SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_002963614.1 NCBI__GCF_000022745.1:WP_002963614.1 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)
51% identity, 100% coverage: 1:245/245 of query aligns to 3:247/247 of 3op4A

query
sites
3op4A

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ T15), R18 (≠ G16), I20 (≠ L18), T40 (= T38), N62 (= N60), V63 (≠ L61), N89 (= N87), A90 (= A88), I92 (= I90), V139 (≠ I137), S141 (= S139), Y154 (= Y152), K158 (= K156), P184 (= P182), G185 (= G183), I187 (= I185), T189 (≠ S187), M191 (= M189)

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: 2:245/245 of query aligns to 1:244/244 of P0AEK2

query
sites
P0AEK2

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GASR 12:15 (≠ GATG 13:16) binding NADP(+)
T37 (= T38) binding NADP(+)
NV 59:60 (≠ NL 60:61) binding NADP(+)
N86 (= N87) binding NADP(+)
Y151 (= Y152) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YCASK 152:156) binding NADP(+)
A154 (≠ S155) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K156) mutation to A: Defect in the affinity for NADPH.
I184 (= I185) binding NADP(+)
E233 (≠ Q234) 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: 3:245/245 of query aligns to 1:243/243 of 1q7bA

query
sites
1q7bA

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active site: G15 (= G17), E101 (≠ D103), S137 (= S139), Q147 (= Q149), Y150 (= Y152), K154 (= K156)
binding calcium ion: E232 (≠ Q234), T233 (= T235)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ T15), R14 (≠ G16), T36 (= T38), N58 (= N60), V59 (≠ L61), N85 (= N87), A86 (= A88), G87 (= G89), I88 (= I90), S137 (= S139), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (= G183), I183 (= I185)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
51% identity, 99% coverage: 3:245/245 of query aligns to 1:243/243 of 1q7cA

query
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1q7cA

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active site: G15 (= G17), S137 (= S139), Q147 (= Q149), F150 (≠ Y152), K154 (= K156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ T15), R14 (≠ G16), A35 (≠ G37), T36 (= T38), L57 (≠ A59), N58 (= N60), V59 (≠ L61), G87 (= G89), I88 (= I90)

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, 98% coverage: 6:245/245 of query aligns to 5:244/244 of P0A2C9

query
sites
P0A2C9

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N

G

V

I

T

T

V

V

N

N

C

V

I

V

A

A

P

P

G

G

F

F

I

I

E

E

S

T

A

D

M

M

T

T

G

R

K

A

L

L

N

S

E

D

K

D

Q

Q

K

R

D

A

A

G

I

I

M

L

G

A

N

Q

I

V

P

P

M

A

K

G

R

R

M

L

G

G

V

G

G

A

A

Q

D

E

I

I

A

A

A

S

A

A

V

V

V

A

Y

F

L

L

A
|
A

S
|
S

D

D

E

E

A

A

A

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 (= M126) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (= A224) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (= S225) 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)
51% identity, 98% coverage: 6:245/245 of query aligns to 5:244/244 of 6t77A

query
sites
6t77A

G

G

R

K

K

I

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

L

I

G

G

E

R

A

A

I

I

A

A

R

E

A

T

L

L

H

V

A

A

Q

R

G

G

A

A

I

K

V

V

G

I

L

G

H

T

G

A

T
|
T

R

S

E

E

E

S

K

G

L

A

K

Q

E

A

L

I

A

S

A

D

E

Y

L

L

G

G

E

A

R

N

I

G

F

K

V

G

F

L

P

M

A
x
L

N
|
N

L
x
V

S

T

D

D

R

P

E

A

A

S

V

I

K

E

A

S

L

V

G

L

Q

E

K

N

A

V

E

R

E

A

E

E

M

F

G

G

G

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

G

N

L

L

F

L

V

M

R

R

M

M

S

K

D

D

E

D

D

E

W

W

D

N

A

D

V

I

L

I

T

E

V

T

N

N

L

L

T

S

S

S

V

V

F

F

N

R

L

L

T

S

R

K

E

A

L

V

T

M

H

R

P

A

M

M

R

K

R

R

N

H

G

G

R

R

I

I

N

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

A

A

N

N

Y
|
Y

C

A

A

A

S

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

Q

R

E

E

I

V

A

A

S

S

R

R

N

G

V

I

T

T

V

V

N

N

C

V

I

V

A

A

P

P

G

G

F

F

I

I

E

E

S

T

A

D

M

M

T

T

G

R

K

A

L

L

N

T

E

D

K

E

Q

Q

K

R

D

A

A

G

I

T

M

L

G

A

N

A

I

V

P

P

M

A

K

G

R

R

M

L

G

G

V

T

G

P

A

N

D

E

I

I

A

A

A

S

A

A

V

V

V

A

Y

F

L

L

A

A

S

S

D

D

E

E

A

A

A

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 (= S139), Y151 (= Y152)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ T15), R15 (≠ G16), T37 (= T38), L58 (≠ A59), N59 (= N60), V60 (≠ L61), A87 (= A88), G88 (= G89), I89 (= I90)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
50% identity, 100% coverage: 1:245/245 of query aligns to 3:243/243 of 4i08A

