SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_047006795.1 NCBI__GCF_001010925.1:WP_047006795.1 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)

4k6fB X-ray crystal structure of a putative acetoacetyl-coa reductase from burkholderia cenocepacia bound to the co-factor NADP
53% identity, 99% coverage: 3:240/240 of query aligns to 2:245/245 of 4k6fB

query
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4k6fB

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active site: G12 (= G13), N102 (≠ D98), S138 (= S134), Y151 (= Y147), K155 (= K151)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), Y32 (= Y33), S33 (≠ A34), N36 (≠ D37), V58 (≠ F54), D59 (= D55), V60 (= V56), A87 (= A83), G88 (= G84), I89 (= I85)

5vmlA Crystal structure of acetoacetyl-coa reductase from burkholderia pseudomallei 1710b with bound NADP
52% identity, 99% coverage: 3:239/240 of query aligns to 3:244/245 of 5vmlA

query
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5vmlA

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active site: G13 (= G13), N111 (= N106), S139 (= S134), Y152 (= Y147), K156 (= K151)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G9 (= G9), G12 (≠ R12), G13 (= G13), I14 (= I14), C33 (≠ Y33), G34 (≠ A34), R39 (≠ K39), G59 (vs. gap), N60 (≠ D55), V61 (= V56), N87 (= N82), G89 (= G84), I90 (= I85), S139 (= S134), Y152 (= Y147), K156 (= K151), P182 (= P177), G183 (= G178), I185 (= I180)

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)
50% identity, 99% coverage: 3:239/240 of query aligns to 4:245/246 of P14697

query
sites
P14697

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GGI 13:15 (≠ RGI 12:14) binding NADP(+)
G35 (≠ A34) binding NADP(+)
R40 (≠ K39) binding NADP(+)
Q47 (≠ E46) 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 (≠ -DV 55:56) binding NADP(+)
NAGIT 88:92 (= NAGIT 82:86) binding NADP(+)
D94 (= D88) mutation to A: About 6% of wild-type activity.
K99 (= K93) mutation to A: Nearly loss of activity.
Q147 (= Q141) mutation to A: About 30% of wild-type activity.
F148 (≠ Y142) mutation to A: About 30% of wild-type activity.
Q150 (= Q144) mutation to A: About 20% of wild-type activity.
T173 (≠ R167) 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 (= PGYI 177:180) binding NADP(+)
Y185 (= Y179) mutation to A: Nearly loss of activity.
R195 (≠ P189) mutation to A: Nearly loss of activity.

3vzsB Crystal structure of phab from ralstonia eutropha in complex with acetoacetyl-coa and NADP (see paper)
50% identity, 99% coverage: 3:239/240 of query aligns to 7:248/249 of 3vzsB

query
sites
3vzsB

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active site: N115 (= N106), S143 (= S134), Y156 (= Y147), K160 (= K151)
binding acetoacetyl-coenzyme a: D97 (= D88), Q150 (= Q141), F151 (≠ Y142), Q153 (= Q144), Y156 (= Y147), G187 (= G178), Y188 (= Y179), R198 (≠ P189)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G9), I18 (= I14), G38 (≠ A34), R43 (≠ K39), G63 (vs. gap), N64 (≠ D55), V65 (= V56), G93 (= G84), I94 (= I85), T95 (= T86), P186 (= P177), I189 (= I180), M193 (= M184), V194 (= V185)

5vt6A Crystal structure of acetoacetyl-coa reductase from burkholderia pseudomallei 1710b complexed with NADP
51% identity, 99% coverage: 3:239/240 of query aligns to 2:244/245 of 5vt6A

query
sites
5vt6A

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R

R

I

I

V

V

N

N

I
|
I

G

G

S
|
S

I

V

N

N

G

G

Q

S

A

R

G

G

Q

A

Y

F

G

G

Q

Q

V

A

N

N

Y
|
Y

A

A

A

S

A

A

K
|
K

S

A

G

G

I

I

H

H

G

G

F

F

T

T

K

K

A

T

L

L

A

A

Q

L

E

E

G

T

A

A

R

K

Y

R

G

G

I

I

T

T

V

V

N

N

A

T

I

V

A

S

P
|
P

G

G

Y
|
Y

I
x
L

D

A

T
|
T

D

A

M

M

V

V

A

E

A

A

V

V

P

P

E

Q

N

D

V

V

L

L

E

E

-

A

K

K

I

I

V

L

A

P

K

Q

I

I

P

P

V

V

G

G

R

R

L

L

G

G

Q

R

A

P

H

D

E

E

I

V

A

A

R

A

G

L

V

I

S

A

F

F

L

L

A

C

S

S

E

D

D

D

G

A

A

G

F

F

V

V

T

T

G

G

S

A

T

D

M

L

S

A

I

I

N

N

G

G

Q

M

H

H

M

M

active site: G12 (= G13), D102 (= D98), S138 (= S134), Y151 (= Y147), K155 (= K151)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), G11 (≠ R12), G12 (= G13), L13 (≠ I14), H32 (≠ Y33), S33 (≠ A34), N36 (= N36), V58 (≠ F54), D59 (= D55), V60 (= V56), N86 (= N82), A87 (= A83), G88 (= G84), I89 (= I85), I136 (= I132), Y151 (= Y147), K155 (= K151), P181 (= P177), Y183 (= Y179), L184 (≠ I180), T186 (= T182)

