SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_010443651.1 NCBI__GCF_000192475.1:WP_010443651.1 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
48% identity, 99% coverage: 3:239/240 of query aligns to 2:244/245 of 4k6fB

query
sites
4k6fB

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active site: G12 (= G13), N102 (≠ Q98), S138 (= S134), Y151 (= Y147), K155 (= K151)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), Y32 (= Y33), S33 (≠ A34), N36 (≠ D37), V58 (≠ W54), D59 (≠ N55), V60 (= V56), A87 (= A83), G88 (= G84), I89 (= I85)

5vmlA Crystal structure of acetoacetyl-coa reductase from burkholderia pseudomallei 1710b with bound NADP
50% identity, 97% coverage: 3:235/240 of query aligns to 3:240/245 of 5vmlA

query
sites
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 (≠ A39), G59 (≠ W54), N60 (= N55), V61 (= V56), N87 (= N82), G89 (= G84), I90 (= I85), S139 (= S134), Y152 (= Y147), K156 (= K151), P182 (= P177), G183 (= G178), I185 (= I180)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
46% identity, 100% coverage: 1:239/240 of query aligns to 3:246/246 of 3osuA

query
sites
3osuA

M

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

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)
47% identity, 97% coverage: 3:235/240 of query aligns to 4:241/246 of P14697

query
sites
P14697

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GGI 13:15 (≠ RGI 12:14) binding NADP(+)
G35 (≠ A34) binding NADP(+)
R40 (≠ A39) 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 (≠ -NV 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 (= F142) 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)
47% identity, 97% coverage: 3:235/240 of query aligns to 7:244/249 of 3vzsB

query
sites
3vzsB

R

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S

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N

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G

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Q

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K

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G

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F

A

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Y

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K

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A

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R

T

A

K

G

G

I

V

T

T

A

V

N

N

A

T

I

V

C

S

P
|
P

G
|
G

Y
|
Y

I
|
I

A

A

T

T

E

D

M
|
M

V
|
V

M

K

A

A

V

I

P
x
R

E

Q

K

D

V

V

R

L

E

D

S

K

I

I

I

V

G

A

Q

T

I

I

P

P

A

V

G

K

R

R

L

L

G

G

E

L

P

P

E

E

I

I

A

A

R

S

C

I

V

C

A

A

F

W

L

L

A

S

S

S

D

E

S

S

Q

G

F

F

I

S

N

T

G

G

S

A

T

D

I

F

S

S

A

L

N

N

G

G

active site: N115 (= N106), S143 (= S134), Y156 (= Y147), K160 (= K151)
binding acetoacetyl-coenzyme a: D97 (= D88), Q150 (= Q141), F151 (= F142), Q153 (= Q144), Y156 (= Y147), G187 (= G178), Y188 (= Y179), R198 (≠ P189)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G9), I18 (= I14), G38 (≠ A34), R43 (≠ A39), G63 (vs. gap), N64 (= N55), V65 (= V56), G93 (= G84), I94 (= I85), T95 (= T86), P186 (= P177), I189 (= I180), M193 (= M184), V194 (= V185)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
46% identity, 99% coverage: 3:239/240 of query aligns to 2:239/239 of 3sj7A