query
sites
4i08A

M

F

F

M

D

N

L

L

T

E

G

G

R

K

K

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

L
x
I

G

G

E

K

A

A

I

I

A

A

R

E

A

L

L

L

H

A

A

E

Q

R

G

G

A

A

I

K

V

V

G

I

L

G

H

T

G

A

T
|
T

R

S

E

E

E

S

K

G

L

A

K

Q

E

A

L

I

A

S

A

D

E

Y

L

L

G

G

E

D

R

N

I

G

F

K

V

G

F

M

P

A

A

L

N
|
N

L
x
V

S

T

D

N

R

P

E

E

A

S

V

I

K

E

A

A

L

V

G

L

Q

K

K

A

A

I

E

T

E

D

E

E

M

F

G

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

G

N

L

L

F

L

V

M

R

R

M

M

S

K

D

E

E

E

D

E

W

W

D

S

A

D

V

I

L

M

T

E

V

T

N
|
N

L

L

T

T

S

S

V

I

F

F

N

R

L

L

T

S

R

K

E

A

L

V

T

L

H

R

P

G

M

M

R

K

R

R

N

Q

G

G

R

R

I

I

N

N

I

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

A

A

N

N

Y
|
Y

C

A

A

A

S

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

Q

R

E

E

I

V

A

A

S

S

R

R

N

G

V

V

T

T

V

V

N

N

C

T

I

V

A

A

P
|
P

G
|
G

F

F

I

I

E

E

S
x
T

A

D

M

M

T

-

G

-

K

-

L

-

N

N

E

D

K

E

Q

Q

K

R

D

T

A

A

I

T

M

L

G

A

N

Q

I

V

P

P

M

A

K

G

R

R

M

L

G

G

V

D

G

P

A

R

D

E

I

I

A

A

A

S

A

A

V

V

V

A

Y

F

L

L

A

A

S

S

D

P

E

E

A

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 (= N111), S141 (= S139), Q151 (= Q149), Y154 (= Y152), K158 (= K156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ T15), R18 (≠ G16), I20 (≠ L18), T40 (= T38), N62 (= N60), V63 (≠ L61), N89 (= N87), A90 (= A88), G140 (≠ T138), S141 (= S139), Y154 (= Y152), K158 (= K156), P184 (= P182), G185 (= G183), T189 (≠ S187)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
51% identity, 98% coverage: 6:245/245 of query aligns to 4:243/243 of 7emgB

query
sites
7emgB

G

G

R

K

K

I

A

V

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G

G

L

I

G

G

E

R

A

A

I

I

A

A

R

E

A

T

L

F

H

V

A

A

Q

R

G

G

A

A

I

K

V

V

G

I

L

G

H

T

G

A

T
|
T

R

S

E

E

E

S

K

G

L

A

K

E

E

A

L

I

A

S

A

G

E

Y

L

L

G

G

E

A

R

N

I

G

F

K

V

G

F

F

P

M

A

L

N
|
N

L
x
V

S

K

D

D

R

A

E

Q

A

S

V

I

K

D

A

S

L

V

G

L

Q

A

K

S

A

I

E

R

E

A

E

E

M

F

G

G

G

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

G

N

L

L

F

L

V

M

R

R

M

M

S

K

D

D

E

D

D

E

W

W

D

E

A

D

V

I

L

L

T

D

V

T

N

N

L

L

T

T

S

S

V

V

F

F

N

R

L

L

T

S

R

K

E

A

L

V

T

M

H

C

P

A

M

M

R

K

R

R

N

F

G

G

R

R

I

I

N

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

A

A

N

N

Y

Y

C

A

A

A

S

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

Q

R

E

E

I

V

A

A

S

S

R

R

N

G

V

I

T

T

V

V

N

N

C

V

I

V

A

A

P

P

G

G

F

Y

I

I

E

E

S

T

A

D

M

M

T

T

G

R

K

A

L

L

N

T

E

D

K

D

Q

Q

K

R

D

A

A

G

I

I

M

L

G

S

N

S

I

V

P

P

M

A

K

N

R

R

M

P

G

G

V

D

G

A

A

K

D

E

I

I

A

A

A

S

A

A

V

V

V

A

Y

F

L

L

A

A

S

S

D

D

E

E

A

A

A

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), T36 (= T38), N58 (= N60), V59 (≠ L61), I88 (= I90)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
49% identity, 97% coverage: 7:244/245 of query aligns to 5:246/246 of 3osuA

