

V

M

L

R

R

A

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

T

N

I

I

G

G

S
|
S

V

V

G

G

T

A

M

M

G

G

N

N

G

A

G

G

Q

Q

A

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

L

L

I

E

G
|
G

F
|
F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

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

E

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

S

P

D

E

D

A

Q

Q

R

R

A

E

G

A

I

L

L

L

A

G

Q

Q

V

I

P

P

A

L

G

G

R

R

L

L

G

G

G

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

D

D

E

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 (= G16), S135 (= S138), Y148 (= Y151), K152 (= K155)
binding 1-methyl-N-phenyl-indole-3-carboxamide: W100 (= W103), F101 (≠ N104), V104 (≠ I107), N105 (≠ E108), L108 (= L111), A150 (= A153), G154 (= G157), G157 (= G160), F158 (= F161)

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: 1:243/244 of query aligns to 2:238/239 of 4bnyA

query
sites
4bnyA

M

M

N

S

F

L

E

Q

G

G

K

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

E

L

T

E

L

L

A

G

A

R

R

L

G

G

A

A

K

V

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

A

N

S

G

G

A

A

Q

E

A

K

I

I

S

A

D

E

Y

T

L

L

G

K

A

A

N

N

G

G

-

V

-

E

-

G

K

A

G

G

L

L

M

V

L

L

N

D

V

V

T

S

D

S

P

D

A

E

S

S

I

V

E

A

S

A

V

T

L

L

E

E

K

H

I

I

R

Q

A

Q

E

H

F

L

G

G

E

Q

V

P

D

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

N

-

L

-

M

-

R

R

M

M

K

K

D

D

E

D

E

E

W
|
W

N

F

D

D

I

V

I
x
V

E

N

T

T

N

N

L
|
L

S

N

S

S

V

L

F

Y

R

R

L

L

S

S

K

K

A

A

V

V

M

L

R

R

A

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

T

N

I

I

G

G

S
|
S

V

V

G

G

T

A

M

M

G

G

N

N

G

A

G

G

Q

Q

A

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

L

L

I

E

G
|
G

F
|
F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

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

E

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

S

P

D

E

D

A

Q

Q

R

R

A

E

G

A

I

L

L

L

A

G

Q

Q

V

I

P

P

A

L

G

G

R

R

L

L

G

G

G

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

D

D

E

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 (= G16), S133 (= S138), Y146 (= Y151), K150 (= K155)
binding 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine: W98 (= W103), V102 (≠ I107), L106 (= L111), A148 (= A153), G152 (= G157), G155 (= G160), F156 (= F161)

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, 100% coverage: 1:243/244 of query aligns to 3:239/239 of 4bnxA

query
sites
4bnxA

M

M

N

S

F

L

E

Q

G

G

K

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

E

L

T

E

L

L

A

G

A

R

R

L

G

G

A

A

K

V

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

A

N

S

G

G

A

A

Q

E

A

K

I

I

S

A

D

E

Y

T

L

L

G

K

A

A

N

N

G

G

-

V

-

E

-

G

K

A

G

G

L

L

M

V

L

L

N

D

V

V

T

S

D

S

P

D

A

E

S

S

I

V

E

A

S

A

V

T

L

L

E

E

K

H

I

I

R

Q

A

Q

E

H

F

L

G

G

E

Q

V

P

D

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

N

-

L

-

M

-

R

R

M

M

K

K

D

D

E

D

E

E

W

W

N

F

D

D

I

V

I
x
V

E
x
N

T

T

N

N

L
|
L

S

N

S

S

V

L

F

Y

R

R

L

L

S

S

K

K

A

A

V

V

M

L

R

R

A

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

T

N

I

I

G

G

S
|
S

V

V

G

G

T

A

M

M

G

G

N

N

G

A

G

G

Q

Q

A

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A
|
A

G
|
G

L

L

I

E

G
|
G

F
|
F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

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

E

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

S

P

D

E

D

A

Q

Q

R

R

A

E

G

A

I

L

L

L

A

G

Q

Q

V

I

P

P

A

L

G

G

R

R

L

L

G

G

G

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

D

D

E

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 (= G16), S134 (= S138), Y147 (= Y151), K151 (= K155)
binding 6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one: V103 (≠ I107), N104 (≠ E108), L107 (= L111), A149 (= A153), A152 (= A156), G153 (= G157), G156 (= G160), F157 (= F161)

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: 1:243/244 of query aligns to 3:238/239 of 4bnuA