query
sites
3sj7A

R

K

T

S

A

A

L

L

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

R

A

S

I

I

S

A

K

L

A

Q

L

L

K

A

A

E

E

E

G

G

Y

Y

N

N

V

V

A

A

A

V

T
x
N

Y
|
Y

A
|
A

G
|
G

N
x
S

D

K

E

E

A

K

A

A

A

E

K

A

F

V

T

V

E

E

-

I

-

K

-

A

T

K

G

G

I

V

N

D

T

S

Y

F

-

A

-

I

K

Q

W
x
A

N
|
N

V
|
V

A

A

D

D

Y

A

D

D

E

E

S

V

K

K

A

A

G

M

I

I

E

K

K

E

V

V

E

V

A

S

E

Q

V

F

G

G

P

S

I

L

D

D

I

V

V

L

V

V

A

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

A

N

P

L

F

L

H

M

K

R

M

M

T

K

P

E

E

Q

Q

E

W

W

H

D

Q

D

V

V

I

I

D

D

T
|
T

N

N

L

L

T

K

G

G

V

V

F

F

N

N

T

C

V

I

H

Q

P

K

V

A

W

T

P

P

G

Q

M

M

R

L

E

R

R

Q

K

R

F

S

G

G

R

A

I

I

V

N

I

L

S

S

S
|
S

I

V

N

V

G

G

Q

A

K

V

G

G

Q

N

F

P

A

G

Q
|
Q

V

A

N

N

Y
|
Y

A

V

A

A

T

T

K
|
K

A

A

G

G

D

V

L

I

G

G

I

L

V

T

K

K

S

S

L

A

A

A

Q

R

E

E

G

L

A

A

R

S

A

R

G

G

I

I

T

T

A

V

N

N

A

A

I

V

C

A

P
|
P

G
|
G

Y

F

I

I

A

V

T

S

E

D

M

M

V

-

M

-

A

-

V

-

P

T

E

D

K

E

V

L

R

K

E

E

S

Q

I

M

I

L

G

T

Q

Q

I

I

P

P

A

L

G

A

R

R

L

F

G

G

E

Q

P

D

E

T

E

D

I

I

A

A

R

N

C

T

V

V

A

A

F

F

L

L

A

A

S

S

D

D

D

K

S

A

Q

K

F

Y

I

I

N

T

G

G

S

Q

T

T

I

I

S

H

A

V

N

N

G

G

A

G

Q

M

F

Y

F

M

active site: G12 (= G13), S138 (= S134), Q148 (= Q144), Y151 (= Y147), K155 (= K151)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), S10 (= S11), R11 (= R12), I13 (= I14), N31 (≠ T32), Y32 (= Y33), A33 (= A34), G34 (= G35), S35 (≠ N36), A58 (≠ W54), N59 (= N55), V60 (= V56), N86 (= N82), A87 (= A83), T109 (= T105), S138 (= S134), Y151 (= Y147), K155 (= K151), P181 (= P177), G182 (= G178)

5vt6A Crystal structure of acetoacetyl-coa reductase from burkholderia pseudomallei 1710b complexed with NADP
46% identity, 97% coverage: 3:235/240 of query aligns to 2:240/245 of 5vt6A

query
sites
5vt6A

R

R

T

V

A

A

L

F

V

V

T

T

G
|
G

G

G

S

M

R
x
G

G
|
G

I
x
L

G

G

A

A

I

I

S

S

K

R

A

R

L

L

K

H

A

D

E

A

G

G

Y

M

N

A

V

V

A

A

A

V

T

S

Y
x
H

A
x
S

-

E

G

R

N
|
N

D

D

E

H

A

V

A

S

A

T

K

W

F

L

T

M

E

H

E

E

T

R

G

D

-

A

-

G

-

R

-

D

I

F

N

K

T

A

Y

Y

K

A

W
x
V

N
x
D

V
|
V

A

A

D

D

Y

F

D

E

E

S

S

C

K

E

A

R

G

C

I

A

E

E

K

K

V

V

E

L

A

A

E

D

V

F

G

G

P

K

I

V

D

D

I

V

V

L

V

I

A

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

A

A

P

T

F

F

H

M

K

K

M

M

T

T

P

K

E

G

Q
x
D

W

W

H

D

Q

A

V

V

I

M

D

R

T

T

N

D

L

L

T

D

G

A

V

M

F

F

N

N

T

V

V

T

H

K

P

Q

V

F

W

I

P

A

G

G

M

M

R

V

E

E

R

R

K

R

F

F

G

G

R

R

I

I

I

V

V

N

I
|
I

S

G

S
|
S

I

V

N

N

G

G

Q

S

K

R

G

G

Q

A

F

F

A

G

Q

Q

V

A

N

N

Y
|
Y

A

A

A

S

T

A

K
|
K

A

A

G

G

D

I

L

H

G

G

I

F

V

T

K

K

S

T

L

L

A

A

Q

L

E

E

G

T

A

A

R

K

A

R

G

G

I

I

T

T

A

V

N

N

A

T

I

V

C

S

P
|
P

G

G

Y
|
Y

I
x
L

A

A

T
|
T

E

A

M

M

V

V

M

E

A

A

V

V

P

P

E

Q

K

D

V

V

R

L

E

E

S

A

-

K

I

I

I

L

G

P

Q

Q

I

I

P

P

A

V

G

G

R

R

L

L

G

G

E

R

P

P

E

D

E

E

I

V

A

A

R

A

C

L

V

I

A

A

F

F

L

L

A

C

S

S

D

D

S

A

Q

G

F

F

I

V

N

T

G

G

S

A

T

D

I

L

S

A

A

I

N

N

G

G

active site: G12 (= G13), D102 (≠ Q98), 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 (≠ W54), D59 (≠ N55), V60 (= V56), N86 (= N82), A87 (= A83), G88 (= G84), I89 (= I85), I136 (= I132), Y151 (= Y147), K155 (= K151), P181 (= P177), Y183 (= Y179), L184 (≠ I180), T186 (= T182)