query
sites
3osuA

R

K

K

S

A

A

L

L

V

V

T

T

G

G

A

A

T

S

G

R

G
|
G

L

I

G

G

E

R

A

S

I

I

A

A

R

L

A

Q

L

L

H

A

A

E

Q

E

G

G

A

Y

I

N

V

V

G

A

L

V

H

N

-

Y

-

A

G

G

T

S

R

K

E

E

E

K

K

A

-

E

-

A

-

V

L

V

K

E

E

E

L

I

A

K

A

A

E

K

L

-

G

G

E

V

R

D

I

S

F

F

V

A

F

I

P

Q

A

A

N

N

L

V

S

A

D

D

R

A

E

D

A

E

V

V

K

K

A

A

L

M

G

I

Q

K

K

E

A

V

E

V

E

S

E

Q

M

F

G

G

G

S

V

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

I

I

T

T

R

R

D

D

G

N

L

L

F

L

V

M

R

R

M

M

S

K

D

E

E

Q

D

E

W

W

D

D

A

D

V

V

L

I

T

D

V

T

N

N

L

L

T

K

S

G

V

V

F

F

N

N

L

C

T

I

R

Q

E

K

L

A

T

T

H

P

P

Q

M

M

M

L

R

R

R

Q

R

R

N

S

G

G

R

A

I

I

N

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

A

A

N

N

Y
|
Y

C

V

A

A

S

T

K
|
K

A

A

G

G

L

V

I

I

G

G

F

L

S

T

K

K

S

S

L

A

A

A

Q

R

E

E

I

L

A

A

S

S

R

R

N

G

V

I

T

T

V

V

N

N

C

A

I

V

A

A

P

P

G

G

F

F

I

I

E

V

S

S

A

D

M

M

T

T

G

D

K

A

L

L

N

S

E

D

K

E

Q

L

K

K

D

E

A

Q

I

M

M

L

G

T

N

Q

I

I

P

P

M

L

K

A

R

R

M

F

G

G

V

Q

G

D

A

T

D

D

I

I

A

A

A

N

A

T

V

V

V

A

Y

F

L

L

A

A

S

S

D

D

E

K

A

A

A

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 (= S139), Q151 (= Q149), Y154 (= Y152), K158 (= K156)
binding magnesium ion: N89 (= N87), K158 (= K156)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
49% identity, 97% coverage: 7:244/245 of query aligns to 2:239/239 of 3sj7A

query
sites
3sj7A

R

K

K

S

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

L
x
I

G

G

E

R

A

S

I

I

A

A

R

L

A

Q

L

L

H

A

A

E

Q

E

G

G

A

Y

I

N

V

V

G

A

L

V

H
x
N

-
x
Y

-
x
A

G
|
G

T
x
S

R

K

E

E

E

K

K

A

-

E

-

A

-

V

L

V

K

E

E

E

L

I

A

K

A

A

E

K

L

-

G

G

E

V

R

D

I

S

F

F

V

A

F

I

P

Q

A
|
A

N
|
N

L
x
V

S

A

D

D

R

A

E

D

A

E

V

V

K

K

A

A

L

M

G

I

Q

K

K

E

A

V

E

V

E

S

E

Q

M

F

G

G

G

S

V

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

G

N

L

L

F

L

V

M

R

R

M

M

S

K

D

E

E

Q

D

E

W

W

D

D

A

D

V

V

L

I

T

D

V
x
T

N

N

L

L

T

K

S

G

V

V

F

F

N

N

L

C

T

I

R

Q

E

K

L

A

T

T

H

P

P

Q

M

M

M

L

R

R

R

Q

R

R

N

S

G

G

R

A

I

I

N

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

A

A

N

N

Y
|
Y

C

V

A

A

S

T

K
|
K

A

A

G

G

L

V

I

I

G

G

F

L

S

T

K

K

S

S

L

A

A

A

Q

R

E

E

I

L

A

A

S

S

R

R

N

G

V

I

T

T

V

V

N

N

C

A

I

V

A

A

P
|
P

G
|
G

F

F

I

I

E

V

S

S

A

D

M

M

T

T

G

D

K

E

L

L

N

K

E

E

K

Q

Q

-

K

-

D

-

A

-

I

M

M

L

G

T

N

Q

I

I

P

P

M

L

K

A

R

R

M

F

G

G

V

Q

G

D

A

T

D

D

I

I

A

A

A

N

A

T

V

V

V

A

Y

F

L

L

A

A

S

S

D

D

E

K

A

A

A

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 (= S139), Q148 (= Q149), Y151 (= Y152), K155 (= K156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G13), S10 (≠ T15), R11 (≠ G16), I13 (≠ L18), N31 (≠ H36), Y32 (vs. gap), A33 (vs. gap), G34 (= G37), S35 (≠ T38), A58 (= A59), N59 (= N60), V60 (≠ L61), N86 (= N87), A87 (= A88), T109 (≠ V110), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (= G183)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
48% identity, 98% coverage: 4:244/245 of query aligns to 3:247/247 of 4jroC