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
46% identity, 99% coverage: 3:239/240 of query aligns to 5:242/243 of 1q7bA

query
sites
1q7bA

R

K

V

I

A

A

V

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G
|
G

I

I

G

G

R

R

A

A

I

I

C

A

E

E

M

T

L

L

K

A

D

A

D

R

G

G

F

A

T

K

V

V

V

I

A

G

T

T

Y

-

A

A

G
x
T

N

S

D

E

E

N

K

G

A

A

R

Q

A

A

F

I

T

S

D

D

E

Y

T

L

G

G

I

A

-

N

-

G

A

K

A

G

Y

L

K

M

F

L

D
x
N

V
|
V

G

T

D

D

F

P

D

A

A

S

V

I

Q

E

Q

S

G

V

C

L

A

E

K

K

I

I

A

R

E

A

E

E

V

F

G

G

P

E

I

V

D

D

V

I

V

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

G

N

T

L

L

L

M

M

K

R

M

M

S

K

Y

D

D

E

D
x
E

W

W

N

N

D

D

V

I

M

I

R

E

T

T

N

N

L

L

G

S

C

V

F

F

N

R

M

L

A

S

K

K

A

A

A

V

F

M

E

R

G

A

M

M

K

M

E

K

R

K

K

R

W

H

G

G

R

R

I

I

V

I

N

T

I

I

G

G

S
|
S

I

V

N

V

G

G

Q

T

A

M

G

G

Q

N

Y

G

G

G

Q
|
Q

V

A

N

N

Y
|
Y

A

A

K
|
K

S

A

G

G

I

L

H

I

G

G

F

F

T

S

K

K

A

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

Y

R

G

G

I

I

T

T

V

V

N

N

A

V

I

V

A

A

P
|
P

G
|
G

Y

F

I
|
I

D

E

T

T

D

D

M

M

V

T

A

R

A

A

V

L

P

S

E

D

N

D

V

Q

L

R

E

A

K

G

I

I

V

L

A

A

K

Q

I

V

P

P

V

A

G

G

R

R

L

L

G

G

Q

G

A

A

H

Q

E

E

I

I

A

A

R

N

G

A

V

V

S

A

F

F

L

L

A

A

S

S

E

D

D

E

G

A

A

A

F

Y

V

I

T

T

G

G

S
x
E

T
|
T

M

L

S

H

I

V

N

N

G

G

Q

M

H

Y

M

M

active site: G15 (= G13), E101 (≠ D98), S137 (= S134), Q147 (= Q144), Y150 (= Y147), K154 (= K151)
binding calcium ion: E232 (≠ S229), T233 (= T230)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (≠ T11), R14 (= R12), T36 (≠ G35), N58 (≠ D55), V59 (= V56), N85 (= N82), A86 (= A83), G87 (= G84), I88 (= I85), S137 (= S134), Y150 (= Y147), K154 (= K151), P180 (= P177), G181 (= G178), I183 (= I180)

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)
45% identity, 99% coverage: 3:239/240 of query aligns to 9:246/247 of 3op4A