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)
45% identity, 99% coverage: 3:240/240 of query aligns to 6:244/244 of P0AEK2

query
sites
P0AEK2

R

K

T

I

A

A

L

L

V

V

T

T

G
|
G

G
x
A

S
|
S

R
|
R

G

G

I

I

G

G

A

R

A

A

I

I

S

A

K

E

A

T

L

L

K

A

A

A

E

R

G

G

Y

A

N

K

V

V

A

I

A

G

T

T

Y

-

A

A

G
x
T

N

S

D

E

E

N

A

G

A

A

A

Q

K

A

F

I

T

S

E

D

E

Y

T

L

G

G

I

A

N

N

T

G

-

K

-

G

Y

L

K

M

W

L

N
|
N

V
|
V

A

T

D

D

Y

P

D

A

E

S

S

I

K

E

A

S

G

V

I

L

E

E

K

K

V

I

E

R

A

A

E

E

V

F

G

G

P

E

I

V

D

D

I

I

V

L

V

V

A

N

N
|
N

A

A

G

G

I

I

T

T

R

R

D

D

A

N

P

L

F

L

H

M

K

R

M

M

T

K

P

D

E

E

Q

E

W

W

H

N

Q

D

V

I

I

I

D

E

T

T

N

N

L

L

T

S

G

S

V

V

F

F

N

R

T

L

V

S

H

K

P

A

V

V

W

M

P

R

G

A

M

M

R

M

E

K

R

K

K

R

F

H

G

G

R

R

I

I

V

T

I

I

S

G

S

S

I

V

N

V

G

G

Q

T

K

M

G

G

Q

N

F

G

A

G

Q

Q

V

A

N

N

Y
|
Y

A
|
A

T
x
A

K
|
K

A

A

G

G

D

L

L

I

G

G

I

F

V

S

K

K

S

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

A

R

G

G

I

I

T

T

A

V

N

N

A

V

I

V

C

A

P

P

G

G

Y

F

I
|
I

A

E

T

T

E

D

M

M

V

T

M

R

A

A

V

L

P

S

E

D

K

D

V

Q

R

R

E

A

S

G

I

I

I

L

G

A

Q

Q

I

V

P

P

A

A

G

G

R

R

L

L

G

G

E

G

P

A

E

Q

E

E

I

I

A

A

R

N

C

A

V

V

A

A

F

F

L

L

A

A

S

S

D

D

D

E

S

A

Q

A

F

Y

I

I

N

T

G

G

S
x
E

T

T

I

L

S

H

A

V

N

N

G

G

A

G

Q

M

F

Y

F

M

V

V

GASR 12:15 (≠ GGSR 9:12) binding NADP(+)
T37 (≠ G35) binding NADP(+)
NV 59:60 (= NV 55:56) binding NADP(+)
N86 (= N82) binding NADP(+)
Y151 (= Y147) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YAATK 147:151) binding NADP(+)
A154 (≠ T150) 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.

P73826 Acetoacetyl-CoA reductase; EC 1.1.1.36 from Synechocystis sp. (strain PCC 6803 / Kazusa) (see paper)
47% identity, 98% coverage: 3:237/240 of query aligns to 9:238/240 of P73826

query
sites
P73826

R

K

T

V

A

I

L

V

V

V

T

T

G

G

S

N

R

R

G

G

I

I

G

G

A

A

I

I

S

V

K

K

A

L

L

L

K

Q

A

E

E

M

G

G

Y

A

N

K

V

V

A

A

A

F

T

T

Y

D

A

L

G

A

N

T

D

D

E

G

A

G

A

N

A

-

K

-

F

-

T

T

E

E

E

A

T

L

G

G

I

V

N

V

T

A

Y

-

K

-

W

-

N

N

V

V

A

T

D

D

Y

L

D

E

E

S

S

M

K

T

A

A

G

A

I

A

E

A

K

E

V

I

E

T

A

D

E

K

V

L

G

G

P

P

I

V

D

Y

I

G

V

V

A

A

N

N

A

A

G

G

I

I

T

T

R

K

D

D

A

N

P

F

F

F

H

P

K

K

M

L

T

T

P

P

E

A

Q

D

W

W

H

D

Q

A

V

V

I

L

D

N

T

V

N

N

L

L

T

K

G

G

V

V

F

A

N

Y

T

S

V

I

H

K

P

P

V

F

W

I

P

E

G

G

M

M

R

Y

E

E

R

R

K

K

F

A

G

G

R

S

I

I

I

V

V

A

I

I

S

S

S
|
S

I

I

N

S

G

G

Q

E

K

R

G

G

Q

N

F

V

A

G

Q

Q

V

T

N

N

Y
|
Y

A

S

A

A

T

T

K
|
K

A

A

G

G

D

V

L

I

G

G

I

M

V

M

K

K

S

S

L

L

A

A

Q

R

E

E

G

G

A

A

R

R

A

Y

G

G

I

V

T

R

A

A

N

N

A

A

I

V

C

A

P

P

G

G

Y

F

I

I

A

D

T

T

E

E

M

M

V

T

M

L

A

A

V

I

P

R

E

E

K

D

V

I

R

R

E

E

S

K

I

I

I

T

G

K

Q

E

I

I

P

P

A

F

G

R

R

R

L

F

G

G

E

K

P

P

E

E

I

I

A

A

R

W

C

A

V

V

A

A

F

F

L

L

A

L

S

S

D

P

-

V

D

A

S

S

Q

S

F

Y

I

V

N

T

G

G

S

E

T

V

I

L

S

R

A

V

N

N

G

G

A

A

Q

H

S134 (= S134) mutation to A: 12% enzymatic activity.
Y147 (= Y147) mutation to A: No enzymatic activity.
K151 (= K151) mutation to A: 5% enzymatic activity.