query
sites
4jroC

L

L

T

Q

G

G

R

K

K

V

A

A

L

V

V

V

T

T

G
|
G

A

G

T
x
S

G
x
R

G
|
G

L
x
I

G

G

E

R

A

D

I

I

A

A

R

I

A

N

L

L

H

A

A

K

Q

E

G

G

A

A

-

N

-

I

I

F

V

F

G
x
N

L
x
Y

H
x
N

G
|
G

T
x
S

R

P

E

E

-

A

E

E

K

E

L

T

K

A

E

K

L

L

A

V

A

A

E

E

L

H

G

G

E

V

R

E

I

V

F

E

V

A

F

M

P

K

A

A

N
|
N

L
x
V

S

A

D

I

R

A

E

E

A

D

V

V

K

D

A

A

L

F

G

F

Q

K

K

Q

A

A

E

I

E

E

E

R

M

F

G

G

G

R

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

G

N

L

L

F

L

V

M

R

R

M

M

S

K

D

E

E

D

D

E

W

W

D

D

A

D

V

V

L

I

T

N

V
x
I

N

N

L

L

T

K

S

G

V

T

F

F

N

L

L

C

T

T

R

K

E

A

L

V

T

S

H

R

P

T

M

M

R

K

R

Q

R

R

N

A

G

G

R

K

I

I

N

N

I

M

T

A

S
|
S

I

V

V

V

G

G

V

L

T

I

G

G

N

N

P

A

G

G

Q
|
Q

A

A

N

N

Y
|
Y

C

V

A

A

S

S

K
|
K

A

A

G

G

L

V

I

I

G

G

F

L

S

T

K

K

S

T

L

T

A

A

Q

R

E

E

I

L

A

A

S

P

R

R

N

G

V

I

T

N

V

V

N

N

C

A

I

V

A

A

P
|
P

G

G

F

F

I
|
I

E

T

S
x
T

A

D

M

M

T

T

G

D

K

K

L

L

N

D

E

E

K

K

Q

T

K

K

D

E

A

A

I

M

M

L

G

A

N

Q

I

I

P

P

M

L

K

G

R

A

M

Y

G

G

V

T

G

T

A

E

D

D

I

I

A

A

A

N

A

A

V

V

V

L

Y

F

L

L

A

A

S

S

D

D

E

A

A

S

A

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 (= S139), Q152 (= Q149), Y155 (= Y152), K159 (= K156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ T15), R15 (≠ G16), G16 (= G17), I17 (≠ L18), N35 (≠ G34), Y36 (≠ L35), N37 (≠ H36), G38 (= G37), S39 (≠ T38), N63 (= N60), V64 (≠ L61), N90 (= N87), A91 (= A88), I93 (= I90), I113 (≠ V110), S142 (= S139), Y155 (= Y152), K159 (= K156), P185 (= P182), I188 (= I185), T190 (≠ S187)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
47% identity, 99% coverage: 2:244/245 of query aligns to 8:253/254 of 4ag3A

query
sites
4ag3A

F

M

D

S

L

L

T

Q

G

G

R

K

K

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

L
x
I

G

G

E

Q

A

A

I

I

A

A

R

L

A

E

L

L

H

G

A

R

Q

L

G

G

A

A

I

V

V

V

-

I

-

G

-

T

G

A

L
x
T

H

S

G

A

T

S

R

G

E

A

E

E

K

K

L

I

K

A

E

E

L

T

A

L

A

K

E

A

L

N

G

G

E

V

R

E

I

G

F

A

V

G

F

L

P

V

A
x
L

N
x
D

L
x
V

S

S

D

S

R

D

E

E

A

S

V

V

K

A

A

A

L

T

G

L

Q

E

K

H

A

I

E

Q

E

H

M

L

G

G

G

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

G

N

L

L

F

L

V

V

R

R

M

M

S

K

D

D

E

D

D

E

W

W

D

F

A

D

V

V

L

V

T

N

V

T

N

N

L

L

T

N

S

S

V

L

F

Y

N

R

L

L

T

S

R

K

E

A

L

V

T

L

H

R

P

G

M

M

M

T

R

K

R

A

R

R

N

W

G

G

R

R

I

I

N

N

I
|
I

T

G

S
|
S

I

V

V

V

G

G

V

A

T

M

G

G

N

N

P

A

G

G

Q

Q

A

T

N

N

Y
|
Y

C

A

A

A

S

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

Q

R

E

E

I

V

A

G

S

S

R

R

N

A

V

I

T

T

V

V

N

N

C

A

I

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

E

D

S
x
T

A

D

M
|
M

T
|
T

G

R

K

E

L

L

N

P

E

E

K

A

Q

Q

K

R

D

E

A

A

I

L

M

L

G

G

N

Q

I

I

P

P

M

L

K

G

R

R

M

L

G

G

V

Q

G

A

A

E

D

E

I

I

A

A

A

K

A

V

V

V

V

G

Y

F

L

L

A

A

S

S

D

D

E

G

A

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 (= S139), Y161 (= Y152), K165 (= K156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G13), S21 (≠ T15), R22 (≠ G16), G23 (= G17), I24 (≠ L18), T44 (≠ L35), L68 (≠ A59), D69 (≠ N60), V70 (≠ L61), N96 (= N87), A97 (= A88), I146 (= I137), S148 (= S139), Y161 (= Y152), K165 (= K156), P191 (= P182), G192 (= G183), F193 (= F184), I194 (= I185), T196 (≠ S187), M198 (= M189), T199 (= T190)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
45% identity, 96% coverage: 9:244/245 of query aligns to 8:243/244 of 6t62A

query
sites
6t62A

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

L

I

G

G

E

A

A

A

I

I

A

A

R

Q

A

Q

L

L

H

I

A

Q

Q

D

G

G

A

Y

I

F

V

V

G

V

L

G

H

T

G
x
A

T
|
T

R

S

E

E

E

S

K

G

L

A

K

Q

E

K

L

L

A

T

A

D

E

S

L

F

G

G

E

E

R

Q

I

G

F

A

V

G

F

L

P

A

A
x
L

N
x
D

L
x
V

S

R

D

N

R

L

E

D

A

E

V

I

K

E

A

A

L

V

G

V

Q

S

K

H

A

I

E

E

E

Q

E

N

M

Y

G

G

G

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

G

N

L

L

F

L

V

L

R

R

M

M

S

S

D

E

E

D

D

D

W

W

D

D

A

D

V

I

L

L

T

N

V

I

N

H

L

L

T

K

S

A

V

V

F

Y

N

R

L

L

T

S

R

K

E

R

L

V

T

L

H

K

P

G

M

M

M

T

R

K

R

A

R

R

N

F

G

G

R

R

I

I

N

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

A

A

N

N

Y
|
Y

C

S

A

A

S

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

Q

K

E

E

I

M

A

G

S

S

R

R

N

Q

V

I

T

T

V

V

N

N

C

S

I

V

A

A

P
|
P

G
|
G

F

F

I
|
I

E

A

S

T

A

E

M
|
M

T

T

G

D

K

A

L

L

N

S

E

E

K

D

Q

I

K

R

D

K

A

K

I

M

M

S

G

D

N

Q

I

V

P

A

M

L

K

N

R

R

M

L

G

G

V

E

G

P

A

Q

D

D

I

I

A

A

A

N

A

A

V

V

V

S

Y

F

L

L

A

A

S

S

D

D

E

K

A

A

A

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 (= S139), Y151 (= Y152)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ T15), R15 (≠ G16), A36 (≠ G37), T37 (= T38), L58 (≠ A59), D59 (≠ N60), V60 (≠ L61), N86 (= N87), A87 (= A88), G88 (= G89), I89 (= I90), I136 (= I137), S137 (≠ T138), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (= G183), I184 (= I185), M188 (= M189)