query
sites
4bnuA

M

M

N

S

F

L

E

Q

G

G

K

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

E

L

T

E

L

L

A

G

A

R

R

L

G

G

A

A

K

V

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

A

N

S

G

G

A

A

Q

E

A

K

I

I

S

A

D

E

Y

T

L

L

G

K

A

A

N

N

G

G

-

V

-

E

-

G

K

A

G

G

L

L

M

V

L

L

N

D

V

V

T

S

D

S

P

D

A

E

S

S

I

V

E

A

S

A

V

T

L

L

E

E

K

H

I

I

R

Q

A

Q

E

H

F

L

G

G

E

Q

V

P

D

L

I

I

L

V

V

V

N

N

A

-

G

-

I

-

T

-

R

-

D

-

N

-

L

-

M

-

R

R

M

M

K

K

D

D

E

D

E

E

W
|
W

N

F

D

D

I

V

I
x
V

E

N

T

T

N

N

L
|
L

S

N

S

S

V

L

F

Y

R

R

L

L

S

S

K

K

A

A

V

V

M

L

R

R

A

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

T

N

I

I

G

G

S
|
S

V

V

G

G

T

A

M

M

G

G

N

N

G

A

G

G

Q

Q

A

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

L

L

I

E

G
|
G

F
|
F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

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

E

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

S

P

D

E

D

A

Q

Q

R

R

A

E

G

A

I

L

L

L

A

G

Q

Q

V

I

P

P

A

L

G

G

R

R

L

L

G

G

G

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

D

D

E

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 (= G16), S133 (= S138), Y146 (= Y151), K150 (= K155)
binding 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline: W98 (= W103), V102 (≠ I107), L106 (= L111), A148 (= A153), G152 (= G157), G155 (= G160), F156 (= F161)

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: 1:243/244 of query aligns to 4:239/240 of 4bntA

query
sites
4bntA

M

M

N

S

F

L

E

Q

G

G

K

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

E

L

T

E

L

L

A

G

A

R

R

L

G

G

A

A

K

V

V

V

I

I

G

G

T

T

A

A

T

T

S

S

E

A

N

S

G

G

A

A

Q

E

A

K

I

I

S

A

D

E

Y

T

L

L

G

K

A

A

N

N

G

G

-

V

-

E

-

G

K

A

G

G

L

L

M

V

L

L

N

D

V

V

T

S

D

S

P

D

A

E

S

S

I

V

E

A

S

A

V

T

L

L

E

E

K

H

I

I

R

Q

A

Q

E

H

F

L

G

G

E

Q

V

P

D

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

N

-

L

-

M

-

R

-

M

M

K

K

D

D

E

D

E

E

W

W

N

F

D

D

I

V

I
x
V

E
x
N

T

T

N

N

L
|
L

S

N

S

S

V

L

F

Y

R

R

L

L

S

S

K

K

A

A

V

V

M

L

R

R

A

G

M

M

M

T

K

K

K

A

R

R

H

W

G

G

R

R

I

I

T

N

I

I

G

G

S
|
S

V

V

G

G

T

A

M

M

G

G

N

N

G

A

G

G

Q

Q

A

T

N

N

Y
|
Y

A

A

K
|
K

A

A

G
|
G

L

L

I

E

G

G

F

F

S

T

K

R

S

A

L

L

A

A

R

R

E

E

V

V

A

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

E

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

S

P

D

E

D

A

Q

Q

R

R

A

E

G

A

I

L

L

L

A

G

Q

Q

V

I

P

P

A

L

G

G

R

R

L

L

G

G

G

Q

A

A

Q

E

E

E

I

I

A

A

N

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

D

D

E

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: G19 (= G16), S134 (= S138), Y147 (= Y151), K151 (= K155)
binding 2-(trifluoromethyl)-1H-benzimidazole: V103 (≠ I107), N104 (≠ E108), L107 (= L111), G153 (= G157)

6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
59% identity, 100% coverage: 1:243/244 of query aligns to 1:243/244 of 6wprA

query
sites
6wprA

M

M

N

T

F

Q

E

E

G

R

K

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

E

Q

T

Q

L

L

A

I

A

Q

R

D

G

G

A

Y

K

F

V

V

I

V

G

G

T

T

A
|
A

T
|
T

S

S

E

E

N

S

G

G

A

A

Q

Q

A

K

I

L

S

T

D

D

Y

S

L

F

G

G

A

E

N

Q

G

G

K

A

G

G

L

L

M

A

L
|
L

N
x
D

V
|
V

T
x
R

D

N

P

L

A

D

S

E

I

I

E

E

S

A

V

V

L

V

E

S

K

H

I

I

R

E

A

Q

E

N

F

Y

G

G

E

P

V

V

D

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

M

L

R

R

M

M

K

S

D

E

E

D

W

W

N

D

D

D

I

I

I

L

E

N

T
x
I

N
x
H

L

L

S

K

S

A

V

V

F

Y

R

R

L

L

S

S

K

K

A

R

V

V

M

L

R

K

A

G

M

M

M

T

K

K

K

A

R

R

H

F

G

G

R

R

I

I

T

N

I
|
I

G
x
S

S
|
S

V

V

G

A

T

H

M

F

G

A

N

N

G

P

G

G

Q

Q

A

A

N

N

Y
|
Y

A

S

A

A

K
|
K

A

A

G

G

L

I

I

E

G

A

F

F

S

S

K

R

S

S

L

L

A

A

R

K

E

E

V

M

A

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

E

A

T
|
T

D

E

M

M

T

T

R

D

A

A

L

L

S

S

D

E

D

D

Q

I

R

R

A

K

G

K

I

M

L

S

A

D

Q

Q

V

V

P

A

A

L

G

N

R

R

L

L

G

G

G

E

A

P

Q

Q

E

D

I

I

A

A

N

N

A

A

V

V

A

S

F

F

L

L

A

A

S

S

D

D

E

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 (= G16), S138 (= S138), Y151 (= Y151)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G12), S14 (= S14), R15 (= R15),