SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing CCNA_01747 FitnessBrowser__Caulo:CCNA_01747 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)
52% identity, 100% coverage: 2:246/246 of query aligns to 1:244/244 of P0AEK2

query
sites
P0AEK2

F

M

D

N

L

F

T

E

G

G

K

K

T

I

A

A

L

L

V

V

T

T

G
|
G

A
|
A

T
x
S

G
x
R

G

G

I

I

G

G

G

R

A

A

I

I

A

A

R

E

A

T

L

L

H

A

A

A

Q

R

G

G

A

A

H

K

V

V

V

I

L

G

S

T

G

A

T
|
T

R

S

E

E

S

N

A

G

L

A

A

Q

E

A

L

I

K

S

A

D

E

Y

L

L

G

G

E

A

R

N

A

G

S

K

T

G

V

L

V

M

A

L

N
|
N

L
x
V

S

T

D

D

A

P

E

A

Q

S

V

I

D

E

G

S

L

V

V

L

A

E

K

K

A

I

E

R

E

A

A

E

A

F

G

G

A

-

P

E

L

V

D

D

I

I

V

L

I

V

A

N

N
|
N

A

A

G

G

V

I

T

T

R

R

D

D

G

N

L

L

I

L

V

M

R

R

M

M

K

K

D

D

E

E

D

E

W

W

D

N

T

D

V

I

I

I

K

E

V

T

N

N

L

L

E

S

G

S

Y

V

F

F

R

R

L

L

S

S

R

K

A

A

A

V

A

M

K

R

G

A

M

M

K

K

R

K

R

R

A

H

G

G

R

R

I

I

G

T

I

I

T

G

S

S

I

V

V

V

G

G

V

T

T

M

G

G

N

N

P

G

G

G

Q

Q

T

A

N

N

Y
|
Y

A
|
A

S
x
A

K
|
K

A

A

G

G

M

L

I

I

G

G

F

F

S

S

K

K

A

S

L

L

A

A

Q

R

E

E

L

V

A

A

S

S

R

R

G

G

V

I

T

T

V

V

N

N

C

V

V

V

A

A

P

P

G

G

F

F

I
|
I

A

E

S

T

P

D

M

M

T

T

D

R

A

A

L

L

N

S

E

D

Q

D

Q

Q

K

R

A

A

G

G

I

I

L

L

S

A

T

Q

I

V

P

P

A

A

G

G

K

R

L

L

G

G

E

G

G

A

A

Q

D

E

I

I

A

A

A

N

A

A

C

V

V

A

Y

F

L

L

A

A

S

S

D

D

Q

E

A

A

G

A

Y

Y

V

I

T

T

G

G

Q
x
E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

A

Y

M

M

I

V

GASR 12:15 (≠ GATG 13:16) binding
T37 (= T38) binding
NV 59:60 (≠ NL 60:61) binding
N86 (= N88) binding
Y151 (= Y153) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YAASK 153:157) binding
A154 (≠ S156) 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 (≠ Q235) 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)
52% identity, 99% coverage: 3:246/246 of query aligns to 1:243/243 of 1q7bA

query
sites
1q7bA

D

N

L

F

T

E

G

G

K

K

T

I

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

I
|
I

G

G

G

R

A

A

I

I

A

A

R

E

A

T

L

L

H

A

A

A

Q

R

G

G

A

A

H

K

V

V

V

I

L

G

S

T

G
x
A

T
|
T

R

S

E

E

S

N

A

G

L

A

A

Q

E

A

L

I

K

S

A

D

E

Y

L

L

G

G

E

A

R

N

A

G

S

K

T

G

V

L

V

M

A
x
L

N
|
N

L
x
V

S

T

D

D

A

P

E

A

Q

S

V

I

D

E

G

S

L

V

V

L

A

E

K

K

A

I

E

R

E

A

A

E

A

F

G

G

A

-

P

E

L

V

D

D

I

I

V

L

I

V

A

N

N
|
N

A
|
A

G
|
G

V
x
I

T

T

R

R

D

D

G

N

L

L

I

L

V

M

R

R

M

M

K

K

D

D

E

E

D
x
E

W

W

D

N

T

D

V

I

I

I

K

E

V
x
T

N

N

L

L

E

S

G

S

Y

V

F

F

R

R

L

L

S

S

R

K

A

A

A

V

A

M

K

R

G

A

M

M

K

K

R

K

R

R

A

H

G

G

R

R

I

I

G

T

I
|
I

T
x
G

S
|
S

I

V

V

V

G

G

V

T

T

M

G

G

N

N

P

G

G

G

Q
|
Q

T

A

N

N

Y
|
Y

A

A

S

A

K
|
K

A

A

G

G

M

L

I

I

G

G

F

F

S

S

K

K

A

S

L

L

A

A

Q

R

E

E

L

V

A

A

S

S

R

R

G

G

V

I

T

T

V

V

N

N

C

V

V

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

A

E

S

T

P

D

M

M

T

T

D

R

A

A

L

L

N

S

E

D

Q

D

Q

Q

K

R

A

A

G

G

I

I

L

L

S

A

T

Q

I

V

P

P

A

A

G

G

K

R

L

L

G

G

E

G

G

A

A

Q

D

E

I

I

A

A

A

N

A

A

C

V

V

A

Y

F

L

L

A

A

S

S

D

D

Q

E

A

A

G

A

Y

Y

V

I

T

T

G

G

Q
x
E

T
|
T

L

L

H

H

V

V

N

N

G

G

M

M

A

Y

M

M

I

V

active site: G15 (= G17), E101 (≠ D104), S137 (= S140), Q147 (= Q150), Y150 (= Y153), K154 (= K157)
binding calcium ion: E232 (≠ Q235), T233 (= T236)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ T15), R14 (≠ G16), I16 (= I18), A35 (≠ G37), T36 (= T38), L57 (≠ A59), N58 (= N60), V59 (≠ L61), N85 (= N88), A86 (= A89), G87 (= G90), I88 (≠ V91), T108 (≠ V111), I135 (= I138), G136 (≠ T139), S137 (= S140), Y150 (= Y153), K154 (= K157), P180 (= P183), G181 (= G184), F182 (= F185), I183 (= I186)