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
45% identity, 99% coverage: 3:240/240 of query aligns to 5:243/243 of 1q7bA

query
sites
1q7bA

R

K

T

I

A

A

L

L

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I

I

G

G

A

R

A

A

I

I

S

A

K

E

A

T

L

L

K

A

A

A

E

R

G

G

Y

A

N

K

V

V

A

I

A

G

T

T

Y

-

A

A

G
x
T

N

S

D

E

E

N

A

G

A

A

A

Q

K

A

F

I

T

S

E

D

E

Y

T

L

G

G

I

A

N

N

T

G

-

K

-

G

Y

L

K

M

W

L

N
|
N

V
|
V

A

T

D

D

Y

P

D

A

E

S

S

I

K

E

A

S

G

V

I

L

E

E

K

K

V

I

E

R

A

A

E

E

V

F

G

G

P

E

I

V

D

D

I

I

V

L

V

V

A

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

A

N

P

L

F

L

H

M

K

R

M

M

T

K

P

D

E

E

Q
x
E

W

W

H

N

Q

D

V

I

I

I

D

E

T

T

N

N

L

L

T

S

G

S

V

V

F

F

N

R

T

L

V

S

H

K

P

A

V

V

W

M

P

R

G

A

M

M

R

M

E

K

R

K

K

R

F

H

G

G

R

R

I

I

V

T

I

I

S

G

S
|
S

I

V

N

V

G

G

Q

T

K

M

G

G

Q

N

F

G

A

G

Q
|
Q

V

A

N

N

Y
|
Y

A

A

T

A

K
|
K

A

A

G

G

D

L

L

I

G

G

I

F

V

S

K

K

S

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

A

R

G

G

I

I

T

T

A

V

N

N

A

V

I

V

C

A

P
|
P

G
|
G

Y

F

I
|
I

A

E

T

T

E

D

M

M

V

T

M

R

A

A

V

L

P

S

E

D

K

D

V

Q

R

R

E

A

S

G

I

I

I

L

G

A

Q

Q

I

V

P

P

A

A

G

G

R

R

L

L

G

G

E

G

P

A

E

Q

E

E

I

I

A

A

R

N

C

A

V

V

A

A

F

F

L

L

A

A

S

S

D

D

D

E

S

A

Q

A

F

Y

I

I

N

T

G

G

S
x
E

T
|
T

I

L

S

H

A

V

N

N

G

G

A

G

Q

M

F

Y

F

M

V

V

active site: G15 (= G13), E101 (≠ Q98), S137 (= S134), Q147 (= Q144), Y150 (= Y147), K154 (= K151)
binding calcium ion: E232 (≠ S229), T233 (= T230)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (= S11), R14 (= R12), T36 (≠ G35), N58 (= N55), V59 (= V56), N85 (= N82), A86 (= A83), G87 (= G84), I88 (= I85), S137 (= S134), Y150 (= Y147), K154 (= K151), P180 (= P177), G181 (= G178), I183 (= I180)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
45% identity, 99% coverage: 3:240/240 of query aligns to 5:243/243 of 1q7cA

query
sites
1q7cA

R

K

T

I

A

A

L

L

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I

I

G

G

A

R

A

A

I

I

S

A

K

E

A

T

L

L

K

A

A

A

E

R

G

G

Y

A

N

K

V

V

A

I

A

G

T

T

Y

-

A
|
A

G
x
T

N

S

D

E

E

N

A

G

A

A

A

Q

K

A

F

I

T

S

E

D

E

Y

T

L

G

G

I

A

N

N

T

G

-

K

-

G

Y

L

K

M

W
x
L

N
|
N

V
|
V

A

T

D

D

Y

P

D

A

E

S

S

I

K

E

A

S

G

V

I

L

E

E

K

K

V

I

E

R

A

A

E

E

V

F

G

G

P

E

I

V

D

D

I

I

V

L

V

V

A

N

N

N

A

A

G
|
G

I
|
I

T

T

R

R

D

D

A

N

P

L

F

L

H

M

K

R

M

M

T

K

P

D

E

E

Q

E

W

W

H

N

Q

D

V

I

I

I

D

E

T

T

N

N

L

L

T

S

G

S

V

V

F

F

N

R

T

L

V

S

H

K

P

A

V

V

W

M

P

R

G

A

M

M

R

M

E

K

R

K

K

R

F

H

G

G

R

R

I

I

V

T

I

I

S

G

S
|
S

I

V

N

V

G

G

Q

T

K

M

G

G

Q

N

F

G

A

G

Q
|
Q

V

A

N

N

Y
x
F

A

A

T

A

K
|
K

A

A

G

G

D

L

L

I

G

G

I

F

V

S

K

K

S

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

A

R

G

G

I

I

T

T

A

V

N

N

A

V

I

V

C

A

P

P

G

G

Y

F

I

I

A

E

T

T

E

D

M

M

V

T

M

R

A

A

V

L

P

S

E

D

K

D

V

Q

R

R

E

A

S

G

I

I

I

L

G

A

Q

Q

I

V

P

P

A

A

G

G

R

R

L

L

G

G

E

G

P

A

E

Q

E

E

I

I

A

A

R

N

C

A

V

V

A

A

F

F

L

L

A

A

S

S

D

D

D

E

S

A

Q

A

F

Y

I

I

N

T

G

G

S

E

T

T

I

L

S

H

A

V

N

N

G

G

A

G

Q

M

F

Y

F

M

V

V

active site: G15 (= G13), S137 (= S134), Q147 (= Q144), F150 (≠ Y147), K154 (= K151)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (= S11), R14 (= R12), A35 (= A34), T36 (≠ G35), L57 (≠ W54), N58 (= N55), V59 (= V56), G87 (= G84), I88 (= I85)

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)
44% identity, 99% coverage: 3:240/240 of query aligns to 6:244/244 of P0A2C9

query
sites
P0A2C9

R

K

T

I

A

A

L

L

V

V

T

T

G

G

G

A

S

S

R

R

G

G

I

I

G

G

A

R

A

A

I

I

S

A

K

E

A

T

L

L

K

V

A

A

E

R

G

G

Y

A

N

K

V

V

A

I

A

G

T

T

Y

-

A

A

G

T

N

S

D

E

E

N

A

G

A

A

A

K

K

N

F

I

T

S

E

D

E

Y

T

L

G

G

I

A

N

N

T

G

-

K

-

G

Y

L

K

M

W

L

N

N

V

V

A

T

D

D

Y

P

D

A

E

S

S

I

K

E

A

S

G

V

I

L

E

E

K

N

V

I

E

R

A

A

E

E

V

F

G

G

P

E

I

V

D

D

I

I

V

L

V

V

A

N

N

N

A

A

G

G

I

I

T

T

R

R

D

D

A

N

P

L

F

L

H

M

K

R

M

M

T

K

P

D

E

D

Q

E

W

W

H

N

Q

D

V

I

I

I

D

E

T

T

N

N

L

L

T

S

G

S

V

V

F

F

N

R

T

L

V

S

H

K

P

A

V

V

W

M

P

R

G

A

M
|
M

R

M

E

K

R

K

K

R

F

C

G

G

R

R

I

I

V

T

I

I

S

G

S

S

I

V

N

V

G

G

Q

T

K

M

G

G

Q

N

F

A

A

G

Q

Q

V

A

N

N

Y

Y

A

A

T

A

K

K

A

A

G

G

D

L

L

I

G

G

I

F

V

S

K

K

S

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

A

R

G

G

I

I

T

T

A

V

N

N

A

V

I

V

C

A

P

P

G

G

Y

F

I

I

A

E

T

T

E

D

M

M

V

T

M

R

A

A

V

L

P

S

E

D

K

D

V

Q

R

R

E

A

S

G

I

I

I

L

G

A

Q

Q

I

V

P

P

A

A

G

G

R

R

L

L

G

G

E

G

P

A

E

Q

E

E

I

I

A

A

R

S

C

A

V

V

A

A

F

F

L

L

A
|
A

S
|
S

D

D

D

E

S

A

Q

S

F

Y

I

I

N

T

G

G

S

E

T

T

I

L

S

H

A

V

N

N

G

G

A

G

Q

M

F

Y

F

M

V

V

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)
44% identity, 99% coverage: 3:240/240 of query aligns to 6:244/244 of 6t77A

query
sites
6t77A

R

K

T

I

A

A

L

L

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I

I

G

G

A

R

A

A

I

I

S

A

K

E

A

T

L

L

K

V

A

A

E

R

G

G

Y

A

N

K

V

V

A

I

A

G

T

T

Y

-

A

A

G
x
T

N

S

D

E

E

S

A

G

A

A

A

Q

K

A

F

I

T

S

E

D

E

Y

T

L

G

G

I

A

N

N

T

G

-

K

-

G

Y

L

K

M

W
x
L

N
|
N

V
|
V

A

T

D

D

Y

P

D

A

E

S

S

I

K

E

A

S

G

V

I

L

E

E

K

N

V

V

E

R

A

A

E

E

V

F

G

G

P

E

I

V

D

D

I

I

V

L

V

V

A

N

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

A

N

P

L

F

L

H

M

K

R

M

M

T

K

P

D

E

D

Q

E

W

W

H

N

Q

D

V

I

I

I

D

E

T

T

N

N

L

L

T

S

G

S

V

V

F

F

N

R

T

L

V

S

H

K

P

A

V

V

W

M

P

R

G

A

M

M

R

M

E

K

R

K

K

R

F

H

G

G

R

R

I

I

V

T

I

I

S

G

S
|
S

I

V

N

V

G

G

Q

T

K

M

G

G

Q

N

F

A

A

G

Q

Q

V

A

N

N

Y
|
Y

A

A

T

A

K

K

A

A

G

G

D

L

L

I

G

G

I

F

V

S

K

K

S

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

A

R

G

G

I

I

T

T

A

V

N

N

A

V

I

V

C

A

P

P

G

G

Y

F

I

I

A

E

T

T

E

D

M

M

V

T

M

R

A

A

V

L

P

T

E

D

K

E

V

Q

R

R

E

A

S

G

I

T

I

L

G

A

Q

A

I

V

P

P

A

A

G

G

R

R

L

L

G

G

E

T

P

P

E

N

E

E

I

I

A

A

R

S

C

A

V

V

A

A

F

F

L

L

A

A

S

S

D

D

D

E

S

A

Q

S

F

Y

I

I

N

T

G

G

S

E

T

T

I

L

S

H

A

V

N

N

G

G

A

G

Q

M

F

Y

F

M

V

V

active site: G16 (= G13), S138 (= S134), Y151 (= Y147)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G9), S14 (= S11), R15 (= R12), T37 (≠ G35), L58 (≠ W54), N59 (= N55), V60 (= V56), A87 (= A83), G88 (= G84), I89 (= I85)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
43% identity, 99% coverage: 3:240/240 of query aligns to 5:243/243 of 7emgB

query
sites
7emgB

R

K

T

I

A

V

L

L

V

V

T

T

G
|
G

G

A

S
|
S

R
|
R

G

G

I

I

G

G

A

R

A

A

I

I

S

A

K

E

A

T

L

F

K

V

A

A

E

R

G

G

Y

A

N

K

V

V

A

I

A

G

T

T

Y

-

A

A

G
x
T

N

S

D

E

E

S

A

G

A

A

A

E

K

A

F

I

T

S

E

G

E

Y

T

L

G

G

I

A

N

N

T

G

-

K

-

G

Y

F

K

M

W

L

N
|
N

V
|
V

A

K

D

D

Y

A

D

Q

E

S

S

I

K

D

A

S

G

V

I

L

E

A

K

S

V

I

E

R

A

A

E

E

V

F

G

G

P

E

I

I

D

D

I

I

V

L

V

V

A

N

N

N

A

A

G

G

I
|
I

T

T

R

R

D

D

A

N

P

L

F

L

H

M

K

R

M

M

T

K

P

D

E

D

Q

E

W

W

H

E

Q

D

V

I

I

L

D

D

T

T

N

N

L

L

T

T

G

S

V

V

F

F

N

R

T

L

V

S

H

K

P

A

V

V

W

M

P

C

G

A

M

M

R

M

E

K

R

K

K

R

F

F

G

G

R

R

I

I

V

T

I

I

S

G

S

S

I

V

N

V

G

G

Q

T

K

M

G

G

Q

N

F

A

A

G

Q

Q

V

A

N

N

Y

Y

A

A

T

A

K

K

A

A

G

G

D

L

L

I

G

G

I

F

V

S

K

K

S

S

L

L

A

A

Q

R

E

E

G

V

A

A

R

S

A

R

G

G

I

I

T

T

A

V

N

N

A

V

I

V

C

A

P

P

G

G

Y

Y

I

I

A

E

T

T

E

D

M

M

V

T

M

R

A

A

V

L

P

T

E

D

K

D

V

Q

R

R

E

A

S

G

I

I

I

L

G

S

Q

S

I

V

P

P

A

A

G

N

R

R

L

P

G

G

E

D

P

A

E

K

E

E

I

I

A

A

R

S

C

A

V

V

A

A

F

F

L

L

A

A

S

S

D

D

D

E

S

A

Q

G

F

Y

I

I

N

T

G

G

S

E

T

T

I

L

S

H

A

V

N

N

G

G

A

G

Q

M

F

Y

F

M

V

I

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (= S11), R14 (= R12), T36 (≠ G35), N58 (= N55), V59 (= V56), I88 (= I85)

5ovkA Crystal structure maba bound to NADPH from m. Smegmatis (see paper)
42% identity, 98% coverage: 1:235/240 of query aligns to 9:236/242 of 5ovkA

query
sites
5ovkA

M

V

A

S

R

R

T

S

A

V

L

L

V

V

T

T

G
|
G

G

G

S
x
N

R
|
R

G
|
G

I

I

G

G

A

L

A

A

I

I

S

A

K

R

A

R

L

L

K

A

A

A

E

D

G

G

Y

H

N

K

V

V

A

A

A

V

T

T

Y

H

A
x
R

G

G

N

S

D

G

E

A

A

P

A

D

K

L

F

F

T

G

E

-

T

-

G

-

I

-

N

-

T

-

Y

V

K

Q

W

C

N
x
D

V
|
V

A

T

D

D

Y

S

D

A

E

A

S

V

K

D

A

R

G

A

I

F

E

K

K

E

V

V

E

E

A

E

E

H

V

Q

G

G

P

P

I

V

D

E

I

V

V

L

V

V

A

A

N

N

A
|
A

G
|
G

I

I

T

S

R

K

D

D

A

A

P

F

F

L

H

M

K

R

M

M

T

T

P

E

E

E

Q

R

W

F

H

E

Q

E

V

V

I

I

D

N

T

T

N

N

L

L

T

T

G

G

V

A

F

F

N

R

T

C

V

A

H

Q

P

R

V

A

W

S

P

R

G

T

M

M

R

Q

E

R

R

K

K

R

F

F

G

G

R

R

I

I

V

F

I

I

S

G

S
|
S

I

V

N

S

G

G

Q

M

K

W

G

G

Q

I

F

G

A

N

Q

Q

V

A

N

N

Y
|
Y

A

A

T

A

K

K

A

A

G

G

D

L

L

I

G

G

I

M

V

A

K

R

S

S

L

I

A

S

Q

R

E

E

G

L

A

A

R

K

A

A

G

G

I

V

T

T

A

A

N

N

A

V

I

V

C

A

P

P

G

G

Y

Y

I

I

A

D

T

T

E

E

M

M

V

T

M

R

A

A

V

L

P

D

E

E

K

R

V

I

R

Q

E

A

S

G

I

A

I

L

G

D

Q

F

I

I

P

P

A

A

G

K

R

R

L

V

G

G

E

T

P

A

E

E

I

V

A

A

R

G

C

A

V

V

A

S

F

F

L

L

A

A

S

S

D

E

D

D

S

A

Q

S

F

Y

I

I

N

A

G

G

S

A

T

V

I

I

S

P

A

V

N

D

G

G

active site: G21 (= G13), S135 (= S134), Y148 (= Y147)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G17 (= G9), N19 (≠ S11), R20 (= R12), R42 (≠ A34), D56 (≠ N55), V57 (= V56), A84 (= A83), G85 (= G84)

P71534 3-oxoacyl-[acyl-carrier-protein] reductase MabA; 3-ketoacyl-acyl carrier protein reductase; Acetoacetyl-CoA reductase; Beta-ketoacyl-ACP reductase; Beta-ketoacyl-acyl carrier protein reductase; EC 1.1.1.100; EC 1.1.1.36 from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155) (Mycobacterium smegmatis) (see paper)
42% identity, 98% coverage: 1:235/240 of query aligns to 22:249/255 of P71534

query
sites
P71534

M

V

A

S

R

R

T

S

A

V

L

L

V

V

T

T

G

G

S
x
N

R
|
R

G
|
G

I
|
I

G

G

A

L

A

A

I

I

S

A

K

R

A

R

L

L

K

A

A

A

E

D

G

G

Y

H

N

K

V

V

A

A

A

V

T

T

Y

H

A
x
R

G

G

N

S

D

G

E

A

A

P

A

D

K

L

F

F

T

G

E

-

T

-

G

-

I

-

N

-

T

-

Y

V

K

Q

W

C

N
x
D

V
|
V

A

T

D

D

Y

S

D

A

E

A

S

V

K

D

A

R

G

A

I

F

E

K

K

E

V

V

E

E

A

E

E

H

V

Q

G

G

P

P

I

V

D

E

I

V

V

L

V

V

A

A

N

N

A

A

G

G

I

I

T

S

R

K

D

D

A

A

P

F

F

L

H

M

K

R

M

M

T

T

P

E

E

E

Q

R

W

F

H

E

Q

E

V

V

I

I

D

N

T

T

N

N

L

L

T

T

G

G

V

A

F

F

N

R

T

C

V

A

H

Q

P

R

V

A

W

S

P

R

G

T

M

M

R

Q

E

R

R

K

K

R

F

F

G

G

R

R

I

I

V

F

I

I

S

G

S

S

I

V

N

S

G

G

Q

M

K

W

G

G

Q

I

F

G

A

N

Q

Q

V

A

N

N

Y
|
Y

A

A

T

A

K
|
K

A

A

G

G

D

L

L

I

G

G

I

M

V

A

K

R

S

S

L

I

A

S

Q

R

E

E

G

L

A

A

R

K

A

A

G

G

I

V

T

T

A

A

N

N

A

V

I

V

C

A

P

P

G

G

Y

Y

I
|
I

A

D

T

T

E

E

M

M

V

T

M

R

A

A

V

L

P

D

E

E

K
x
R

V

I

R

Q

E

A

S

G

I

A

I

L

G

D

Q

F

I

I

P

P

A

A

G

K

R

R

L

V

G

G

E

T

P

A

E

E

I

V

A

A

R

G

C

A

V

V

A

S

F

F

L

L

A

A

S

S

D

E

D

D

S

A

Q

S

F

Y

I

I

N

A

G

G

S

A

T

V

I

I

S

P

A

V

N

D

G

G

NRGI 32:35 (≠ SRGI 11:14) binding NADP(+)
R55 (≠ A34) binding NADP(+)
DV 69:70 (≠ NV 55:56) binding NADP(+)
Y161 (= Y147) binding NADP(+)
K165 (= K151) binding NADP(+)
I194 (= I180) binding NADP(+)
R205 (≠ K191) binding NADP(+)

5ovlA Crystal structure of maba bound to NADP+ from m. Smegmatis (see paper)
42% identity, 98% coverage: 1:235/240 of query aligns to 8:235/241 of 5ovlA

query
sites
5ovlA

M

V

A

S

R

R

T

S

A

V

L

L

V

V

T

T

G
|
G

G

G

S
x
N

R
|
R

G
|
G

I
|
I

G

G

A

L

A

A

I

I

S

A

K

R

A

R

L

L

K

A

A

A

E

D

G

G

Y

H

N

K

V

V

A

A

A

V

T

T

Y

H

A
x
R

G

G

N

S

D

G

E

A

A

P

A

D

K

L

F

F

T

G

E

-

T

-

G

-

I

-

N

-

T

-

Y

V

K

Q

W

C

N
x
D

V
|
V

A

T

D

D

Y

S

D

A

E

A

S

V

K

D

A

R

G

A

I

F

E

K

K

E

V

V

E

E

A

E

E

H

V

Q

G

G

P

P

I

V

D

E

I

V

V

L

V

V

A

A

N
|
N

A
|
A

G

G

I
|
I

T

S

R

K

D

D

A

A

P

F

F

L

H

M

K

R

M

M

T

T

P

E

E

E

Q

R

W

F

H

E

Q

E

V

V

I

I

D

N

T
|
T

N

N

L

L

T

T

G

G

V

A

F

F

N

R

T

C

V

A

H

Q

P

R

V

A

W

S

P

R

G

T

M

M

R

Q

E

R

R

K

K

R

F

F

G

G

R

R

I

I

V

F

I
|
I

S

G

S
|
S

I

V

N

S

G

G

Q

M

K

W

G

G

Q

I

F

G

A

N

Q

Q

V

A

N

N

Y
|
Y

A

A

T

A

K
|
K

A

A

G

G

D
x
L

L

I

G

G

I

M

V

A

K

R

S

S

L

I

A

S

Q

R

E

E

G

L

A

A

R

K

A

A

G

G

I

V

T

T

A

A

N

N

A

V

I

V

C

A

P
|
P

G
|
G

Y

Y

I
|
I

A

D

T

T

E

E

M

M

V

T

M

R

A

A

V

L

P

D

E

E

K

R

V

I

R

Q

E

A

S

G

I

A

I

L

G

D

Q

F

I

I

P

P

A

A

G

K

R

R

L

V

G

G

E

T

P

A

E

E

I

V

A

A

R

G

C

A

V

V

A

S

F

F

L

L

A

A

S

S

D

E

D

D

S

A

Q

S

F

Y

I

I

N

A

G

G

S

A

T

V

I

I

S

P

A

V

N

D

G

G

active site: G20 (= G13), S134 (= S134), Y147 (= Y147), L154 (≠ D154)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G9), N18 (≠ S11), R19 (= R12), G20 (= G13), I21 (= I14), R41 (≠ A34), D55 (≠ N55), V56 (= V56), N82 (= N82), A83 (= A83), I85 (= I85), T105 (= T105), I132 (= I132), S134 (= S134), Y147 (= Y147), K151 (= K151), P177 (= P177), G178 (= G178), I180 (= I180)

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
43% identity, 99% coverage: 2:239/240 of query aligns to 8:247/247 of 7tzpG

query
sites
7tzpG

A

S

R

K

T

T

A

A

L

I

V

V

T

T

G
|
G

G

A

S

A

R
|
R

G
|
G

I
|
I

G

G

A

F

A

G

I

I

S

A

K

Q

A

V

L

L

K

A

A

R

E

E

G

G

Y

A

N

R

V

V

A

I

-

I

A

A

T
x
D

Y
x
R

A

D

G

A

N

H

D

G

E

E

A

A

K

A

F

S

T

L

E

R

E

E

T

S

G

G

I

A

N

Q

T

A

Y

L

-

F

-

I

K

S

W
x
C

N

N

V
x
I

A

A

D

E

Y

K

D

T

E

Q

S

V

K

E

A

A

G

L

I

F

E

S

K

Q

V

A

E

E

A

E

E

A

V

F

G

G

P

P

I

V

D

D

I

I

V

L

V

V

A

N

N
|
N

A

A

G
|
G

I
|
I

T

N

R

R

D

D

A

A

P

M

F

L

H

H

K

K

M

L

T

T

P

E

E

A

Q

D

W

W

H

D

Q

T

V

V

I

I

D

D

T
x
V

N

N

L

L

T

K

G

G

V

T

F

F

N

L

T

C

V

M

H

Q

P

Q

V

A

W

A