query
sites
3op4A

R

K

V

V

A

A

V

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G

G

I
|
I

G

G

R

K

A

A

I

I

C

A

E

E

M

L

L

L

K

A

D

E

D

R

G

G

F

A

T

K

V

V

V

I

A

G

T

T

Y

-

A

A

G
x
T

N

S

D

E

E

S

K

G

A

A

R

Q

A

A

F

I

T

S

D

D

E

Y

T

L

G

G

I

D

-

N

-

G

A

K

A

G

Y

M

K

A

F

L

D
x
N

V
|
V

G

T

D

N

F

P

D

E

A

S

V

I

Q

E

Q

A

G

V

C

L

A

K

K

A

I

I

A

T

E

D

E

E

V

F

G

G

P

G

I

V

D

D

V

I

V

L

V

V

N

N

N
|
N

A
|
A

G

G

I
|
I

T

T

R

R

D

D

G

N

T

L

L

L

M

M

K

R

M

M

S

K

Y

E

D

E

W

W

N

S

D

D

V

I

M

M

R

E

T

T

N

N

L

L

G

T

G

S

C

I

F

F

N

R

M

L

A

S

K

K

A

A

A

V

F

L

E

R

G

G

M

M

K

M

E

K

R

K

K

R

W

Q

G

G

R

R

I

I

V

I

N

N

I
x
V

G

G

S
|
S

I

V

N

V

G

G

Q

T

A

M

G

G

Q

N

Y

A

G

G

Q

Q

V

A

N

N

Y
|
Y

A

A

K
|
K

S

A

G

G

I

V

H

I

G

G

F

F

T

T

K

K

A

S

L

M

A

A

Q

R

E

E

G

V

A

A

R

S

Y

R

G

G

I

V

T

T

V

V

N

N

A

T

I

V

A

A

P
|
P

G
|
G

Y

F

I
|
I

D

E

T
|
T

D

D

M
|
M

V

T

A

K

A

A

V

L

P

N

E

D

N

E

V

Q

L

R

E

T

K

A

I

T

V

L

A

A

K

Q

I

V

P

P

V

A

G

G

R

R

L

L

G

G

Q

D

A

P

H

R

E

E

I

I

A

A

R

S

G

A

V

V

S

A

F

F

L

L

A

A

S

S

E

P

D

E

G

A

A

A

F

Y

V

I

T

T

G

G

S

E

T

T

M

L

S

H

I

V

N

N

G

G

Q

M

H

Y

M

M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G9), S17 (≠ T11), R18 (= R12), I20 (= I14), T40 (≠ G35), N62 (≠ D55), V63 (= V56), N89 (= N82), A90 (= A83), I92 (= I85), V139 (≠ I132), S141 (= S134), Y154 (= Y147), K158 (= K151), P184 (= P177), G185 (= G178), I187 (= I180), T189 (= T182), M191 (= M184)

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)
46% identity, 99% coverage: 3:239/240 of query aligns to 6:243/244 of P0AEK2

query
sites
P0AEK2

R

K

V

I

A

A

V

L

V

V

T

T

G
|
G

G
x
A

T
x
S

R
|
R

G

G

I

I

G

G

R

R

A

A

I

I

C

A

E

E

M

T

L

L

K

A

D

A

D

R

G

G

F

A

T

K

V

V

V

I

A

G

T

T

Y

-

A

A

G
x
T

N

S

D

E

E

N

K

G

A

A

R

Q

A

A

F

I

T

S

D

D

E

Y

T

L

G

G

I

A

-

N

-

G

A

K

A

G

Y

L

K

M

F

L

D
x
N

V
|
V

G

T

D

D

F

P

D

A

A

S

V

I

Q

E

Q

S

G

V

C

L

A

E

K

K

I

I

A

R

E

A

E

E

V

F

G

G

P

E

I

V

D

D

V

I

V

L

V

V

N

N

N
|
N

A

A

G

G

I

I

T

T

R

R

D

D

G

N

T

L

L

L

M

M

K

R

M

M

S

K

Y

D

D

E

W

W

N

N

D

D

V

I

M

I

R

E

T

T

N

N

L

L

G

S

C

V

F

F

N

R

M

L

A

S

K

K

A

A

A

V

F

M

E

R

G

A

M

M

K

M

E

K

R

K

K

R

W

H

G

G

R

R

I

I

V

I

N

T

I

I

G

G

S

S

I

V

N

V

G

G

Q

T

A

M

G

G

Q

N

Y

G

G

G

Q

Q

V

A

N

N

Y
|
Y

A
|
A

K
|
K

S

A

G

G

I

L

H

I

G

G

F

F

T

S

K

K

A

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

Y

R

G

G

I

I

T

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

Y

F

I
|
I

D

E

T

T

D

D

M

M

V

T

A

R

A

A

V

L

P

S

E

D

N

D

V

Q

L

R

E

A

K

G

I

I

V

L

A

A

K

Q

I

V

P

P

V

A

G

G

R

R

L

L

G

G

Q

G

A

A

H

Q

E

E

I

I

A

A

R

N

G

A

V

V

S

A

F

F

L

L

A

A

S

S

E

D

D

E

G

A

A

A

F

Y

V

I

T

T

G

G

S
x
E

T

T

M

L

S

H

I

V

N

N

G

G

Q

M

H

Y

M

M

GASR 12:15 (≠ GGTR 9:12) binding NADP(+)
T37 (≠ G35) binding NADP(+)
NV 59:60 (≠ DV 55:56) binding NADP(+)
N86 (= N82) binding NADP(+)
Y151 (= Y147) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (= YAAAK 147:151) binding NADP(+)
A154 (= A150) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K151) mutation to A: Defect in the affinity for NADPH.
I184 (= I180) binding NADP(+)
E233 (≠ S229) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
46% identity, 99% coverage: 3:239/240 of query aligns to 5:242/243 of 1q7cA