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)
52% identity, 99% coverage: 4:246/246 of query aligns to 3:244/244 of P0A2C9

query
sites
P0A2C9

L

F

T

E

G

G

K

K

T

I

A

A

L

L

V

V

T

T

G

G

A

A

T

S

G

R

G

G

I

I

G

G

G

R

A

A

I

I

A

A

R

E

A

T

L

L

H

V

A

A

Q

R

G

G

A

A

H

K

V

V

V

I

L

G

S

T

G

A

T

T

R

S

E

E

S

N

A

G

L

A

A

K

E

N

L

I

K

S

A

D

E

Y

L

L

G

G

E

A

R

N

A

G

S

K

T

G

V

L

V

M

A

L

N

N

L

V

S

T

D

D

A

P

E

A

Q

S

V

I

D

E

G

S

L

V

V

L

A

E

K

N

A

I

E

R

E

A

A

E

A

F

G

G

A

-

P

E

L

V

D

D

I

I

V

L

I

V

A

N

N

N

A

A

G

G

V

I

T

T

R

R

D

D

G

N

L

L

I

L

V

M

R

R

M

M

K

K

D

D

E

D

D

E

W

W

D

N

T

D

V

I

I

I

K

E

V

T

N

N

L

L

E

S

G

S

Y

V

F

F

R

R

L

L

S

S

R

K

A

A

A

V

A

M

K

R

G

A

M
|
M

M

M

K

K

R

K

R

R

A

C

G

G

R

R

I

I

G

T

I

I

T

G

S

S

I

V

V

V

G

G

V

T

T

M

G

G

N

N

P

A

G

G

Q

Q

T

A

N

N

Y

Y

A

A

S

A

K

K

A

A

G

G

M

L

I

I

G

G

F

F

S

S

K

K

A

S

L

L

A

A

Q

R

E

E

L

V

A

A

S

S

R

R

G

G

V

I

T

T

V

V

N

N

C

V

V

V

A

A

P

P

G

G

F

F

I

I

A

E

S

T

P

D

M

M

T

T

D

R

A

A

L

L

N

S

E

D

Q

D

Q

Q

K

R

A

A

G

G

I

I

L

L

S

A

T

Q

I

V

P

P

A

A

G

G

K

R

L

L

G

G

E

G

G

A

A

Q

D

E

I

I

A

A

A

S

A

A

C

V

V

A

Y

F

L

L

A
|
A

S
|
S

D

D

Q

E

A

A

G

S

Y

Y

V

I

T

T

G

G

Q

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

A

Y

M

M

I

V

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.

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
52% identity, 99% coverage: 3:246/246 of query aligns to 1:243/243 of 1q7cA

query
sites
1q7cA

D

N

L

F

T

E

G

G

K

K

T

I

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

I

I

G

G

G

R

A

A

I

I

A

A

R

E

A

T

L

L

H

A

A

A

Q

R

G

G

A

A

H

K

V

V

V

I

L

G

S

T

G
x
A

T
|
T

R

S

E

E

S

N

A

G

L

A

A

Q

E

A

L

I

K

S

A

D

E

Y

L

L

G

G

E

A

R

N

A

G

S

K

T

G

V

L

V

M

A
x
L

N
|
N

L
x
V

S

T

D

D

A

P

E

A

Q

S

V

I

D

E

G

S

L

V

V

L

A

E

K

K

A

I

E

R

E

A

A

E

A

F

G

G

A

-

P

E

L

V

D

D

I

I

V

L

I

V

A

N

N

N

A
|
A

G
|
G

V
x
I

T

T

R

R

D

D

G

N

L

L

I

L

V

M

R

R

M

M

K

K

D

D

E

E

D

E

W

W

D

N

T

D

V

I

I

I

K

E

V
x
T

N

N

L

L

E

S

G

S

Y

V

F

F

R

R

L

L

S

S

R

K

A

A

A

V

A

M

K

R

G

A

M

M

K

K

R

K

R

R

A

H

G

G

R

R

I

I

G

T

I

I

T

G

S
|
S

I

V

V

V

G

G

V

T

T

M

G

G

N

N

P

G

G

G

Q
|
Q

T

A

N

N

Y
x
F

A

A

S

A

K
|
K

A

A

G

G

M

L

I

I

G

G

F

F

S

S

K

K

A

S

L

L

A

A

Q

R

E

E

L

V

A

A

S

S

R

R

G

G

V

I

T

T

V

V

N

N

C

V

V

V

A

A

P

P

G

G

F

F

I

I

A

E

S

T

P

D

M

M

T

T

D

R

A

A

L

L

N

S

E

D

Q

D

Q

Q

K

R

A

A

G

G

I

I

L

L

S

A

T

Q

I

V

P

P

A

A

G

G

K

R

L

L

G

G

E

G

G

A

A

Q

D

E

I

I

A

A

A

N

A

A

C

V

V

A

Y

F

L

L

A

A

S

S

D

D

Q

E

A

A

G

A

Y

Y

V

I

T

T

G

G

Q

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

A

Y

M

M

I

V

active site: G15 (= G17), S137 (= S140), Q147 (= Q150), F150 (≠ Y153), K154 (= K157)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ T15), R14 (≠ G16), A35 (≠ G37), T36 (= T38), L57 (≠ A59), N58 (= N60), V59 (≠ L61), A86 (= A89), G87 (= G90), I88 (≠ V91), T108 (≠ V111)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
52% identity, 99% coverage: 4:246/246 of query aligns to 2:243/243 of 7emgB