6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
45% identity, 96% coverage: 9:244/245 of query aligns to 8:243/244 of 6wprA

query
sites
6wprA

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

L

I

G

G

E

A

A

A

I

I

A

A

R

Q

A

Q

L

L

H

I

A

Q

Q

D

G

G

A

Y

I

F

V

V

G

V

L

G

H

T

G

A

T
|
T

R

S

E

E

E

S

K

G

L

A

K

Q

E

K

L

L

A

T

A

D

E

S

L

F

G

G

E

E

R

Q

I

G

F

A

V

G

F

L

P

A

A
x
L

N
x
D

L
x
V

S

R

D

N

R

L

E

D

A

E

V

I

K

E

A

A

L

V

G

V

Q

S

K

H

A

I

E

E

E

Q

E

N

M

Y

G

G

G

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

G

N

L

L

F

L

V

L

R

R

M

M

S

S

D

E

E

D

D

D

W

W

D

D

A

D

V

I

L

L

T

N

V

I

N

H

L

L

T

K

S

A

V

V

F

Y

N

R

L

L

T

S

R

K

E

R

L

V

T

L

H

K

P

G

M

M

M

T

R

K

R

A

R

R

N

F

G

G

R

R

I

I

N

N

I
|
I

T

S

S
|
S

I

V

V

V

G

A

V

H

T

F

G

A

N

N

P

P

G

G

Q

Q

A

A

N

N

Y
|
Y

C

S

A

A

S

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

Q

K

E

E

I

M

A

G

S

S

R

R

N

Q

V

I

T

T

V

V

N

N

C

S

I

V

A

A

P
|
P

G

G

F

F

I

I

E

A

S

T

A

E

M

M

T

T

G

D

K

A

L

L

N

S

E

E

K

D

Q

I

K

R

D

K

A

K

I

M

M

S

G

D

N

Q

I

V

P

A

M

L

K

N

R

R

M

L

G

G

V

E

G

P

A

Q

D

D

I

I

A

A

A

N

A

A

V

V

V

S

Y

F

L

L

A

A

S

S

D

D

E

K

A

A

A

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 (= S139), Y151 (= Y152)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ T15), R15 (≠ G16), T37 (= T38), L58 (≠ A59), D59 (≠ N60), V60 (≠ L61), N86 (= N87), A87 (= A88), G88 (= G89), I89 (= I90), I136 (= I137), Y151 (= Y152), K155 (= K156), P181 (= P182)

1edoA The x-ray structure of beta-keto acyl carrier protein reductase from brassica napus complexed with NADP+ (see paper)
47% identity, 96% coverage: 10:244/245 of query aligns to 5:244/244 of 1edoA

query
sites
1edoA

L

V

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G
|
G

L
x
I

G

G

E

K

A

A

I

I

A

A

R

L

A

S

L

L

H

G

A

K

Q

A

G

G

A

C

I

K

V

V

G

L

L

V

H
x
N

G
x
Y

T
x
A

R
|
R

-
x
S

-

A

-

K

-

A

E

E

K

V

L

S

K

K

E

Q

L

I

A

E

A

A

E

Y

L

G

G

G

E

Q

R

A

I

I

F

-

V

T

F

F

P

G

A

G

N
x
D

L
x
V

S

S

D

K

R

E

E

A

A

D

V

V

K

E

A

A

L

M

G

M

Q

K

K

T

A

A

E

I

E

D

E

A

M

W

G

G

G

T

V

I

D

D

I

V

L

V

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

G

T

L

L

F

L

V

I

R

R

M

M

S

K

D

K

E

S

D

Q

W

W

D

D

A

E

V

V

L

I

T

D

V

L

N

N

L

L

T

T

S

G

V

V

F

F

N

L

L

C

T

T

R

Q

E

A

L

A

T

T

H

K

P

I

M

M

R

K

R

R

N

K

G

G

R

R

I

I

N

N

I

I

T

A

S
|
S

I

V

V

V

G

G

V

L

T

I

G

G

N

N

P

I

G

G

Q

Q

A

A

N

N

Y
|
Y

C

A

A

A

S

A

K
|
K

A

A

G

G

L

V

I

I

G

G

F

F

S

S

K

K

S

T

L

A

A

A

Q

R

E

E

I

G

A

A

S

S

R

R

N

N

V

I

T

N

V

V

N

N

C

V

I

V

A

C

P
|
P

G
|
G

F

F

I
|
I

E

A

S
|
S

A

D

M
|
M

T

T

G

A

K

K

L

L

N

G

E

E

K

D

Q

M

K

E

D

K

A

K

I

I

M

L

G

G

N

T

I

I

P

P

M

L

K

G

R

R

M

T

G

G

V

Q

G

P

A

E

D

N

I

V

A

A

A

G

A

L

V

V

V

E

Y

F

L

L

A

A

-

L

S

S

D

P

E

A

A

A

A

S

Y

Y

V

I

T

T

G

G

Q

Q

T

A

L

F

H

T

V

I

N

D

G

G

M

I

A

A

M

I

active site: G12 (= G17), S138 (= S139), Y151 (= Y152), K155 (= K156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G13), S10 (≠ T15), R11 (≠ G16), I13 (≠ L18), N31 (≠ H36), Y32 (≠ G37), A33 (≠ T38), R34 (= R39), S35 (vs. gap), D59 (≠ N60), V60 (≠ L61), N86 (= N87), A87 (= A88), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (= G183), I184 (= I185), S186 (= S187), M188 (= M189)