query
sites
1q7cA

R

K

V

I

A

A

V

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G
|
G

I

I

G

G

R

R

A

A

I

I

C

A

E

E

M

T

L

L

K

A

D

A

D

R

G

G

F

A

T

K

V

V

V

I

A

G

T

T

Y

-

A
|
A

G
x
T

N

S

D

E

E

N

K

G

A

A

R

Q

A

A

F

I

T

S

D

D

E

Y

T

L

G

G

I

A

-

N

-

G

A

K

A

G

Y

L

K

M

F
x
L

D
x
N

V
|
V

G

T

D

D

F

P

D

A

A

S

V

I

Q

E

Q

S

G

V

C

L

A

E

K

K

I

I

A

R

E

A

E

E

V

F

G

G

P

E

I

V

D

D

V

I

V

L

V

V

N

N

A

A

G
|
G

I
|
I

T

T

R

R

D

D

G

N

T

L

L

L

M

M

K

R

M

M

S

K

Y

D

D

E

W

W

N

N

D

D

V

I

M

I

R

E

T

T

N

N

L

L

G

S

C

V

F

F

N

R

M

L

A

S

K

K

A

A

A

V

F

M

E

R

G

A

M

M

K

M

E

K

R

K

K

R

W

H

G

G

R

R

I

I

V

I

N

T

I

I

G

G

S
|
S

I

V

N

V

G

G

Q

T

A

M

G

G

Q

N

Y

G

G

G

Q
|
Q

V

A

N

N

Y
x
F

A

A

K
|
K

S

A

G

G

I

L

H

I

G

G

F

F

T

S

K

K

A

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

Y

R

G

G

I

I

T

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

Y

F

I

I

D

E

T

T

D

D

M

M

V

T

A

R

A

A

V

L

P

S

E

D

N

D

V

Q

L

R

E

A

K

G

I

I

V

L

A

A

K

Q

I

V

P

P

V

A

G

G

R

R

L

L

G

G

Q

G

A

A

H

Q

E

E

I

I

A

A

R

N

G

A

V

V

S

A

F

F

L

L

A

A

S

S

E

D

D

E

G

A

A

A

F

Y

V

I

T

T

G

G

S

E

T

T

M

L

S

H

I

V

N

N

G

G

Q

M

H

Y

M

M

active site: G15 (= G13), S137 (= S134), Q147 (= Q144), F150 (≠ Y147), K154 (= K151)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (≠ T11), R14 (= R12), A35 (= A34), T36 (≠ G35), L57 (≠ F54), N58 (≠ D55), V59 (= V56), G87 (= G84), I88 (= I85)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
48% identity, 99% coverage: 3:239/240 of query aligns to 13:253/254 of 4ag3A

query
sites
4ag3A

R

K

V

V

A

A

V

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G
|
G

I
|
I

G

G

R

Q

A

A

I

I

C

A

E

L

M

E

L

L

K

G

D

R

D

L

G

G

F

A

T

V

V

V

V

I

-

G

-

T

A

A

T
|
T

Y

S

A

A

G

S

N

G

D

A

E

E

K

K

A

I

R

A

A

E

F

T

T

L

D

K

E

A

T

N

G

G

I

V

-

E

-

G

A

A

A

G

Y

L

K

V

F
x
L

D
|
D

V
|
V

G

S

D

S

F

D

D

E

A

S

V

V

Q

A

G

T

C

L

A

E

K

H

I

I

A

Q

E

Q

E

H

V

L

G

G

P

Q

I

P

D

L

V

I

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

G

N

T

L

L

L

M

V

K

R

M

M

S

K

Y

D

D

D

D

E

W

W

N

F

D

D

V

V

M

V

R

N

T

T

N

N

L

L

G

N

G

S

C

L

F

Y

N

R

M

L

A

S

K

K

A

A

A

V

F

L

E

R

G

G

M

M

K

T

E

K

R

A

K

R

W

W

G

G

R

R

I

I

V

I

N

N

I
|
I

G

G

S
|
S

I

V

N

V

G

G

Q

A

A

M

G

G

Q

N

Y

A

G

G

Q

Q

V

T

N

N

Y
|
Y

A

A

K
|
K

S

A

G

G

I

L

H

E

G

G

F

F

T

T

K

R

A

A

L

L

A

A

Q

R

E

E

G

V

A

G

R

S

Y

R

G

A

I

I

T

T

V

V

N

N

A

A

I

V

A

A

P
|
P

G
|
G

Y
x
F

I
|
I

D

D

T
|
T

D

D

M
|
M

V
x
T

A

R

A

E

V

L

P

P

E

E

N

A

V

Q

L

R

E

E

K

A

I

L

V

L

A

G

K

Q

I

I

P

P

V

L

G

G

R

R

L

L

G

G

Q

Q

A

A

H

E

E

E

I

I

A

A

R

K

G

V

V

V

S

G

F

F

L

L

A

A

S

S

E

D

D

G

G

A

A

A

F

Y

V

V

T

T

G

G

S

A

T

T

M

V

S

P

I

V

N

N

G

G

Q

M

H

Y

M

M

active site: G23 (= G13), S148 (= S134), Y161 (= Y147), K165 (= K151)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G9), S21 (≠ T11), R22 (= R12), G23 (= G13), I24 (= I14), T44 (= T32), L68 (≠ F54), D69 (= D55), V70 (= V56), N96 (= N82), A97 (= A83), I146 (= I132), S148 (= S134), Y161 (= Y147), K165 (= K151), P191 (= P177), G192 (= G178), F193 (≠ Y179), I194 (= I180), T196 (= T182), M198 (= M184), T199 (≠ V185)