query
sites
7emgB

L

F

T

E

G

G

K

K

T

I

A

V

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G

G

I

I

G

G

G

R

A

A

I

I

A

A

R

E

A

T

L

F

H

V

A

A

Q

R

G

G

A

A

H

K

V

V

V

I

L

G

S

T

G
x
A

T
|
T

R

S

E

E

S

S

A

G

L

A

A

E

E

A

L

I

K

S

A

G

E

Y

L

L

G

G

E

A

R

N

A

G

S

K

T

G

V

F

V

M

A
x
L

N
|
N

L
x
V

S
x
K

D

D

A

A

E

Q

Q

S

V

I

D

D

G

S

L

V

V

L

A

A

K

S

A

I

E

R

E

A

A

E

A

F

G

G

A

-

P

E

L

I

D

D

I

I

V

L

I

V

A

N

N

N

A
|
A

G
|
G

V
x
I

T

T

R

R

D

D

G

N

L

L

I

L

V

M

R

R

M

M

K

K

D

D

E

D

D

E

W

W

D

E

T

D

V

I

I

L

K

D

V
x
T

N

N

L

L

E

T

G

S

Y

V

F

F

R

R

L

L

S

S

R

K

A

A

A

V

A

M

K

C

G

A

M

M

K

K

R

K

R

R

A

F

G

G

R

R

I

I

G

T

I

I

T

G

S

S

I

V

V

V

G

G

V

T

T

M

G

G

N

N

P

A

G

G

Q

Q

T

A

N

N

Y

Y

A

A

S

A

K

K

A

A

G

G

M

L

I

I

G

G

F

F

S

S

K

K

A

S

L

L

A

A

Q

R

E

E

L

V

A

A

S

S

R

R

G

G

V

I

T

T

V

V

N

N

C

V

V

V

A

A

P

P

G

G

F

Y

I

I

A

E

S

T

P

D

M
|
M

T

T

D

R

A

A

L

L

N

T

E

D

Q

D

Q

Q

K

R

A

A

G

G

I

I

L

L

S

S

T

S

I

V

P

P

A

A

G

N

K

R

L

P

G

G

E

D

G

A

A

K

D

E

I

I

A

A

A

S

A

A

C

V

V

A

Y

F

L

L

A

A

S

S

D

D

Q

E

A

A

G

G

Y

Y

V

I

T

T

G

G

Q

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

A

Y

M

M

I

I

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ T15), R14 (≠ G16), A35 (≠ G37), T36 (= T38), L57 (≠ A59), N58 (= N60), V59 (≠ L61), K60 (≠ S62), A86 (= A89), G87 (= G90), I88 (≠ V91), T108 (≠ V111), M187 (= M190)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
51% identity, 100% coverage: 2:246/246 of query aligns to 1:244/244 of 6t77A

query
sites
6t77A

F

M

D

S

L

F

T

E

G

G

K

K

T

I

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

I

I

G

G

G

R

A

A

I

I

A

A

R

E

A

T

L

L

H

V

A

A

Q

R

G

G

A

A

H

K

V

V

V

I

L

G

S

T

G
x
A

T
|
T

R

S

E

E

S

S

A

G

L

A

A

Q

E

A

L

I

K

S

A

D

E

Y

L

L

G

G

E

A

R

N

A

G

S

K

T

G

V

L

V

M

A
x
L

N
|
N

L
x
V

S

T

D

D

A

P

E

A

Q

S

V

I

D

E

G

S

L

V

V

L

A

E

K

N

A

V

E

R

E

A

A

E

A

F

G

G

A

-

P

E

L

V

D

D

I

I

V

L

I

V

A

N

N

N

A
|
A

G
|
G

V
x
I

T

T

R

R

D

D

G

N

L

L

I

L

V

M

R

R

M

M

K

K

D

D

E

D

D

E

W

W

D

N

T

D

V

I

I

I

K

E

V
x
T

N

N

L

L

E

S

G

S

Y

V

F

F

R

R

L

L

S

S

R

K

A

A

A

V

A

M

K

R

G

A

M

M

K

K

R

K

R

R

A

H

G

G

R

R

I

I

G

T

I

I

T

G

S
|
S

I

V

V

V

G

G

V

T

T

M

G

G

N

N

P

A

G

G

Q

Q

T

A

N

N

Y
|
Y

A

A

S

A

K

K

A

A

G

G

M

L

I

I

G

G

F

F

S

S

K

K

A

S

L

L

A

A

Q

R

E

E

L

V

A

A

S

S

R

R

G

G

V

I

T

T

V

V

N

N

C

V

V

V

A

A

P

P

G

G

F

F

I

I

A

E

S

T

P

D

M

M

T

T

D

R

A

A

L

L

N

T

E

D

Q

E

Q

Q

K

R

A

A

G

G

I

T

L

L

S

A

T

A

I

V

P

P

A

A

G

G

K

R

L

L

G

G

E

T

G

P

A

N

D

E

I

I

A

A

A

S

A

A

C

V

V

A

Y

F

L

L

A

A

S

S

D

D

Q

E

A

A

G

S

Y

Y

V

I

T

T

G

G

Q

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

A

Y

M

M

I

V

active site: G16 (= G17), S138 (= S140), Y151 (= Y153)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ T15), R15 (≠ G16), A36 (≠ G37), T37 (= T38), L58 (≠ A59), N59 (= N60), V60 (≠ L61), A87 (= A89), G88 (= G90), I89 (≠ V91), T109 (≠ V111)

3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
50% identity, 100% coverage: 1:246/246 of query aligns to 3:247/247 of 3op4A