P73574 3-oxoacyl-[acyl-carrier-protein] reductase; 3-ketoacyl-acyl carrier protein reductase; EC 1.1.1.100 from Synechocystis sp. (strain ATCC 27184 / PCC 6803 / Kazusa) (see paper)
47% identity, 100% coverage: 1:245/245 of query aligns to 1:247/247 of P73574

query
sites
P73574

M

M

F

T

D

A

L

L

T

T

G

A

R

Q

K

V

A

A

L

L

V

V

T

T

G

G

A
|
A

T

S

G

R

G

G

L

I

G

G

E

K

A

A

I

T

A

A

R

L

A

A

L

L

H

A

A

A

Q

T

G

G

A

M

I

K

V

V

G

V

L

V

H

N

G

Y

T

A

R

Q

E

S

K

T

-

A

-

D

-

A

-

V

L

V

K

A

E

E

L

I

A

I

A

A

E

N

L

G

G

G

E

E

R

A

I

I

F

A

V

V

F

-

P

Q

A

A

N

N

L

V

S

A

D

N

R

A

E

D

A

E

V

V

K

D

A

Q

L

L

G

I

Q

K

K

T

A

T

E

L

E

D

E

K

M

F

G

S

G

R

V

I

D

D

I

V

L

L

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

G

T

L

L

F

L

V

L

R

R

M

M

S

K

D

L

E

E

D

D

W

W

D

Q

A

A

V

V

L

I

T

D

V

L

N

N

L

L

T

T

S

G

V

V

F

F

N

L

L

C

T

T

R

K

E

A

L

V

T

S

H

K

P

L

M

M

M

L

R

K

R

Q

R

K

N

S

G

G

R

R

I

I

N

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

A

A

N

N

Y

Y

C

S

A

A

S

A

K
|
K

A

A

G

G

L

V

I

I

G

G

F

F

S

T

K

K

S

T

L

V

A

A

Q

K

E

E

I

L

A

A

S

S

R

R

N

G

V

V

T

T

V

V

N

N

C

A

I

V

A

A

P

P

G

G

F
|
F

I

I

E

A

S

T

A

D

M

M

T

T

G

E

K

N

L

L

N
|
N

E

-

K

-

Q

-

K

A

D

E

A

P

I

I

M

L

G

Q

N

F

I

I

P

P

M

L

K

A

R

R

M

Y

G

G

V

Q

G

P

A

E

D

E

I

V

A

A

A

G

A

T

V

I

V

R

Y

F

L

L

A

A

S

T

D

D

E

P

-

A

A

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 (= P147) 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 (= K156) mutation to A: Almost no activity on acetoacetyl-CoA.
F188 (= F184) mutation to Y: 3.3-fold increase in activity on acetoacetyl-CoA.
N198 (= N194) mutation to R: 3.5-fold increase in activity on acetoacetyl-CoA.

3tzcA Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg)(y155f) from vibrio cholerae (see paper)
45% identity, 99% coverage: 1:242/245 of query aligns to 3:223/224 of 3tzcA

query
sites
3tzcA

M

F

F

M

D

N

L

L

T

E

G

G

R

K

K

V

A

A

L

L

V

V

T

T

G
|
G

A

A

T
x
S

G
x
R

G

G

L

I

G

G

E

K

A

A

I

I

A

A

R

E

A

L

L

L

H

A

A

E

Q

R

G

G

A

A

I

K

V

V

G

I

L

G

H

T

G
x
A

T
|
T

R

S

E

E

E

S

K

G

L

A

K

Q

E

A

L

I

A

S

A

D

E

Y

L

L

G

G

E

D

R

N

I

G

F

K

V

G

F

M

P

A

A

L

N
|
N

L
x
V

S

T

D

N

R

P

E

E

A

S

V

I

K

E

A

A

L

V

G

L

Q

K

K

A

A

I

E

T

E

D

E

E

M

F

G

G

V

V

D

D

I

I

L

L

V

V

N

N

A

A

G
|
G

I
|
I

T

T

R

R

D

-

G

-

L

-

F

-

V

M

R

R

M

M

S

K

D

E

E

E

D

E

W

W

D

S

A

D

V

I

L

M

T

E

V
x
T

N

N

L

L

T

T

S

S

V

I

F

F

N

R

L

L

T

S

R

K

E

A

L

V

T

L

H

R

P

G

M

M

R

K

R

R

N

Q

G

G

R

R

I

I

N

N

I

V

T

G

S

S

I

V

V

V

G

-

V

-

T

-

G

-

N

-

P

-

G

-

Q

-

A

-

N

-

Y

-

C

-

A

A

S

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

Q

R

E

E

I

V

A

A

S

S

R

R

N

G

V

V

T

T

V

V

N

N

C

T

I

V

A

A

P

P

G

G

F

F

I

I

E

E

S

T

A

D

M

M

T

-

G

-

K

-

L

-

N

-

E

D

K

E

Q

Q

K

R

D

T

A

A

I

T

M

L

G

A

N

Q

I

V

P

P

M

A

K

G

R

R

M

L

G

G

V

D

G

P

A

R

D

E

I

I

A

A

A

S

A

A

V

V

V

A

Y

F

L

L

A

A

S

S

D

P

E

E

A

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

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ T15), R18 (≠ G16), A39 (≠ G37), T40 (= T38), N62 (= N60), V63 (≠ L61), G91 (= G89), I92 (= I90), T108 (≠ V110)