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)
46% identity, 99% coverage: 3:239/240 of query aligns to 6:243/244 of P0A2C9

query
sites
P0A2C9

R

K

V

I

A

A

V

L

V

V

T

T

G

G

G

A

T

S

R

R

G

G

I

I

G

G

R

R

A

A

I

I

C

A

E

E

M

T

L

L

K

V

D

A

D

R

G

G

F

A

T

K

V

V

V

I

A

G

T

T

Y

-

A

A

G

T

N

S

D

E

E

N

K

G

A

A

R

K

A

N

F

I

T

S

D

D

E

Y

T

L

G

G

I

A

-

N

-

G

A

K

A

G

Y

L

K

M

F

L

D

N

V

V

G

T

D

D

F

P

D

A

A

S

V

I

Q

E

Q

S

G

V

C

L

A

E

K

N

I

I

A

R

E

A

E

E

V

F

G

G

P

E

I

V

D

D

V

I

V

L

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

G

N

T

L

L

L

M

M

K

R

M

M

S

K

Y

D

D

D

D

E

W

W

N

N

D

D

V

I

M

I

R

E

T

T

N

N

L

L

G

S

C

V

F

F

N

R

M

L

A

S

K

K

A

A

A

V

F

M

E

R

G

A

M
|
M

K

M

E

K

R

K

K

R

W

C

G

G

R

R

I

I

V

I

N

T

I

I

G

G

S

S

I

V

N

V

G

G

Q

T

A

M

G

G

Q

N

Y

A

G

G

Q

Q

V

A

N

N

Y

Y

A

A

K

K

S

A

G

G

I

L

H

I

G

G

F

F

T

S

K

K

A

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

Y

R

G

G

I

I

T

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

Y

F

I

I

D

E

T

T

D

D

M

M

V

T

A

R

A

A

V

L

P

S

E

D

N

D

V

Q

L

R

E

A

K

G

I

I

V

L

A

A

K

Q

I

V

P

P

V

A

G

G

R

R

L

L

G

G

Q

G

A

A

H

Q

E

E

I

I

A

A

R

S

G

A

V

V

S

A

F

F

L

L

A
|
A

S
|
S

E

D

D

E

G

A

A

S

F

Y

V

I

T

T

G

G

S

E

T

T

M

L

S

H

I

V

N

N

G

G

Q

M

H

Y

M

M

M125 (= M121) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (= A219) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (= S220) 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)
45% identity, 99% coverage: 3:239/240 of query aligns to 6:243/244 of 6t77A

query
sites
6t77A

R

K

V

I

A

A

V

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G
|
G

I

I

G

G

R

R

A

A

I

I

C

A

E

E

M

T

L

L

K

V

D

A

D

R

G

G

F

A

T

K

V

V

V

I

A

G

T

T

Y

-

A

A

G
x
T

N

S

D

E

E

S

K

G

A

A

R

Q

A

A

F

I

T

S

D

D

E

Y

T

L

G

G

I

A

-

N

-

G

A

K

A

G

Y

L

K

M

F
x
L

D
x
N

V
|
V

G

T

D

D

F

P

D

A

A

S

V

I

Q

E

Q

S

G

V

C

L

A

E

K

N

I

V

A

R

E

A

E

E

V

F

G

G

P

E

I

V

D

D

V

I

V

L

V

V

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

G

N

T

L

L

L

M

M

K

R

M

M

S

K

Y

D

D

D

D

E

W

W

N

N

D

D

V

I

M

I

R

E

T

T

N

N

L

L

G

S

C

V

F

F

N

R

M

L

A

S

K

K

A

A

A

V

F

M

E

R

G

A

M

M

K

M

E

K

R

K

K

R

W

H

G

G

R

R

I

I

V

I

N

T

I

I

G

G

S
|
S

I

V

N

V

G

G

Q

T

A

M

G

G

Q

N

Y

A

G

G

Q

Q

V

A

N

N

Y
|
Y

A

A

K

K

S

A

G

G

I

L

H

I

G

G

F

F

T

S

K

K

A

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

Y

R

G

G

I

I

T

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

Y

F

I

I

D

E

T

T

D

D

M

M

V

T

A

R

A

A

V

L

P

T

E

D

N

E

V

Q

L

R

E

A

K

G

I

T

V

L

A

A

K

A

I

V

P

P

V

A

G

G

R

R

L

L

G

G

Q

T

A

P

H

N

E

E

I

I

A

A

R

S

G

A

V

V

S

A

F

F

L

L

A

A

S

S

E

D

D

E

G

A

A

S

F

Y

V

I

T

T

G

G

S

E

T

T

M

L

S

H

I

V

N

N

G

G

Q

M

H

Y

M

M

active site: G16 (= G13), S138 (= S134), Y151 (= Y147)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G9), S14 (≠ T11), R15 (= R12), T37 (≠ G35), L58 (≠ F54), N59 (≠ D55), V60 (= V56), A87 (= A83), G88 (= G84), I89 (= I85)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
44% identity, 99% coverage: 3:239/240 of query aligns to 9:242/243 of 4i08A