query
sites
3op4A

M

F

F

M

D

N

L

L

T

E

G

G

K

K

T

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

I
|
I

G

G

G

K

A

A

I

I

A

A

R

E

A

L

L

L

H

A

A

E

Q

R

G

G

A

A

H

K

V

V

V

I

L

G

S

T

G
x
A

T
|
T

R

S

E

E

S

S

A

G

L

A

A

Q

E

A

L

I

K

S

A

D

E

Y

L

L

G

G

E

D

R

N

A

G

S

K

T

G

V

M

V

A

A
x
L

N
|
N

L
x
V

S

T

D

N

A

P

E

E

Q

S

V

I

D

E

G

A

L

V

V

L

A

K

K

A

A

I

E

T

E

D

A

E

A

F

G

G

A

G

P

-

L

V

D

D

I

I

V

L

I

V

A

N

N
|
N

A
|
A

G
|
G

V
x
I

T

T

R

R

D

D

G

N

L

L

I

L

V

M

R

R

M

M

K

K

D

E

E

E

D

E

W

W

D

S

T

D

V

I

I

M

K

E

V
x
T

N

N

L

L

E

T

G

S

Y

I

F

F

R

R

L

L

S

S

R

K

A

A

A

V

A

L

K

R

G

G

M

M

K

K

R

K

R

R

A

Q

G

G

R

R

I

I

G

N

I
x
V

T
x
G

S
|
S

I

V

V

V

G

G

V

T

T

M

G

G

N

N

P

A

G

G

Q

Q

T

A

N

N

Y
|
Y

A

A

S

A

K
|
K

A

A

G

G

M

V

I

I

G

G

F

F

S

T

K

K

A

S

L

M

A

A

Q

R

E

E

L

V

A

A

S

S

R

R

G

G

V

V

T

T

V

V

N

N

C

T

V

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

A

E

S
x
T

P
x
D

M
|
M

T

T

D

K

A

A

L

L

N

N

E

D

Q

E

Q

Q

K

R

A

T

G

A

I

T

L

L

S

A

T

Q

I

V

P

P

A

A

G

G

K

R

L

L

G

G

E

D

G

P

A

R

D

E

I

I

A

A

A

S

A

A

C

V

V

A

Y

F

L

L

A

A

S

S

D

P

Q

E

A

A

G

A

Y

Y

V

I

T

T

G

G

Q

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

A

Y

M

M

I

I

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ T15), R18 (≠ G16), G19 (= G17), I20 (= I18), A39 (≠ G37), T40 (= T38), L61 (≠ A59), N62 (= N60), V63 (≠ L61), N89 (= N88), A90 (= A89), G91 (= G90), I92 (≠ V91), T112 (≠ V111), V139 (≠ I138), G140 (≠ T139), S141 (= S140), Y154 (= Y153), K158 (= K157), P184 (= P183), G185 (= G184), F186 (= F185), I187 (= I186), T189 (≠ S188), D190 (≠ P189), M191 (= M190)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
49% identity, 100% coverage: 1:246/246 of query aligns to 3:243/243 of 4i08A

query
sites
4i08A

M

F

F

M

D

N

L

L

T

E

G

G

K

K

T

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

I
|
I

G

G

G

K

A

A

I

I

A

A

R

E

A

L

L

L

H

A

A

E

Q

R

G

G

A

A

H

K

V

V

V

I

L

G

S

T

G
x
A

T
|
T

R

S

E

E

S

S

A

G

L

A

A

Q

E

A

L

I

K

S

A

D

E

Y

L

L

G

G

E

D

R

N

A

G

S

K

T

G

V

M

V

A

A
x
L

N
|
N

L
x
V

S

T

D

N

A

P

E

E

Q

S

V

I

D

E

G

A

L

V

V

L

A

K

K

A

A

I

E

T

E

D

A

E

A

F

G

G

A

G

P

-

L

V

D

D

I

I

V

L

I

V

A

N

N
|
N

A
|
A

G
|
G

V
x
I

T

T

R

R

D

D

G

N

L

L

I

L

V

M

R

R

M

M

K

K

D

E

E

E

D

E

W

W

D

S

T

D

V

I

I

M

K

E

V
x
T

N
|
N

L

L

E

T

G

S

Y

I

F

F

R

R

L

L

S

S

R

K

A

A

A

V

A

L

K

R

G

G

M

M

K

K

R

K

R

R

A

Q

G

G

R

R

I

I

G

N

I
x
V

T
x
G

S
|
S

I

V

V

V

G

G

V

T

T

M

G

G

N

N

P

A

G

G

Q
|
Q

T

A

N

N

Y
|
Y

A

A

S

A

K
|
K

A

A

G

G

M

V

I

I

G

G

F

F

S

T

K

K

A

S

L

M

A

A

Q

R

E

E

L

V

A

A

S

S

R

R

G

G

V

V

T

T

V

V

N

N

C

T

V

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

A

E

S
x
T

P

D

M

M

T

-

D

-

A

-

L

-

N

N

E

D

Q

E

Q

Q

K

R

A

T

G

A

I

T

L

L

S

A

T

Q

I

V

P

P

A

A

G

G

K

R

L

L

G

G

E

D

G

P

A

R

D

E

I

I

A

A

A

S

A

A

C

V

V

A

Y

F

L

L

A

A

S

S

D

P

Q

E

A

A

G

A

Y

Y

V

I

T

T

G

G

Q

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

A

Y

M

M

I

I

active site: G19 (= G17), N113 (= N112), S141 (= S140), Q151 (= Q150), Y154 (= Y153), K158 (= K157)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ T15), R18 (≠ G16), G19 (= G17), I20 (= I18), A39 (≠ G37), T40 (= T38), L61 (≠ A59), N62 (= N60), V63 (≠ L61), N89 (= N88), A90 (= A89), G91 (= G90), I92 (≠ V91), T112 (≠ V111), V139 (≠ I138), G140 (≠ T139), S141 (= S140), Y154 (= Y153), K158 (= K157), P184 (= P183), G185 (= G184), F186 (= F185), I187 (= I186), T189 (≠ S188)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
49% identity, 97% coverage: 7:245/246 of query aligns to 5:246/246 of 3osuA