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)
46% identity, 99% coverage: 2:244/245 of query aligns to 14:254/255 of 4bo4C

query
sites
4bo4C

F

M

D

S

L

L

T

Q

G

G

R

K

K

V

A

A

L

L

V

V

T

T

G

G

A

A

T

S

G

R

G
|
G

L

I

G

G

E

Q

A

A

I

I

A

A

R

L

A

E

L

L

H

G

A

R

Q

L

G

G

A

A

I

V

V

V

-

I

-

G

-

T

G

A

L

T

H

S

G

A

T

S

R

G

E

A

E

E

K

K

L

I

K

A

E

E

L

T

A

L

A

K

E

A

L

N

G

G

E

V

R

E

I

G

F

A

V

G

F

L

P

V

A

L

N

D

L

V

S

S

D

S

R

D

E

E

A

S

V

V

K

A

A

A

L

T

G

L

Q

E

K

H

A

I

E

Q

E

H

M

L

G

G

G

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

G

N

L

L

F

L

V

V

R

R

M

M

S

K

D

D

E

D

D

E

W

W

D

F

A

D

V

V

L
x
V

T

N

V

T

N

N

L
|
L

T

N

S

S

V

L

F

Y

N

R

L

L

T

S

R

K

E

A

L

V

T

L

H

R

P

G

M

M

M

T

R

K

R

A

R

R

N

W

G

G

R

R

I

I

N

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

A

T

N

N

Y
|
Y

C

A

A

A

S

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

Q

R

E

E

I

V

A

G

S

S

R

R

N

A

V

I

T

T

V

V

N

N

C

A

I

V

A

A

P

P

G

G

F

F

I

I

E

D

S

T

A

D

M

M

T

T

G

-

K

-

L

-

N

R

E

E

K

A

Q

Q

K

R

D

E

A

A

I

L

M

L

G

G

N

Q

I

I

P

P

M

L

K

G

R

R

M

L

G

G

V

Q

G

A

A

E

D

E

I

I

A

A

A

K

A

V

V

V

V

G

Y

F

L

L

A

A

S

S

D

D

E

G

A

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 (= S139), Y165 (= Y152), K169 (= K156)
binding N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide: V123 (≠ L108), L127 (= L112), G171 (= G158), G174 (= G161), F175 (= F162)

P14697 Acetoacetyl-CoA reductase; EC 1.1.1.36 from Cupriavidus necator (strain ATCC 17699 / DSM 428 / KCTC 22496 / NCIMB 10442 / H16 / Stanier 337) (Ralstonia eutropha) (see 2 papers)
42% identity, 98% coverage: 4:244/245 of query aligns to 1:245/246 of P14697