query
sites
4i08A

R

K

V

V

A

A

V

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G
|
G

I
|
I

G

G

R

K

A

A

I

I

C

A

E

E

M

L

L

L

K

A

D

E

D

R

G

G

F

A

T

K

V

V

V

I

A

G

T

T

Y

-

A

A

G
x
T

N

S

D

E

E

S

K

G

A

A

R

Q

A

A

F

I

T

S

D

D

E

Y

T

L

G

G

I

D

-

N

-

G

A

K

A

G

Y

M

K

A

F

L

D
x
N

V
|
V

G

T

D

N

F

P

D

E

A

S

V

I

Q

E

Q

A

G

V

C

L

A

K

K

A

I

I

A

T

E

D

E

E

V

F

G

G

P

G

I

V

D

D

V

I

V

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

G

N

T

L

L

L

M

M

K

R

M

M

S

K

Y

E

D

E

W

W

N

S

D

D

V

I

M

M

R

E

T

T

N
|
N

L

L

G

T

G

S

C

I

F

F

N

R

M

L

A

S

K

K

A

A

A

V

F

L

E

R

G

G

M

M

K

M

E

K

R

K

K

R

W

Q

G

G

R

R

I

I

V

I

N

N

I

V

G
|
G

S
|
S

I

V

N

V

G

G

Q

T

A

M

G

G

Q

N

Y

A

G

G

Q
|
Q

V

A

N

N

Y
|
Y

A

A

K
|
K

S

A

G

G

I

V

H

I

G

G

F

F

T

T

K

K

A

S

L

M

A

A

Q

R

E

E

G

V

A

A

R

S

Y

R

G

G

I

V

T

T

V

V

N

N

A

T

I

V

A

A

P
|
P

G
|
G

Y

F

I

I

D

E

T
|
T

D

D

M

M

V

-

A

-

V

-

P

N

E

D

N

E

V

Q

L

R

E

T

K

A

I

T

V

L

A

A

K

Q

I

V

P

P

V

A

G

G

R

R

L

L

G

G

Q

D

A

P

H

R

E

E

I

I

A

A

R

S

G

A

V

V

S

A

F

F

L

L

A

A

S

S

E

P

D

E

G

A

A

A

F

Y

V

I

T

T

G

G

S

E

T

T

M

L

S

H

I

V

N

N

G

G

Q

M

H

Y

M

M

active site: G19 (= G13), N113 (= N106), S141 (= S134), Q151 (= Q144), Y154 (= Y147), K158 (= K151)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G9), S17 (≠ T11), R18 (= R12), I20 (= I14), T40 (≠ G35), N62 (≠ D55), V63 (= V56), N89 (= N82), A90 (= A83), G140 (= G133), S141 (= S134), Y154 (= Y147), K158 (= K151), P184 (= P177), G185 (= G178), T189 (= T182)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
43% identity, 100% coverage: 1:239/240 of query aligns to 3:246/246 of 3osuA

query
sites
3osuA

M

M

A

T

R

K

V

S

A

A

V

L

V

V

T

T

G

G

G

A

T

S

R

R

G
|
G

I

I

G

G

R

R

A

S

I

I

C

A

E

L

M

Q

L

L

K

A

D

E

G

G

F

Y

T

N

V

V

V

A

A

V

T

N

Y

Y

A

A

G

G

N

S

D

K

E

E

K

K

A

A

R

E

A

A

F

V

T

V

D

E

E

E

-

I

-

K

-

A

T

K

G

G

I

V

A

D

A

S

Y

F

K

A

F

I

-

Q

-

A

D

N

V

V

G

A

D

D

F

A

D

D

A

E

V

V

Q

K

Q

A

G

M

C

I

A

K

K

E

I

V

A

V

E

S

E

Q

V

F

G

G

P

S

I

L

D

D

V

V

V

L

V

V

N

N

N
|
N

A

A

G

G

I

I

T

T

R

R

D

D

G

N

T

L

L

L

M

M

K

R

M

M

S

K

Y

E

D

Q

D

E

W

W

N

D

D

D

V

V

M

I

R

D

T

T

N

N

L

L

G

K

G

G

C

V

F

F

N

N

M

C

A

I

K

Q

A

K

A

A

F

T

E

P

G

Q

M

M

K

L

E

R

R

Q

K

R

W

S

G

G

R

A

I

I

V

I

N

N

I

L

G

S

S
|
S

I

V

N

V

G

G

Q

A

A

V

G

G

Q

N

Y

P

G

G

Q
|
Q

V

A

N

N

Y
|
Y

A

V

A

A

A

T

K
|
K

S

A

G

G

I

V

H

I

G

G

F

L

T

T

K

K

A

S

L

A

A

A

Q

R

E

E

G

L

A

A

R

S

Y

R

G

G

I

I

T

T

V

V

N

N

A

A

I

V

A

A

P

P

G

G

Y

F

I

I

D

V

T

S

D

D

M

M

V

T

A

D

A

A

V

L

P

S

E

D

N

E

V

L

L

K

E

E

K

Q

I

M

V

L

A

T

K

Q

I

I

P

P

V

L

G

A

R

R

L

F

G

G

Q

Q

A

D

H

T

E

D

I

I

A

A

R

N

G

T

V

V

S

A

F

F

L

L

A

A

S

S

E

D

D

K

G

A

A

K

F

Y

V

I

T

T

G

G

S

Q

T

T

M

I

S

H

I

V

N

N

G

G

Q

M

H

Y

M

M

active site: G15 (= G13), S141 (= S134), Q151 (= Q144), Y154 (= Y147), K158 (= K151)
binding magnesium ion: N89 (= N82), K158 (= K151)

9clyB Crystal structure of the 3-ketoacyl-(acyl-carrier-protein) reductase, cylg, from streptococcus agalactiae 2603v/r
48% identity, 98% coverage: 3:236/240 of query aligns to 4:238/242 of 9clyB

query
sites
9clyB

R

K

V

V

A

A

V

I

V

V

T

T

G
|
G

G

G

T

T

R
|
R

G
|
G

I
|
I

G

G

R

R

A

A

I

I

C

T

E

K

M

E

L

L

K

Y

D

K

D

E

G

G

F

Y

T

K

V

V

V

I

A

A

T

I

Y
|
Y

A
x
N

G
x
S

N

N

D

D

E

A

K

K

A

A

R

R

A

A

F

L

T

Q

D

E

E

E

T

L

-

P

G

K

I

L

A

D

A

V

Y

Y

K

K

F
x
C

D
x
N

V
x
I

G

S

D

D

F

A

D

K

A

A

V

V

Q

Q

Q

K

G

L

C

V

A

T

K

K

I

I

A

F

E

R

E

E

V

Y

G

G

P

G

I

I

D

D

V

C

V

L

V

V

N

N

N
|
N

A

A

G

G

I

I

T

V

R

R

D

D

G

G

T

F

L

F

M

L

K

M

M

M

S

S

Y

K

D

E

D

K

W

W

N

M

D

D

V

V

M

I

R

N

T

I

N

N

L

I

G

M

G

G

C

L

F

V

N

N

M

M

A

S

K

K

A

A

A

V

F

L

E

K

G

I

M

M

K

K

-

A

E

K

R

R

K

I

W

Q

G

G

R

K

I

V

V

I

N

N

I
|
I

G

S

S
|
S

I

T

N

S

G

G

Q

I

A

A

G

G

Q

Q

Y

I

G

G

Q

Q

V

A

N

N

Y
|
Y

A

S

A

A

A

T

K
|
K

S

G

G

A

I

I

H

I

G

S

F

I

T

T

K

K

A

T

L

L

A

A

Q

K

E

E

G

F

A

A

R

S

Y

D

G

G

I

I

T

T

V

I

N

N

A

C

I

V

A

S

P

P

G
|
G

Y

F

I
|
I

D

E

T
|
T

D

D

M
|
M

V

T

A

N

A

E

V

L

P

-

E

Q

N

N

V

K

L

E

E

E

K

L

I

K

V

E

A

H

K

L

I

I

P

P

V

L

G

K

R

R

L

F

G

G

Q

Q

A

P

H

E

E

E

I

V

A

A

R

W

G

L

V

V

S

S

F

F

L

L

A

A

S

S

E

E

D

K

G

A

A

N

F

Y

V

I

T

T

G

G

S

K

T

N

M

I

S

V

I

I

N

D

G

G

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G10 (= G9), R13 (= R12), G14 (= G13), I15 (= I14), Y34 (= Y33), N35 (≠ A34), S36 (≠ G35), C56 (≠ F54), N57 (≠ D55), I58 (≠ V56), N84 (= N82), I135 (= I132), S137 (= S134), Y150 (= Y147), K154 (= K151), G181 (= G178), I183 (= I180), T185 (= T182), M187 (= M184)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
44% identity, 99% coverage: 3:239/240 of query aligns to 5:242/243 of 7emgB

query
sites
7emgB

R

K

V

I

A

V

V

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G

G

I

I

G

G

R

R

A

A

I

I

C

A

E

E

M

T

L

F

K

V

D

A

D

R

G

G

F

A

T

K

V

V

V

I

A

G

T

T

Y

-

A

A

G
x
T

N

S

D

E

E

S

K

G

A

A

R

E

A

A

F

I

T

S

D

G

E

Y

T

L

G

G

I

A

-

N

-

G

A

K

A

G

Y

F

K

M

F

L

D
x
N

V
|
V

G

K

D

D

F

A

D

Q

A

S

V

I

Q

D

Q

S

G

V

C

L

A

A

K

S

I

I

A

R

E

A

E

E

V

F

G

G

P

E

I

I

D

D

V

I

V

L

V

V

N

N

A

A

G

G

I
|
I

T

T

R

R

D

D

G

N

T

L

L

L

M

M

K

R

M

M

S

K

Y

D

D

D

D

E

W

W

N

E

D

D

V

I

M

L

R

D

T

T

N

N

L

L

G

T

G

S

C

V

F

F

N

R

M

L

A

S

K

K

A

A

A

V

F

M

E

C

G

A

M

M

K

M

E

K

R

K

K

R

W

F

G

G

R

R

I

I

V

I

N

T

I

I

G

G

S

S

I

V

N

V

G

G

Q

T

A

M

G

G

Q

N

Y

A

G

G

Q

Q

V

A

N

N

Y

Y

A

A

K

K

S

A

G

G

I

L

H

I

G

G

F

F

T

S

K

K

A

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

Y

R

G

G

I

I

T

T

V

V

N

N

A

V

I

V

A

A

P

P

G

G

Y

Y

I

I

D

E

T

T

D

D

M

M

V

T

A

R

A

A

V

L

P

T

E

D

N

D

V

Q

L

R

E

A

K

G

I

I

V

L

A

S

K

S

I

V

P

P

V

A

G

N

R

R

L

P

G

G

Q

D

A

A

H

K

E

E

I

I

A

A

R

S

G

A

V

V

S

A

F

F

L

L

A

A

S

S

E

D

D

E

G

A

A

G

F

Y

V

I

T

T

G

G

S

E

T

T

M

L

S

H

I

V

N

N

G

G

Q

M

H

Y

M

M

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (≠ T11), R14 (= R12), T36 (≠ G35), N58 (≠ D55), V59 (= V56), I88 (= I85)

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)
48% identity, 99% coverage: 3:239/240 of query aligns to 19:254/255 of 4bo4C

query
sites
4bo4C

R

K

V

V

A

A

V

L

V

V

T

T

G

G

G

A

T

S

R

R

G
|
G

I

I

G

G

R

Q

A

A

I

I

C

A

E

L

M

E

L

L

K

G

D

R

D

L

G

G

F

A

T

V

V

V

V

I

-

G

-

T

A

A

T

T

Y

S

A

A

G

S

N

G

D

A

E

E

K

K

A

I

R

A

A

E

F

T

T

L

D

K

E

A

T

N

G

G

I

V

-

E

-

G

A

A

A

G

Y

L

K

V

F

L

D

D

V

V

G

S

D

S

F

D

D

E

A

S

V

V

Q

A

G

T

C

L

A

E

K

H

I

I

A

Q

E

Q

E

H

V

L

G

G

P

Q

I

P

D

L

V

I

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

G

N

T

L

L

L

M

V

K

R

M

M

S

K

Y

D

D

D

D

E

W

W

N

F

D

D

V

V

M
x
V

R

N

T

T

N

N

L
|
L

G

N

G

S

C

L

F

Y

N

R

M

L

A

S

K

K

A

A

A

V

F

L

E

R

G

G

M

M

K

T

E

K

R

A

K

R

W

W

G

G

R

R

I

I

V

I

N

N

I

I

G

G

S
|
S

I

V

N

V

G

G

Q

-

A

-

G

G

Q

N

Y

A

G

G

Q

Q

V

T

N

N

Y
|
Y

A

A

K
|
K

S

A

G
|
G

I

L

H

E

G
|
G

F
|
F

T

T

K

R

A

A

L

L

A

A

Q

R

E

E

G

V

A

G

R

S

Y

R

G

A

I

I

T

T

V

V

N

N

A

A

I

V

A

A

P

P

G

G

Y

F

I

I

D

D

T

T

D

D

M

M

V

-

A

-

V

T

P

R

E

E

N

A

V

Q

L

R

E

E

K

A

I

L

V

L

A

G

K

Q

I

I

P

P

V

L

G

G

R

R

L

L

G

G

Q

Q

A

A

H

E

E

E

I

I

A

A

R

K

G

V

V

V

S

G

F

F

L

L

A

A

S

S

E

D

D

G

G

A

A

A

F

Y

V

V

T

T

G

G

S

A

T

T

M

V

S

P

I

V

N

N

G

G

Q

M

H

Y

M

M

active site: G29 (= G13), S154 (= S134), Y165 (= Y147), K169 (= K151)
binding N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide: V123 (≠ M103), L127 (= L107), G171 (= G153), G174 (= G156), F175 (= F157)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
41% identity, 99% coverage: 3:239/240 of query aligns to 6:243/244 of 6t62A

query
sites
6t62A

R

K

V

V

A

A

V

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G
|
G

I

I

G

G

R

A

A

A

I

I

C

A

E

Q

M

Q

L

L

K

I

D

Q

D

D

G

G

F

Y

T

F

V

V

A

G

T

T

Y

-

A
|
A

G
x
T

N

S

D

E

E

S

K

G

A

A

R

Q

A

K

F

L

T

T