query
sites
3osuA

K

K

T

S

A

A

L

L

V

V

T

T

G

G

A

A

T

S

G

R

G
|
G

I

I

G

G

G

R

A

S

I

I

A

A

R

L

A

Q

L

L

H

A

A

E

Q

E

G

G

A

Y

H

N

V

V

V

A

L

V

S

N

-

Y

-

A

G

G

T

S

R

K

E

E

S

K

A

A

L

E

A

A

-

V

-

E

E

E

L

I

K

K

A

A

E

K

L

-

G

G

E

V

R

D

A

S

S

F

T

A

V

I

V

Q

A

A

N

N

L

V

S

A

D

D

A

A

E

D

Q

E

V

V

D

K

G

A

L

M

V

I

A

K

K

E

A

V

E

V

E

S

A

Q

A

F

G

G

A

S

P

-

L

L

D

D

I

V

V

L

I

V

A

N

N
|
N

A

A

G

G

V

I

T

T

R

R

D

D

G

N

L

L

I

L

V

M

R

R

M

M

K

K

D

E

E

Q

D

E

W

W

D

D

T

D

V

V

I

I

K

D

V

T

N

N

L

L

E

K

G

G

Y

V

F

F

R

N

L

C

S

I

R

Q

A

K

A

A

A

T

K

P

G

Q

M

M

M

L

K

R

R

Q

R

R

A

S

G

G

R

A

I

I

G

N

I

L

T

S

S
|
S

I

V

V

V

G

G

V

A

T

V

G

G

N

N

P

P

G

G

Q
|
Q

T

A

N

N

Y
|
Y

A

V

A

A

S

T

K
|
K

A

A

G

G

M

V

I

I

G

G

F

L

S

T

K

K

A

S

L

A

A

A

Q

R

E

E

L

L

A

A

S

S

R

R

G

G

V

I

T

T

V

V

N

N

C

A

V

V

A

A

P

P

G

G

F

F

I

I

A

V

S

S

P

D

M

M

T

T

D

D

A

A

L

L

N

S

E

D

Q

E

Q

L

K

K

A

E

G

Q

I

M

L

L

S

T

T

Q

I

I

P

P

A

L

G

A

K

R

L

F

G

G

E

Q

G

D

A

T

D

D

I

I

A

A

A

N

A

T

C

V

V

A

Y

F

L

L

A

A

S

S

D

D

Q

K

A

A

G

K

Y

Y

V

I

T

T

G

G

Q

Q

T

T

L

I

H

H

V

V

N

N

G

G

M

M

A

Y

M

M

active site: G15 (= G17), S141 (= S140), Q151 (= Q150), Y154 (= Y153), K158 (= K157)
binding magnesium ion: N89 (= N88), K158 (= K157)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
50% identity, 98% coverage: 4:245/246 of query aligns to 3:247/247 of 4jroC

query
sites
4jroC

L

L

T

Q

G

G

K

K

T

V

A

A

L

V

V

V

T

T

G
|
G

A

G

T
x
S

G
x
R

G
|
G

I
|
I

G

G

G

R

A

D

I

I

A

A

R

I

A

N

L

L

H

A

A

K

Q

E

G

G

A

A

H

N

V

I

V

F

L

F

S
x
N

-
x
Y

-
x
N

G
|
G

T
x
S

R

P

E

E

S

A

A

A

-

E

L

T

A

A

E

K

L

L

K

V

A

A

E

E

L

H

G

G

E

V

R

E

A

V

S

E

T

A

V

M

V

K

A
|
A

N
|
N

L
x
V

S

A

D

I

A

A

E

E

Q

D

V

V

D

D

G

A

L

F

V

F

A

K

K

Q

A

A

E

I

E

E

A

R

A

F

G

G

A

-

P

R

L

V

D

D

I

I

V

L

I

V

A

N

N
|
N

A
|
A

G
|
G

V
x
I

T

T

R

R

D

D

G

N

L

L

I

L

V

M

R

R

M

M

K

K

D

E

E

D

D

E

W

W

D

D

T

D

V

V

I

I

K

N

V
x
I

N

N

L

L

E

K

G

G

Y

T

F

F

R

L

L

C

S

T

R

K

A

A

A

V

A

S

K

R

G

T

M

M

K

K

R

Q

R

R

A

A

G

G

R

K

I

I

G

N

I

M

T
x
A

S
|
S

I

V

V

V

G

G

V

L

T

I

G

G

N

N

P

A

G

G

Q
|
Q

T

A

N

N

Y
|
Y

A

V

A

A

S

S

K
|
K

A

A

G

G

M

V

I

I

G

G

F

L

S

T

K

K

A

T

L

T

A

A

Q

R

E

E

L

L

A

A

S

P

R

R

G

G

V

I

T

N

V

V

N

N

C

A

V

V

A

A

P
|
P

G
|
G

F

F

I
|
I

A

T

S
x
T

P

D

M

M

T

T

D

D

A

K

L

L

N

D

E

E

Q

K

Q

T

K

K

A

E

G

A

I

M

L

L

S

A

T

Q

I

I

P

P

A

L

G

G

K

A

L

Y

G

G

E

T

G

T

A

E

D

D

I

I

A

A

A

N

A

A

C

V

V

L

Y

F

L

L

A

A

S

S

D

D

Q

A

A

S

G

K

Y

Y

V

I

T

T

G

G

Q

Q

T

T

L

L

H

S

V

V

N

D

G

G

M

M

A

V

M

M

active site: G16 (= G17), S142 (= S140), Q152 (= Q150), Y155 (= Y153), K159 (= K157)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ T15), R15 (≠ G16), G16 (= G17), I17 (= I18), N35 (≠ S36), Y36 (vs. gap), N37 (vs. gap), G38 (= G37), S39 (≠ T38), A62 (= A59), N63 (= N60), V64 (≠ L61), N90 (= N88), A91 (= A89), G92 (= G90), I93 (≠ V91), I113 (≠ V111), A141 (≠ T139), S142 (= S140), Y155 (= Y153), K159 (= K157), P185 (= P183), G186 (= G184), I188 (= I186), T190 (≠ S188)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
49% identity, 97% coverage: 7:245/246 of query aligns to 2:239/239 of 3sj7A

query
sites
3sj7A

K

K

T

S

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

I
|
I

G

G

G

R

A

S

I

I

A

A

R

L

A

Q

L

L

H

A

A

E

Q

E

G

G

A

Y

H

N

V

V

V

A

L

V

S
x
N

-
x
Y

-
x
A

G
|
G

T
x
S

R

K

E

E

S

K

A

A

L

E

A

A

-

V

-

E

E

E

L

I

K

K

A

A

E

K

L

-

G

G

E

V

R

D

A

S

S

F

T

A

V

I

V

Q

A
|
A

N
|
N

L
x
V

S

A

D

D

A

A

E

D

Q

E

V

V

D

K

G

A

L

M

V

I

A

K

K

E

A

V

E

V

E

S

A

Q

A

F

G

G

A

S

P

-

L

L

D

D

I

V

V

L

I

V

A

N

N
|
N

A
|
A

G
|
G

V
x
I

T

T

R

R

D

D

G

N

L

L

I

L

V

M

R

R

M

M

K

K

D

E

E

Q

D

E

W

W

D

D

T

D

V

V

I

I

K

D

V
x
T

N

N

L

L

E

K

G

G

Y

V

F

F

R

N

L

C

S

I

R

Q

A

K

A

A

A

T

K

P

G

Q

M

M

M

L

K

R

R

Q

R

R

A

S

G

G

R

A

I

I

G

N

I
x
L

T
x
S

S
|
S

I

V

V

V

G

G

V

A

T

V

G

G

N

N

P

P

G

G

Q
|
Q

T

A

N

N

Y
|
Y

A

V

A

A

S

T

K
|
K

A

A

G

G

M

V

I

I

G

G

F

L

S

T

K

K

A

S

L

A

A

A

Q

R

E

E

L

L

A

A

S

S

R

R

G

G

V

I

T

T

V

V

N

N

C

A

V

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

A

V

S

S

P

D

M

M

T

T

D

D

A

E

L

L

N

K

E

E

Q

Q

Q

-

K

-

A

-

G

-

I

M

L

L

S

T

T

Q

I

I

P

P

A

L

G

A

K

R

L

F

G

G

E

Q

G

D

A

T

D

D

I

I

A

A

A

N

A

T

C

V

V

A

Y

F

L

L

A

A

S

S

D

D

Q

K

A

A

G

K

Y

Y

V

I

T

T

G

G

Q

Q

T

T

L

I

H

H

V

V

N

N

G

G

M

M

A

Y

M

M

active site: G12 (= G17), S138 (= S140), Q148 (= Q150), Y151 (= Y153), K155 (= K157)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G13), S10 (≠ T15), R11 (≠ G16), G12 (= G17), I13 (= I18), N31 (≠ S36), Y32 (vs. gap), A33 (vs. gap), G34 (= G37), S35 (≠ T38), A58 (= A59), N59 (= N60), V60 (≠ L61), N86 (= N88), A87 (= A89), G88 (= G90), I89 (≠ V91), T109 (≠ V111), L136 (≠ I138), S137 (≠ T139), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), F183 (= F185), I184 (= I186)

6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
46% identity, 97% coverage: 7:245/246 of query aligns to 6:243/244 of 6wprA

query
sites
6wprA

K

K

T

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

I
|
I

G

G

G

A

A

A

I

I

A

A

R

Q

A

Q

L

L

H

I

A

Q

Q

D

G

G

A

Y

H

F

V

V

L

G

S

T

G
x
A

T
|
T

R

S

E

E

S

S

A

G

L

A

A

Q

E

K

L

L

K

T

A

D

E

S

L

F

G

G

E

E

R

Q

A

G

S

A

T

G

V

L

V

A

A
x
L

N
x
D

L
x
V

S
x
R

D

N

A

L

E

D

Q

E

V

I

D

E

G

A

L

V

V

V

A

S

K

H

A

I

E

E

E

Q

A

N

A

Y

G

G

A

-

P

P

L

V

D

L

I

V

V

L

I

V

A

N

N
|
N

A
|
A

G
|
G

V
x
I

T

T

R

K

D

D

G

N

L

L

I

L

V

L

R

R

M

M

K

S

D

E

E

D

D

D

W

W

D

D

T

D

V

I

I

L

K

N

V
x
I

N
x
H

L

L

E

K

G

A

Y

V

F

Y

R

R

L

L

S

S

R

K

A

R

A

V

A

L

K

K

G

G

M

M

M

T

K

K

R

A

R

R

A

F

G

G

R

R

I

I

G

N

I
|
I

T
x
S

S
|
S

I

V

V

V

G

A

V

H

T

F

G

A

N

N

P

P

G

G

Q

Q

T

A

N

N

Y
|
Y

A

S

A

A

S

A

K
|
K

A

A

G

G

M

I

I

E

G

A

F

F

S

S

K

R

A

S

L

L

A

A

Q

K

E

E

L

M

A

G

S

S

R

R

G

Q

V

I

T

T

V

V

N

N

C

S

V

V

A

A

P
|
P

G
|
G

F

F

I
|
I

A

A

S
x
T

P

E

M

M

T

T

D

D

A

A

L

L

N

S

E

E

Q

D

Q

I

K

R

A

K

G

K

I

M

L

S

S

D

T

Q

I

V

P

A

A

L

G

N

K

R

L

L

G

G

E

E

G

P

A

Q

D

D

I

I

A

A

A

N

A

A

C

V

V

S

Y

F

L

L

A

A

S

S

D

D

Q

K

A

A

G

G

Y

Y

V

I

T

T

G

G

Q

T

T

V

L

L

H

H

V

V

N

N

G

G

M

L

A

Y

M

M

active site: G16 (= G17), S138 (= S140), Y151 (= Y153)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ T15), R15 (≠ G16), I17 (= I18), A36 (≠ G37), T37 (= T38), L58 (≠ A59), D59 (≠ N60), V60 (≠ L61), R61 (≠ S62), N86 (= N88), A87 (= A89), G88 (= G90), I89 (≠ V91), I109 (≠ V111), H110 (≠ N112), I136 (= I138), S137 (≠ T139), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), I184 (= I186), T186 (≠ S188)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
46% identity, 97% coverage: 7:245/246 of query aligns to 6:243/244 of 6t62A

query
sites
6t62A

K

K

T

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

I
|
I

G

G

G

A

A

A

I

I

A

A

R

Q

A

Q

L

L

H

I

A

Q

Q

D

G

G

A

Y

H

F

V

V

L

G

S

T

G
x
A

T
|
T

R

S

E

E

S

S

A

G

L

A

A

Q

E

K

L

L

K

T

A

D

E

S

L

F

G

G

E

E

R

Q

A

G

S

A

T

G

V

L

V

A

A
x
L

N
x
D

L
x
V

S
x
R

D

N

A

L

E

D

Q

E

V

I

D

E

G

A

L

V

V

V

A

S

K

H

A

I

E

E

E

Q

A

N

A

Y

G

G

A

-

P

P

L

V

D

L

I

V

V

L

I

V

A

N

N
|
N

A
|
A

G
|
G

V
x
I

T

T

R

K

D

D

G

N

L

L

I

L

V

L

R

R

M

M

K

S

D

E

E

D

D

D

W

W

D

D

T

D

V

I

I

L

K

N

V
x
I

N
x
H

L

L

E

K

G

A

Y

V

F

Y

R

R

L

L

S

S

R

K

A

R

A

V

A

L

K

K

G

G

M

M

M

T

K

K

R

A

R

R

A

F

G

G

R

R

I

I

G

N

I
|
I

T
x
S

S
|
S

I

V

V

V

G

A

V

H

T

F

G

A

N

N

P

P

G

G

Q

Q

T

A

N

N

Y
|
Y

A

S

A

A

S

A

K
|
K

A

A

G

G

M

I

I

E

G

A

F

F

S

S

K

R

A

S

L

L

A

A

Q

K

E

E

L

M

A

G

S

S

R

R

G

Q

V

I

T

T

V

V

N

N

C

S

V

V

A

A

P
|
P

G
|
G

F

F

I
|
I

A

A

S
x
T

P

E

M
|
M

T

T

D

D

A

A

L

L

N

S

E

E

Q

D

Q

I

K

R

A

K

G

K

I

M

L

S

S

D

T

Q

I

V

P

A

A

L

G

N

K

R

L

L

G

G

E

E

G

P

A

Q

D

D

I

I

A

A

A

N

A

A

C

V

V

S

Y

F

L

L

A

A

S

S

D

D

Q

K

A

A

G

G

Y

Y

V

I

T

T

G

G

Q

T

T

V

L

L

H

H

V

V

N

N

G

G

M

L

A

Y

M

M

active site: G16 (= G17), S138 (= S140), Y151 (= Y153)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ T15), R15 (≠ G16), I17 (= I18), A36 (≠ G37), T37 (= T38), L58 (≠ A59), D59 (≠ N60), V60 (≠ L61), R61 (≠ S62), N86 (= N88), A87 (= A89), G88 (= G90), I89 (≠ V91), I109 (≠ V111), H110 (≠ N112), I136 (= I138), S137 (≠ T139), S138 (= S140), Y151 (= Y153), K155 (= K157), P181 (= P183), G182 (= G184), I184 (= I186), T186 (≠ S188), M188 (= M190)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
50% identity, 99% coverage: 2:245/246 of query aligns to 8:253/254 of 4ag3A

query
sites
4ag3A

F

M

D

S

L

L

T

Q

G

G

K

K

T

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

I
|
I

G

G

G

Q

A

A

I

I

A

A

R

L

A

E

L

L

H

G

A

R

Q

L

G

G

A

A

H

V

V

V

V

I

L

G

S

T

G
x
A

T
|
T

R

S

E

A

S

S

A

G

-

A

-

E

-

K

L

I

A

A

E

E

L

T

K

L

A

K

E

A

L

N

G

G

E

V

R

E

A

G

S

A

T

G

V

L

V

V

A
x
L

N
x
D

L
x
V

S

S

D

S

A

D

E

E

Q

S

V

V

D

A

G

A

L

T

V

L

A

E

K

H

A

I

E

Q

A

H

A

L

G

G

A

Q

P

P

L

L

D

-

I

I

V

V

I

V

A

N

N
|
N

A
|
A

G
|
G

V
x
I

T

T

R

R

D

D

G

N

L

L

I

L

V

V

R

R

M

M

K

K

D

D

E

D

D

E

W

W

D

F

T

D

V

V

I

V

K

N

V
x
T

N

N

L

L

E

N

G

S

Y

L

F

Y

R

R

L

L

S

S

R

K

A

A

A

V

A

L

K

R

G

G

M

M

M

T

K

K

R

A

R

R

A

W

G

G

R

R

I

I

G

N

I
|
I

T
x
G

S
|
S

I

V

V

V

G

G

V

A

T

M

G

G

N

N

P

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

S

A

K
|
K

A

A

G

G

M

L

I

E

G

G

F

F

S

T

K

R

A

A

L

L

A

A

Q

R

E

E

L

V

A

G

S

S

R

R

G

A

V

I

T

T

V

V

N

N

C

A

V

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

A

D

S
x
T

P
x
D

M
|
M

T
|
T

D

R

A

E

L

L

N

P

E

E

Q

A

Q

Q

K

R

A

E

G

A

I

L

L

L

S

G

T

Q

I

I

P

P

A

L

G

G

K

R

L

L

G

G

E

Q

G

A

A

E

D

E

I

I

A

A

A

K

A

V

C

V

V

G

Y

F

L

L

A

A

S

S

D

D

Q

G

A

A

G

A

Y

Y

V

V

T

T

G

G

Q

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

A

Y

M

M

active site: G23 (= G17), S148 (= S140), Y161 (= Y153), K165 (= K157)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G13), S21 (≠ T15), R22 (≠ G16), G23 (= G17), I24 (= I18), A43 (≠ G37), T44 (= T38), L68 (≠ A59), D69 (≠ N60), V70 (≠ L61), N96 (= N88), A97 (= A89), G98 (= G90), I99 (≠ V91), T119 (≠ V111), I146 (= I138), G147 (≠ T139), S148 (= S140), Y161 (= Y153), K165 (= K157), P191 (= P183), G192 (= G184), F193 (= F185), I194 (= I186), T196 (≠ S188), D197 (≠ P189), M198 (= M190), T199 (= T191)

P73574 3-oxoacyl-[acyl-carrier-protein] reductase; 3-ketoacyl-acyl carrier protein reductase; EC 1.1.1.100 from Synechocystis sp. (strain PCC 6803 / Kazusa) (see paper)
49% identity, 100% coverage: 1:246/246 of query aligns to 1:247/247 of P73574

query
sites
P73574

M

M

F

T

D

A

L

L

T

T

G

A

K

Q

T

V

A

A

L

L

V

V

T

T

G

G

A
|
A

T

S

G

R

G

G

I

I

G

G

G

K

A

A

I

T

A

A

R

L

A

A

L

L

H

A

A

A

Q

T

G

G

A

M

H

K

V

V

L

V

S

N

G

Y

T

A

R

Q

E

S

S

S

A

T

-

A

-

D

-

A

-

V

L

V

A

A

E

E

L

I

K

I

A

A

E

N

L

G

G

G

E

E

R

-

A

A

S

I

T

A

V

V

V

Q

A

A

N

N

L

V

S

A

D

N

A

A

E

D

Q

E

V

V

D

D

G

Q

L

L

V

I

A

-

K

K

A

T

E

T

E

L

A

D

A

K

G

F

A

S

P

R

L

I

D

D

I

V

V

L

I

V

A

N

N

N

A

A

G

G

V

I

T

T

R

R

D

D

G

T

L

L

I

L

V

L

R

R

M

M

K

K

D

L

E

E

D

D

W

W

D

Q

T

A

V

V

I

I

K

D

V

L

N

N

L

L

E

T

G

G

Y

V

F

F

R

L

L

C

S

T

R

K

A

A

A

V

A

S

K

K

G

L

M

M

M

L

K

K

R

Q

R

K

A

S

G

G

R

R

I

I

G

N

I

I

T

T

S

S

I

V

V

A

G

G

V

M

T

M

G

G

N

N

P
|
P

G

G

Q

Q

T

A

N

N

Y

Y

A

S

A

A

S

A

K
|
K

A

A

G

G

M

V

I

I

G

G

F

F

S

T

K

K

A

T

L

V

A

A

Q

K

E

E

L

L

A

A

S

S

R

R

G

G

V

V

T

T

V

V

N

N

C

A

V

V

A

A

P

P

G

G

F
|
F

I

I

A

A

S

T

P

D

M

M

T

T

D

E

A

N

L

L

N
|
N

E

A

Q

E

Q

P

K

-

A

-

G

-

I

I

L

L

S

Q

T

F

I

I

P

P

A

L

G

A

K

R

L

Y

G

G

E

Q

G

P

A

E

D

E

I

V

A

A

A

G

A

T

C

I

V

R

Y

F

L

L

A

A

S

T

D

D

Q

P

-

A

A

A

G

A

Y

Y

V

I

T

T

G

G

Q

Q

T

T

L

F

H

N

V

V

N

D

G

G

M

M

A

V

M

M

I

F

A14 (= A14) mutation to G: 4.2-fold increase in activity on acetoacetyl-CoA.
P151 (= P148) mutation to F: 2.7-fold increase in activity on acetoacetyl-CoA.; mutation to V: 5.7-fold increase in activity on acetoacetyl-CoA.
K160 (= K157) mutation to A: Almost no activity on acetoacetyl-CoA.
F188 (= F185) mutation to Y: 3.3-fold increase in activity on acetoacetyl-CoA.
N198 (= N195) mutation to R: 3.5-fold increase in activity on acetoacetyl-CoA.

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)
49% identity, 99% coverage: 2:245/246 of query aligns to 14:254/255 of 4bo4C

query
sites
4bo4C

F

M

D

S

L

L

T

Q

G

G

K

K

T

V

A

A

L

L

V

V

T

T

G

G

A

A

T

S

G

R

G
|
G

I

I

G

G

G

Q

A

A

I

I

A

A

R

L

A

E

L

L

H

G

A

R

Q

L

G

G

A

A

H

V

V

V

V

I

L

G

S

T

G

A

T

T

R

S

E

A

S

S

A

G

-

A

-

E

-

K

L

I

A

A

E

E

L

T

K

L

A

K

E

A

L

N

G

G

E

V

R

E

A

G

S

A

T

G

V

L

V

V

A

L

N

D

L

V

S

S

D

S

A

D

E

E

Q

S

V

V

D

A

G

A

L

T

V

L

A

E

K

H

A

I

E

Q

A

H

A

L

G

G

A

Q

P

P

L

L

D

-

I

I

V

V

I

V

A

N

N

N

A

A

G

G

V

I

T

T

R

R

D

D

G

N

L

L

I

L

V

V

R

R

M

M

K

K

D

D

E

D

D

E

W
|
W

D
x
F

T

D

V

V

I
x
V

K
x
N

V

T

N

N

L
|
L

E

N

G

S

Y

L

F

Y

R

R

L

L

S

S

R

K

A

A

A

V

A

L

K

R

G

G

M

M

M

T

K

K

R

A

R

R

A

W

G

G

R

R

I

I

G

N

I

I

T

G

S
|
S

I

V

V

V

G

G

V

-

T

-

G

G

N

N

P

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

S

A

K
|
K

A
|
A

G
|
G

M

L

I

E

G
|
G

F
|
F

S

T

K

R

A

A

L

L

A

A

Q

R

E

E

L

V

A

G

S

S

R

R

G

A

V

I

T

T

V

V

N

N

C

A

V

V

A

A

P

P

G

G

F

F

I

I

A

D

S

T

P

D

M

M

T

T

D

-

A

-

L

-

N

R

E

E

Q

A

Q

Q

K

R

A

E

G

A

I

L

L

L

S

G

T

Q

I

I

P

P

A

L

G

G

K

R

L

L

G

G

E

Q

G

A

A

E

D

E

I

I

A

A

A

K

A

V

C

V

V

G

Y

F

L

L

A

A

S

S

D

D

Q

G

A

A

G

A

Y

Y

V

V

T

T

G

G

Q

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

A

Y

M

M

active site: G29 (= G17), S154 (= S140), Y165 (= Y153), K169 (= K157)
binding N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide: W119 (= W105), F120 (≠ D106), V123 (≠ I109), N124 (≠ K110), L127 (= L113), A170 (= A158), G171 (= G159), G174 (= G162), F175 (= F163)

4dmmB 3-oxoacyl-[acyl-carrier-protein] reductase from synechococcus elongatus pcc 7942 in complex with NADP
48% identity, 99% coverage: 2:245/246 of query aligns to 1:239/240 of 4dmmB

query
sites
4dmmB

F

L

D

P

L

L

T

T

G

D

K

R

T

I

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

I
|
I

G

G

G

R

A

A

I

I

A

A

R

L

A

E

L

L

H

A

A

A

Q

A

G

G

A

A

H

K

V

V

V

A

L

V

-
x
N

-
x
Y

-
x
A

-
x
S

S
|
S

G

A

T

G

R

A

E

A

S

D

A

E

L

V

A

V

E

A

L

A

K

I

A

A

E

A

L

A

G

G

E

G

R

E

A

A

S

F

T

A

V

V

V

K

A
|
A

N
x
D

L
x
V

S

S

D

Q

A

E

E

S

Q

E

V

V

D

E

G

A

L

L

V

F

A

A

K

A

A

V

E

I

E

E

A

R

A

W

G

G

A

-

P

R

L

L

D

D

I

V

V

L

I

V

A

N

N
|
N

A
|
A