query
sites
P14697

L

M

T

T

G

Q

R

R

K

I

A

A

L

Y

V

V

T

T

G

G

A

G

T

M

G
|
G

L
x
I

G

G

E

T

A

A

I

I

A

C

R

Q

A

R

L

L

H

A

A

K

Q

D

G

G

-

F

-

R

-

V

A

A

I

G

V

C

G
|
G

L

P

H

N

G

S

T

P

R
|
R

E

R

E

E

K

K

L

W

K

L

E

E

L
x
Q

A

Q

A

K

E

A

L

L

G

G

E

F

R

D

I

F

F

I

V

A

F

S

P

E

A
x
G

N
|
N

L
x
V

S

A

D

D

R

W

E

D

A

S

V

T

K

K

A

T

L

A

G

F

Q

D

K

K

A

V

E

K

E

S

E

E

M

V

G

G

G

E

V

V

D

D

I

V

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T
|
T

R

R

D
|
D

G

V

L

V

F

F

V

R

R
x
K

M

M

S

T

D

R

E

A

D

D

W

W

D

D

A

A

V

V

L

I

T

D

V

T

N

N

L

L

T

T

S

S

V

L

F

F

N

N

L

V

T

T

R

K

E

Q

L

V

T

I

H

D

P

G

M

M

M

A

R

D

R

R

R

G

N

W

G

G

R

R

I

I

I

V

N

N

I

I

T

S

S

S

I

V

V

N

G

G

V

Q

T

K

G

G

N
x
Q

P
x
F

G

G

Q
|
Q

A

T

N

N

Y

Y

C

S

A

T

S

A

K

K

A

A

G

G

L

L

I

H

G

G

F

F

S

T

K

M

S

A

L

L

A

A

Q

Q

E

E

I

V

A

A

S
x
T

R

K

N

G

V

V

T

T

V

V

N

N

C

T

I

V

A

S

P
|
P

G
|
G

F
x
Y

I
|
I

E

A

S

T

A

D

M

M

T

V

G

K

K

A

L

I

N
x
R

E

Q

K

D

Q

V

K

L

D

D

A

K

I

I

M

V

G

A

N

T

I

I

P

P

M

V

K

K

R

R

M

L

G

G

V

L

G

P

A

E

D

E

I

I

A

A

A

S

A

I

V

C

V

A

Y

W

L

L

A

S

S

S

D

E

E

E

A

S

A

G

Y

F

V

S

T

T

G

G

Q

A

T

D

L

F

H

S

V

L

N

N

G

G

M

L

A

H

M

M

GGI 13:15 (≠ GGL 16:18) binding NADP(+)
G35 (= G34) binding NADP(+)
R40 (= R39) binding NADP(+)
Q47 (≠ L46) mutation to L: 2.4-fold increase in activity. 2-fold decrease in affinity for NADPH and 2.8-fold decrease in affinity for acetoacetyl-CoA.
GNV 60:62 (≠ ANL 59:61) binding NADP(+)
NAGIT 88:92 (= NAGIT 87:91) binding NADP(+)
D94 (= D93) mutation to A: About 6% of wild-type activity.
K99 (≠ R98) mutation to A: Nearly loss of activity.
Q147 (≠ N146) mutation to A: About 30% of wild-type activity.
F148 (≠ P147) mutation to A: About 30% of wild-type activity.
Q150 (= Q149) mutation to A: About 20% of wild-type activity.
T173 (≠ S172) mutation to S: 3.5-fold increase in activity. 4-fold decrease in affinity for NADPH and 2.4-fold decrease in affinity for acetoacetyl-CoA.
PGYI 183:186 (≠ PGFI 182:185) binding NADP(+)
Y185 (≠ F184) mutation to A: Nearly loss of activity.
R195 (≠ N194) mutation to A: Nearly loss of activity.

3vzsB Crystal structure of phab from ralstonia eutropha in complex with acetoacetyl-coa and NADP (see paper)
42% identity, 98% coverage: 5:244/245 of query aligns to 5:248/249 of 3vzsB

query
sites
3vzsB

T

T

G

Q

R

R

K

I

A

A

L

Y

V

V

T

T

G
|
G

A

G

T

M

G

G

L
x
I

G

G

E

T

A

A

I

I

A

C

R

Q

A

R

L

L

H

A

A

K

Q

D

G

G

-

F

-

R

-

V

A

A

I

G

V

C

G
|
G

L

P

H

N

G

S

T

P

R
|
R

E

R

E

E

K

K

L

W

K

L

E

E

L

Q

A

Q

A

K

E

A

L

L

G

G

E

F

R

D

I

F

F

I

V

A

F

S

P

E

A
x
G

N
|
N

L
x
V

S

A

D

D

R

W

E

D

A

S

V

T

K

K

A

T

L

A

G

F

Q

D

K

K

A

V

E

K

E

S

E

E

M

V

G

G

G

E

V

V

D

D

I

V

L

L

V

I

N

N

A

A

G
|
G

I
|
I

T
|
T

R

R

D
|
D

G

V

L

V

F

F

V

R

R

K

M

M

S

T

D

R

E

A

D

D

W

W

D

D

A

A

V

V

L

I

T

D

V

T

N
|
N

L

L

T

T

S

S

V

L

F

F

N

N

L

V

T

T

R

K

E

Q

L

V

T

I

H

D

P

G

M

M

M

A

R

D

R

R

R

G

N

W

G

G

R

R

I

I

I

V

N

N

I

I

T

S

S
|
S

I

V

V

N

G

G

V

Q

T

K

G

G

N
x
Q

P
x
F

G

G

Q
|
Q

A

T

N

N

Y
|
Y

C

S

A

T

S

A

K
|
K

A

A

G

G

L

L

I

H

G

G

F

F

S

T

K

M

S

A

L

L

A

A

Q

Q

E

E

I

V

A

A

S

T

R

K

N

G

V

V

T

T

V

V

N

N

C

T

I

V

A

S

P
|
P

G
|
G

F
x
Y

I
|
I

E

A

S

T

A

D

M
|
M

T
x
V

G

K

K

A

L

I

N
x
R

E

Q

K

D

Q

V

K

L

D

D

A

K

I

I

M

V

G

A

N

T

I

I

P

P

M

V

K

K

R

R

M

L

G

G

V

L

G

P

A

E

D

E

I

I

A

A

A

S

A

I

V

C

V

A

Y

W

L

L

A

S

S

S

D

E

E

E

A

S

A

G

Y

F

V

S

T

T

G

G

Q

A

T

D

L

F

H

S

V

L

N

N

G

G

M

L

A

H

M

M

active site: N115 (= N111), S143 (= S139), Y156 (= Y152), K160 (= K156)
binding acetoacetyl-coenzyme a: D97 (= D93), Q150 (≠ N146), F151 (≠ P147), Q153 (= Q149), Y156 (= Y152), G187 (= G183), Y188 (≠ F184), R198 (≠ N194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), I18 (≠ L18), G38 (= G34), R43 (= R39), G63 (≠ A59), N64 (= N60), V65 (≠ L61), G93 (= G89), I94 (= I90), T95 (= T91), P186 (= P182), I189 (= I185), M193 (= M189), V194 (≠ T190)

Query Sequence

>WP_002963614.1 NCBI__GCF_000022745.1:WP_002963614.1
MFDLTGRKALVTGATGGLGEAIARALHAQGAIVGLHGTREEKLKELAAELGERIFVFPAN
LSDREAVKALGQKAEEEMGGVDILVNNAGITRDGLFVRMSDEDWDAVLTVNLTSVFNLTR
ELTHPMMRRRNGRIINITSIVGVTGNPGQANYCASKAGLIGFSKSLAQEIASRNVTVNCI
APGFIESAMTGKLNEKQKDAIMGNIPMKRMGVGADIAAAVVYLASDEAAYVTGQTLHVNG
GMAMI

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory