SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_024890661.1 NCBI__GCF_000559025.1:WP_024890661.1 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
57% identity, 98% coverage: 3:244/246 of query aligns to 1:244/245 of 4k6fB

query
sites
4k6fB

K

K

R

R

I

I

A

A

V

V

T

T

G
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G

G

G

L

M

G

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G
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E

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L

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G

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H

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-

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-
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L

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D
x
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A

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-

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-

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I
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T

L

L

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x
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N

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S

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V

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R

K

K

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G

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V

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N

N

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S

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P

G

G

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Y

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E

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K

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-

L

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G

K

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Q

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G

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K

P

P

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Y

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L

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M

active site: G12 (= G14), N102 (≠ Q103), S138 (= S139), Y151 (= Y152), K155 (= K156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), Y32 (vs. gap), S33 (≠ A33), N36 (≠ D36), V58 (≠ L59), D59 (= D60), V60 (= V61), A87 (= A88), G88 (= G89), I89 (= I90)

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)
56% identity, 99% coverage: 1:244/246 of query aligns to 1:245/246 of P14697

query
sites
P14697

M

M

S

T

K

Q

R

R

I

I

A

A

V

Y

V

V

T

T

G

G

L

M

G
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G

L
x
I

G

G

T

T

A

A

I

I

C

C

R

Q

H

R

L

L

A

A

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K

A

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F

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A

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x
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x
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D

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K

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F

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M

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A

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L

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E

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A

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T

K

K

G

G

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V

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T

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V

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N

T

T

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S

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P

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G

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Y

C
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I

E

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T

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G

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M

M

GGI 13:15 (≠ GGL 13:15) binding NADP(+)
G35 (≠ L35) binding NADP(+)
R40 (≠ E40) binding NADP(+)
Q47 (≠ A48) 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 (≠ --V 61) binding NADP(+)
NAGIT 88:92 (= NAGIT 87:91) binding NADP(+)
D94 (= D93) mutation to A: About 6% of wild-type activity.
K99 (= K98) mutation to A: Nearly loss of activity.
Q147 (= Q146) mutation to A: About 30% of wild-type activity.
F148 (= F147) mutation to A: About 30% of wild-type activity.
Q150 (= Q149) mutation to A: About 20% of wild-type activity.
T173 (≠ R172) 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 (≠ PGYC 182:185) binding NADP(+)
Y185 (= Y184) mutation to A: Nearly loss of activity.
R195 (≠ P194) mutation to A: Nearly loss of activity.

5vmlA Crystal structure of acetoacetyl-coa reductase from burkholderia pseudomallei 1710b with bound NADP
55% identity, 99% coverage: 2:244/246 of query aligns to 1:244/245 of 5vmlA

query
sites
5vmlA

S

S

K

Q

R

R

I

I

A

A

V

Y

V

V

T

T

G
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G

G

G

L

M

G
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G

L
x
I

G

G

T

T

A

S

I

I

C

C

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Q

H

R

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H

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R

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A

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-

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D

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L

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N

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I

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K

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M

active site: G13 (= G14), N111 (= N111), S139 (= S139), Y152 (= Y152), K156 (= K156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G9 (= G10), G12 (= G13), G13 (= G14), I14 (≠ L15), C33 (≠ D34), G34 (≠ L35), R39 (≠ E40), G59 (vs. gap), N60 (vs. gap), V61 (= V61), N87 (= N87), G89 (= G89), I90 (= I90), S139 (= S139), Y152 (= Y152), K156 (= K156), P182 (= P182), G183 (= G183), I185 (≠ C185)

3vzsB Crystal structure of phab from ralstonia eutropha in complex with acetoacetyl-coa and NADP (see paper)
56% identity, 99% coverage: 2:244/246 of query aligns to 5:248/249 of 3vzsB

query
sites
3vzsB

S

T

K

Q

R

R

I

I

A

A

V

Y

V

V

T

T

G
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G

G

G

L

M

G

G

L
x
I

G

G

T

T

A

A

I

I

C

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A

A

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K

A

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A

A

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L

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F

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D

F

F

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I

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-
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G

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N

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A

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D

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T

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A

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G

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N

N

A

A

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G

I
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I

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T

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D

V

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L

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R

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K

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M

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A

A

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D

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N

L

L

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S

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F

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N

L

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V

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D

G

G

M

M

V

A

E

D

R

R

G

G

F

W

G

G

R

R

I

I

V

V

N

N

L

I

S

S

S
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S

V

V

N

N

G

G

Q

Q

T

K

G

G

Q
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Q

F
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F

G

G

Q
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Q

T

T

N

N

Y
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Y

S

S

A

T

A

A

K
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K

A

A

G

G

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L

H

H

G

G

F

F

T

T

M

M

A

A

L

L

A

A

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E

E

V

V

A

A

R

T

K

K

G

G

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V

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T

V

V

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N

T

T

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V

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S

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P

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G

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Y

C
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M

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G

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P

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C

A

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M

active site: N115 (= N111), S143 (= S139), Y156 (= Y152), K160 (= K156)
binding acetoacetyl-coenzyme a: D97 (= D93), Q150 (= Q146), F151 (= F147), Q153 (= Q149), Y156 (= Y152), G187 (= G183), Y188 (= Y184), R198 (≠ P194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G10), I18 (≠ L15), G38 (≠ L35), R43 (≠ E40), G63 (vs. gap), N64 (vs. gap), V65 (= V61), G93 (= G89), I94 (= I90), T95 (= T91), P186 (= P182), I189 (≠ C185), M193 (≠ L189), V194 (= V190)

5vt6A Crystal structure of acetoacetyl-coa reductase from burkholderia pseudomallei 1710b complexed with NADP
52% identity, 99% coverage: 3:245/246 of query aligns to 1:245/245 of 5vt6A

query
sites
5vt6A

K

K

R

R

I

V

A

A

V

F

V

V

T

T

G
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G

G

G

L

M

G
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G

L
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L

G

G

T

A

A

A

I

I

C

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R

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L

A

H

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D

A

A

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G

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A

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A

A

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A

S

D

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L

-

D

-

G

-

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H

A
x
S

E

E

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R

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x
N

A

D

A

H

F

V

E

S

T

T

A

W

-

L

M

M

H

H

-

E

-

R

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D

-

A

G

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E

K

F

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A

Y

A

A

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x
V

D
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D

V
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V

A

A

D

D

F

F

D

E

A

S

C

C

G

E

R

R

F

C

V

A

A

E

D

K

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L

A

A

R

D

H

F

G

G

A

K

L

V

D

D

V

V

L

L

V

I

N

N

N
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N

A
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A

G
|
G

I
|
I

T

T

R

R

D

D

V

A

T

T

L

F

R

M

K

K

M

M

D

T

R

K

A

G

Q
x
D

W

W

Q

D

D

A

V

V

V

M

D

R

V

T

N

D

L

L

G

D

S

A

V

M

F

F

N

N

L

V

C

T

R

K

H

Q

A

F

V

I

G

A

G

G

M

M

V

V

E

E

R

R

G

R

F

F

G

G

R

R

I

I

V

V

N

N

L
x
I

S

G

S
|
S

V

V

N

N

G

G

Q

S

T

R

G

G

Q

A

F

F

G

G

Q

Q

T

A

N

N

Y
|
Y

S

A

A

S

A

A

K
|
K

A

A

G

G

M

I

H

H

G

G

F

F

T

T

M

K

A

T

L

L

A

A

R

L

E

E

V

T

A

A

R

K

K

R

G

G

V

I

T

T

V

V

N

N

T

T

V

V

S

S

P
|
P

G

G

Y
|
Y

C
x
L

E

A

T
|
T

A

A

L

M

V

V

M

E

R

A

M

V

P

P

E

Q

-

D

A

V

I

L

R

E

A

A

G

K

I

I

V

L

E

P

Q

Q

V

I

P

P

V

V

G

G

R

R

L

L

G

G

R

R

P

P

E

D

E

E

I

V

A

A

R

A

A

L

V

I

A

A

F

F

L

L

V

C

D

S

E

D

A

A

G

G

F

F

V

V

T

T

G

G

A

A

N

D

L

L

P

A

V

I

N

N

G

G

L

M

F

H

M

M

S

S

active site: G12 (= G14), D102 (≠ Q103), S138 (= S139), Y151 (= Y152), K155 (= K156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), G11 (= G13), G12 (= G14), L13 (= L15), H32 (≠ Q38), S33 (≠ A39), N36 (≠ L42), V58 (≠ L59), D59 (= D60), V60 (= V61), N86 (= N87), A87 (= A88), G88 (= G89), I89 (= I90), I136 (≠ L137), Y151 (= Y152), K155 (= K156), P181 (= P182), Y183 (= Y184), L184 (≠ C185), T186 (= T187)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
43% identity, 99% coverage: 1:244/246 of query aligns to 5:244/244 of 4nbuB

query
sites
4nbuB

M

L

S

Q

K

D

R

K

I

V

A

A

V

I

T

T

G
|
G

G

A

L

A

G
x
N

G
|
G

L
x
I

G

G

T

L

A

E

I

A

C

A

R

R

H

V

L

F

A

M

R

K

A

E

G

G

H

A

R

K

V

V

A

I

A

A

D
|
D

L
x
F

D

N

G

E

Q

A

A

A

E

G

R

K

L

-

A

-

F

-

E

E

T

A

A

V

M

E

H

A

G

N

L

P

E

G

V

V

E

V

F

F

A

I

A

R

L
x
V

D
|
D

V
|
V

A

S

D

D

F

R

D

E

A

S

C

V

G

H

R

R

F

L

V

V

A

E

D

N

V

V

Q

A

A

E

R

R

H

F

G

G

A

K

L

I

D

D

V

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D
|
D

V

S

T

M

L

L

R

S

K
|
K

M

M

D

T

R

V

A

D

Q

Q

W

F

Q

Q

D

Q

V

V

V

I

D

N

V

V

N
|
N

L

L

G

T

S

G

V

V

F

F

N

H

L

C

C

T

R

Q

H

A

A

V

V

L

G

P

G

Y

M

M

V

A

E

E

R

Q

G

G

F

K

G

G

R

K

I

I

V

I

N

N

L
x
T

S

S

S
|
S

V

V

N

T

G

G

Q

T

T

Y

G

G

Q
x
N

F
x
V

G

G

Q
|
Q

T

T

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

M

V

H

I

G

G

F

M

T

T

M

K

A

T

L

W

A

A

R

K

E

E

V

L

A

A

R

R

K

K

G

G

V

I

T

N

V

V

N

N

T

A

V

V

S

A

P
|
P

G

G

Y
x
F

C
x
T

E

E

T
|
T

A

A

L
x
M

V

V

M

A

R

E

M

V

P

P

E

E

A

K

I

V

R

I

A

E

G
x
K

I

M

V

K

E

A

Q

Q

V

V

P

P

V

M

G

G

R

R

L

L

G

G

R

K

P

P

E

E

E

D

I

I

A

A

R

N

A

A

V

Y

A

L

F

F

L

L

V

A

D

S

E

H

E

E

A

S

G

D

F

Y

V

V

T

N

G

G

A

H

N

V

L

L

P

H

V

V

N

D

G

G

L

I

F

M

M

M

active site: G18 (= G14), N111 (= N111), S139 (= S139), Q149 (= Q149), Y152 (= Y152), K156 (= K156)
binding acetoacetyl-coenzyme a: D93 (= D93), K98 (= K98), S139 (= S139), N146 (≠ Q146), V147 (≠ F147), Q149 (= Q149), Y152 (= Y152), F184 (≠ Y184), M189 (≠ L189), K200 (≠ G200)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G10), N17 (≠ G13), G18 (= G14), I19 (≠ L15), D38 (= D34), F39 (≠ L35), V59 (≠ L59), D60 (= D60), V61 (= V61), N87 (= N87), A88 (= A88), G89 (= G89), I90 (= I90), T137 (≠ L137), S139 (= S139), Y152 (= Y152), K156 (= K156), P182 (= P182), F184 (≠ Y184), T185 (≠ C185), T187 (= T187), M189 (≠ L189)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
43% identity, 100% coverage: 1:245/246 of query aligns to 10:254/254 of 4ag3A

query
sites
4ag3A

M

L

S

Q

K

G

R

K

I

V

A

A

V

L

V

V

T

T

G
|
G

G

A

L
x
S

G
x
R

G
|
G

L
x
I

G

G

T

Q

A

A

I

I

C

A

R

L

H

E

L

L

A

G

R

R

A

L

G

G

H

A

R

V

V

V

V

I

A

G

A

T

D

A

L
x
T

D

S

G

A

Q

S

-

G

A

A

E

E

R

K

L

I

A

A

A

E

F

T

E

L

T

K

A

A

M

-

H

N

G

G

L

V

E

E

V

G

E

A

F

G

A

L

A

V

L
|
L

D
|
D

V
|
V

A

S

D

S

F

D

D

E

A

S

C

V

G

A

R

A

F

T

V

L

A

E

D

H

V

I

Q

Q

A

Q

R

H

H

L

G

G

A

Q

L

P

D

L

V

I

L

V

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

V

N

T

L

L

L

R

V

K

R

M

M

D

K

R

D

A

D

Q

E

W

W

Q

F

D

D

V

V

D

N

V

T

N

N

L

L

G

N

S

S

V

L

F

Y

N

R

L

L

C

S

R

K

H

A

A

V

V

L

G

R

G

G

M

M

V

T

E

K

R

A

G

R

F

W

G

G

R

R

I

I

V

I

N

N

L
x
I

S

G

S
|
S

V

V

N

V

G

G

Q

A

T

M

G

G

Q

N

F

A

G

G

Q

Q

T

T

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

M

L

H

E

G

G

F

F

T

T

M

R

A

A

L

L

A

A

R

R

E

E

V

V

A

G

R

S

K

R

G

A

V

I

T

T

V

V

N

N

T

A

V

V

S

A

P
|
P

G
|
G

Y
x
F

C
x
I

E

D

T
|
T

A

D

L
x
M

V
x
T

M

R

R

E

M

L

P

P

E

E

A

A

I

Q

R

R

A

E

G

A

I

L

V

L

E

G

Q

Q

V

I

P

P

V

L

G

G

R

R

L

L

G

G

R

Q

P

A

E

E

I

I

A

A

R

K

A

V

V

V

A

G

F

F

L

L

V

A

D

S

E

D

E

G

A

A

G

A

F

Y

V

V

T

T

G

G

A

A

N

T

L

V

P

P

V

V

N

N

G

G

L

M

F

Y

M

M

S

S

active site: G23 (= G14), S148 (= S139), Y161 (= Y152), K165 (= K156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G10), S21 (≠ L12), R22 (≠ G13), G23 (= G14), I24 (≠ L15), T44 (≠ L35), L68 (= L59), D69 (= D60), V70 (= V61), N96 (= N87), A97 (= A88), I146 (≠ L137), S148 (= S139), Y161 (= Y152), K165 (= K156), P191 (= P182), G192 (= G183), F193 (≠ Y184), I194 (≠ C185), T196 (= T187), M198 (≠ L189), T199 (≠ V190)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
43% identity, 98% coverage: 4:244/246 of query aligns to 5:242/243 of 7emgB

query
sites
7emgB

R

K

I

I

A

V

V

L

V

V

T

T

G
|
G

G

A

L
x
S

G
x
R

G

G

L

I

G

G

T

R

A

A

I

I

C

A

R

E

H

T

L

F

A

V

R

A

A

R

G

G

H

A

R

K

V

V

V

I

-

G

A

T

A

A

D
x
T

L

S

D

E

G

S

Q

G

A

A

E

E

R

A

L

I

A

S

A

G

F

Y

E

-

T

-

A

-

M

-

H

L

G

G

L

A

E

N

V

G

E

K

F

G

A

F

A

M

L

L

D
x
N

V
|
V

A

K

D

D

F

A

D

Q

A

S

C

I

G

D

R

S

F

V

V

L

A

A

D

S

V

I

Q

R

A

A

R

E

H

F

G

G

A

E

L

I

D

D

V

I

L

L

V

V

N

N

A

A

G

G

I
|
I

T

T

R

R

D

D

V

N

T

L

L

L

R

M

K

R

M

M

D

K

R

D

A

D

Q

E

W

W

Q

E

D

D

V

I

V

L

D

D

V

T

N

N

L

L

G

T

S

S

V

V

F

F

N

R

L

L

C

S

R

K

H

A

A

V

V

M

G

C

G

A

M

M

V

M

E

K

R

K

G

R

F

F

G

G

R

R

I

I

V

I

N

T

L

I

S

G

S

S

V

V

N

V

G

G

Q

T

T

M

G

G

Q

N

F

A

G

G

Q

Q

T

A

N

N

Y

Y

S

A

A

A

K

K

A

A

G

G

M

L

H

I

G

G

F

F

T

S

M

K

A

S

L

L

A

A

R

R

E

E

V

V

A

A

R

S

K

R

G

G

V

I

T

T

V

V

N

N

T

V

V

V

S

A

P

P

G

G

Y

Y

C

I

E

E

T

T

A

D

L

M

V

T

M

R

R

A

M

L

P

T

E

D

A

D

I

Q

R

R

A

A

G

G

I

I

V

L

E

S

Q

S

V

V

P

P

V

A

G

N

R

R

L

P

G

G

R

D

P

A

E

K

E

E

I

I

A

A

R

S

A

A

V

V

A

A

F

F

L

L

V

A

D

S

E

D

E

E

A

A

G

G

F

Y

V

I

T

T

G

G

A

E

N

T

L

L

P

H

V

V

N

N

G

G

L

M

F

Y

M

M

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G10), S13 (≠ L12), R14 (≠ G13), T36 (≠ D34), N58 (≠ D60), V59 (= V61), I88 (= I90)

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)
44% identity, 98% coverage: 4:244/246 of query aligns to 6:243/244 of P0AEK2

query
sites
P0AEK2

R

K

I

I

A

A

V

L

V

V

T

T

G
|
G

G
x
A

L
x
S

G
x
R

G

G

L

I

G

G

T

R

A

A

I

I

C

A

R

E

H

T

L

L

A

A

R

A

A

R

G

G

H

A

R

K

V

V

V

I

A

G

A

T

D

-

L

-

D

-

G

A

Q
x
T

A

S

E

E

R

N

L

G

A

A

A

Q

F

A

E

I

T

S

A

D

M

Y

H

L

G

G

L

A

E

N

V

G

E

K

F

G

A

L

A

M

L

L

D
x
N

V
|
V

A

T

D

D

F

P

D

A

A

S

C

I

G

E

R

S

F

V

V

L

A

E

D

K

V

I

Q

R

A

A

R

E

H

F

G

G

A

E

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A

A

G

G

I

I

T

T

R

R

D

D

V

N

T

L

L

L

R

M

K

R

M

M

D

K

R

D

A

E

Q

E

W

W

Q

N

D

D

V

I

D

E

V

T

N

N

L

L

G

S

S

S

V

V

F

F

N

R

L

L

C

S

R

K

H

A

A

V

V

M

G

R

G

A

M

M

V

M

E

K

R

K

G

R

F

H

G

G

R

R

I

I

V

I

N

T

L

I

S

G

S

S

V

V

N

V

G

G

Q

T

T

M

G

G

Q

N

F

G

G

G

Q

Q

T

A

N

N

Y
|
Y

S
x
A

A
|
A

K
|
K

A

A

G

G

M

L

H

I

G

G

F

F

T

S

M

K

A

S

L

L

A

A

R

R

E

E

V

V

A

A

R

S

K

R

G

G

V

I

T

T

V

V

N

N

T

V

V

V

S

A

P

P

G

G

Y

F

C
x
I

E

E

T

T

A

D

L

M

V

T

M

R

R

A

M

L

P

S

E

D

A

D

I

Q

R

R

A

A

G

G

I

I

V

L

E

A

Q

Q

V

V

P

P

V

A

G

G

R

R

L

L

G

G

R

G

P

A

E

Q

E

E

I

I

A

A

R

N

A

A

V

V

A

A

F

F

L

L

V

A

D

S

E

D

E

E

A

A

G

A

F

Y

V

I

T

T

G

G

A
x
E

N

T

L

L

P

H

V

V

N

N

G

G

L

M

F

Y

M

M

GASR 12:15 (≠ GGLG 10:13) binding NADP(+)
T37 (≠ Q38) binding NADP(+)
NV 59:60 (≠ DV 60:61) binding NADP(+)
N86 (= N87) binding NADP(+)
Y151 (= Y152) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YSAAK 152:156) binding NADP(+)
A154 (= A155) 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 (≠ C185) binding NADP(+)
E233 (≠ A234) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

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)
43% identity, 98% coverage: 4:244/246 of query aligns to 9:246/247 of 3op4A

query
sites
3op4A

R

K

I

V

A

A

V

L

V

V

T

T

G
|
G

G

A

L
x
S

G
x
R

G

G

L
x
I

G

G

T

K

A

A

I

I

C

A

R

E

H

L

L

L

A

A

R

E

A

R

G

G

H

A

R

K

V

V

V

I

-

G

A

T

A

A

D
x
T

L

S

D

E

G

S

Q

G

A

A

E

Q

R

A

L

I

A

S

A

D

F

Y

E

-

T

-

A

-

M

-

H

L

G

G

L

D

E

N

V

G

E

K

F

G

A

M

A

A

L

L

D
x
N

V
|
V

A

T

D

N

F

P

D

E

A

S

C

I

G

E

R

A

F

V

V

L

A

K

D

A

V

I

Q

T

A

D

R

E

H

F

G

G

A

G

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I
|
I

T

T

R

R

D

D

V

N

T

L

L

L

R

M

K

R

M

M

D

K

R

E

A

E

Q

E

W

W

Q

S

D

D

V

I

V

M

D

E

V

T

N

N

L

L

G

T

S

S

V

I

F

F

N

R

L

L

C

S

R

K

H

A

A

V

V

L

G

R

G

G

M

M

V

M

E

K

R

K

G

R

F

Q

G

G

R

R

I

I

V

I

N

N

L
x
V

S

G

S
|
S

V

V

N

V

G

G

Q

T

T

M

G

G

Q

N

F

A

G

G

Q

Q

T

A

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

M

V

H

I

G

G

F

F

T

T

M

K

A

S

L

M

A

A

R

R

E

E

V

V

A

A

R

S

K

R

G

G

V

V

T

T

V

V

N

N

T

T

V

V

S

A

P
|
P

G
|
G

Y

F

C
x
I

E

E

T
|
T

A

D

L
x
M

V

T

M

K

R

A

M

L

P

N

E

D

A

E

I

Q

R

R

A

T

G

A

I

T

V

L

E

A

Q

Q

V

V

P

P

V

A

G

G

R

R

L

L

G

G

R

D

P

P

E

R

E

E

I

I

A

A

R

S

A

A

V

V

A

A

F

F

L

L

V

A

D

S

E

P

E

E

A

A

G

A

F

Y

V

I

T

T

G

G

A

E

N

T

L

L

P

H

V

V

N

N

G

G

L

M

F

Y

M

M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G10), S17 (≠ L12), R18 (≠ G13), I20 (≠ L15), T40 (≠ D34), N62 (≠ D60), V63 (= V61), N89 (= N87), A90 (= A88), I92 (= I90), V139 (≠ L137), S141 (= S139), Y154 (= Y152), K158 (= K156), P184 (= P182), G185 (= G183), I187 (≠ C185), T189 (= T187), M191 (≠ L189)

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
44% identity, 98% coverage: 4:244/246 of query aligns to 5:242/243 of 1q7bA

query
sites
1q7bA

R

K

I

I

A

A

V

L

V

V

T

T

G
|
G

G

A

L
x
S

G
x
R

G
|
G

L

I

G

G

T

R

A

A

I

I

C

A

R

E

H

T

L

L

A

A

R

A

A

R

G

G

H

A

R

K

V

V

V

I

A

G

A

T

D

-

L

-

D

-

G

A

Q
x
T

A

S

E

E

R

N

L

G

A

A

A

Q

F

A

E

I

T

S

A

D

M

Y

H

L

G

G

L

A

E

N

V

G

E

K

F

G

A

L

A

M

L

L

D
x
N

V
|
V

A

T

D

D

F

P

D

A

A

S

C

I

G

E

R

S

F

V

V

L

A

E

D

K

V

I

Q

R

A

A

R

E

H

F

G

G

A

E

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

V

N

T

L

L

L

R

M

K

R

M

M

D

K

R

D

A

E

Q
x
E

W

W

Q

N

D

D

V

I

D

E

V

T

N

N

L

L

G

S

S

S

V

V

F

F

N

R

L

L

C

S

R

K

H

A

A

V

V

M

G

R

G

A

M

M

V

M

E

K

R

K

G

R

F

H

G

G

R

R

I

I

V

I

N

T

L

I

S

G

S
|
S

V

V

N

V

G

G

Q

T

T

M

G

G

Q

N

F

G

G

G

Q
|
Q

T

A

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

M

L

H

I

G

G

F

F

T

S

M

K

A

S

L

L

A

A

R

R

E

E

V

V

A

A

R

S

K

R

G

G

V

I

T

T

V

V

N

N

T

V

V

V

S

A

P
|
P

G
|
G

Y

F

C
x
I

E

E

T

T

A

D

L

M

V

T

M

R

R

A

M

L

P

S

E

D

A

D

I

Q

R

R

A

A

G

G

I

I

V

L

E

A

Q

Q

V

V

P

P

V

A

G

G

R

R

L

L

G

G

R

G

P

A

E

Q

E

E

I

I

A

A

R

N

A

A

V

V

A

A

F

F

L

L

V

A

D

S

E

D

E

E

A

A

G

A

F

Y

V

I

T

T

G

G

A
x
E

N
x
T

L

L

P

H

V

V

N

N

G

G

L

M

F

Y

M

M

active site: G15 (= G14), E101 (≠ Q103), S137 (= S139), Q147 (= Q149), Y150 (= Y152), K154 (= K156)
binding calcium ion: E232 (≠ A234), T233 (≠ N235)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G10), S13 (≠ L12), R14 (≠ G13), T36 (≠ Q38), N58 (≠ D60), V59 (= V61), N85 (= N87), A86 (= A88), G87 (= G89), I88 (= I90), S137 (= S139), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (= G183), I183 (≠ C185)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
43% identity, 98% coverage: 4:244/246 of query aligns to 6:243/244 of 6t77A

query
sites
6t77A

R

K

I

I

A

A

V

L

V

V

T

T

G
|
G

G

A

L
x
S

G
x
R

G
|
G

L

I

G

G

T

R

A

A

I

I

C

A

R

E

H

T

L

L

A

V

R

A

A

R

G

G

H

A

R

K

V

V

V

I

-

G

A

T

A

A

D
x
T

L

S

D

E

G

S

Q

G

A

A

E

Q

R

A

L

I

A

S

A

D

F

Y

E

-

T

-

A

-

M

-

H

L

G

G

L

A

E

N

V

G

E

K

F

G

A

L

A

M

L
|
L

D
x
N

V
|
V

A

T

D

D

F

P

D

A

A

S

C

I

G

E

R

S

F

V

V

L

A

E

D

N

V

V

Q

R

A

A

R

E

H

F

G

G

A

E

L

V

D

D

V

I

L

L

V

V

N

N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

V

N

T

L

L

L

R

M

K

R

M

M

D

K

R

D

A

D

Q

E

W

W

Q

N

D

D

V

I

D

E

V

T

N

N

L

L

G

S

S

S

V

V

F

F

N

R

L

L

C

S

R

K

H

A

A

V

V

M

G

R

G

A

M

M

V

M

E

K

R

K

G

R

F

H

G

G

R

R

I

I

V

I

N

T

L

I

S

G

S
|
S

V

V

N

V

G

G

Q

T

T

M

G

G

Q

N

F

A

G

G

Q

Q

T

A

N

N

Y
|
Y

S

A

A

A

K

K

A

A

G

G

M

L

H

I

G

G

F

F

T

S

M

K

A

S

L

L

A

A

R

R

E

E

V

V

A

A

R

S

K

R

G

G

V

I

T

T

V

V

N

N

T

V

V

V

S

A

P

P

G

G

Y

F

C

I

E

E

T

T

A

D

L

M

V

T

M

R

R

A

M

L

P

T

E

D

A

E

I

Q

R

R

A

A

G

G

I

T

V

L

E

A

Q

A

V

V

P

P

V

A

G

G

R

R

L

L

G

G

R

T

P

P

E

N

E

E

I

I

A

A

R

S

A

A

V

V

A

A

F

F

L

L

V

A

D

S

E

D

E

E

A

A

G

S

F

Y

V

I

T

T

G

G

A

E

N

T

L

L

P

H

V

V

N

N

G

G

L

M

F

Y

M

M

active site: G16 (= G14), S138 (= S139), Y151 (= Y152)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G10), S14 (≠ L12), R15 (≠ G13), T37 (≠ D34), L58 (= L59), N59 (≠ D60), V60 (= V61), A87 (= A88), G88 (= G89), I89 (= 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)
43% identity, 98% coverage: 4:244/246 of query aligns to 6:243/244 of P0A2C9

query
sites
P0A2C9

R

K

I

I

A

A

V

L

V

V

T

T

G

G

G

A

L

S

G

R

G

G

L

I

G

G

T

R

A

A

I

I

C

A

R

E

H

T

L

L

A

V

R

A

A

R

G

G

H

A

R

K

V

V

V

I

-

G

A

T

A

A

D

T

L

S

D

E

G

N

Q

G

A

A

E

K

R

N

L

I

A

S

A

D

F

Y

E

-

T

-

A

-

M

-

H

L

G

G

L

A

E

N

V

G

E

K

F

G

A

L

A

M

L

L

D

N

V

V

A

T

D

D

F

P

D

A

A

S

C

I

G

E

R

S

F

V

V

L

A

E

D

N

V

I

Q

R

A

A

R

E

H

F

G

G

A

E

L

V

D

D

V

I

L

L

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

V

N

T

L

L

L

R

M

K

R

M

M

D

K

R

D

A

D

Q

E

W

W

Q

N

D

D

V

I

D

E

V

T

N

N

L

L

G

S

S

S

V

V

F

F

N

R

L

L

C

S

R

K

H

A

A

V

V

M

G

R

G

A

M
|
M

V

M

E

K

R

K

G

R

F

C

G

G

R

R

I

I

V

I

N

T

L

I

S

G

S

S

V

V

N

V

G

G

Q

T

T

M

G

G

Q

N

F

A

G

G

Q

Q

T

A

N

N

Y

Y

S

A

A

A

K

K

A

A

G

G

M

L

H

I

G

G

F

F

T

S

M

K

A

S

L

L

A

A

R

R

E

E

V

V

A

A

R

S

K

R

G

G

V

I

T

T

V

V

N

N

T

V

V

V

S

A

P

P

G

G

Y

F

C

I

E

E

T

T

A

D

L

M

V

T

M

R

R

A

M

L

P

S

E

D

A

D

I

Q

R

R

A

A

G

G

I

I

V

L

E

A

Q

Q

V

V

P

P

V

A

G

G

R

R

L

L

G

G

R

G

P

A

E

Q

E

E

I

I

A

A

R

S

A

A

V

V

A

A

F

F

L

L

V
x
A

D
x
S

E

D

E

E

A

A

G

S

F

Y

V

I

T

T

G

G

A

E

N

T

L

L

P

H

V

V

N

N

G

G

L

M

F

Y

M

M

M125 (= M126) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (≠ V224) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (≠ D225) mutation to F: Distorts the local conformation and prevent stacking around Phe-221. The S224F mutation would additionally disrupt the hydrogen bond formed between Ser-224 and Glu-226.

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
43% identity, 98% coverage: 4:244/246 of query aligns to 5:242/243 of 1q7cA

query
sites
1q7cA

R

K

I

I

A

A

V

L

V

V

T

T

G
|
G

G

A

L
x
S

G
x
R

G
|
G

L

I

G

G

T

R

A

A

I

I

C

A

R

E

H

T

L

L

A

A

R

A

A

R

G

G

H

A

R

K

V

V

V

I

A

G

A

T

D

-

L

-

D

-

G
x
A

Q
x
T

A

S

E

E

R

N

L

G

A

A

A

Q

F

A

E

I

T

S

A

D

M

Y

H

L

G

G

L

A

E

N

V

G

E

K

F

G

A

L

A

M

L
|
L

D
x
N

V
|
V

A

T

D

D

F

P

D

A

A

S

C

I

G

E

R

S

F

V

V

L

A

E

D

K

V

I

Q

R

A

A

R

E

H

F

G

G

A

E

L

V

D

D

V

I

L

L

V

V

N

N

A

A

G
|
G

I
|
I

T

T

R

R

D

D

V

N

T

L

L

L

R

M

K

R

M

M

D

K

R

D

A

E

Q

E

W

W

Q

N

D

D

V

I

D

E

V

T

N

N

L

L

G

S

S

S

V

V

F

F

N

R

L

L

C

S

R

K

H

A

A

V

V

M

G

R

G

A

M

M

V

M

E

K

R

K

G

R

F

H

G

G

R

R

I

I

V

I

N

T

L

I

S

G

S
|
S

V

V

N

V

G

G

Q

T

T

M

G

G

Q

N

F

G

G

G

Q
|
Q

T

A

N

N

Y
x
F

S

A

A

A

K
|
K

A

A

G

G

M

L

H

I

G

G

F

F

T

S

M

K

A

S

L

L

A

A

R

R

E

E

V

V

A

A

R

S

K

R

G

G

V

I

T

T

V

V

N

N

T

V

V

V

S

A

P

P

G

G

Y

F

C

I

E

E

T

T

A

D

L

M

V

T

M

R

R

A

M

L

P

S

E

D

A

D

I

Q

R

R

A

A

G

G

I

I

V

L

E

A

Q

Q

V

V

P

P

V

A

G

G

R

R

L

L

G

G

R

G

P

A

E

Q

E

E

I

I

A

A

R

N

A

A

V

V

A

A

F

F

L

L

V

A

D

S

E

D

E

E

A

A

G

A

F

Y

V

I

T

T

G

G

A

E

N

T

L

L

P

H

V

V

N

N

G

G

L

M

F

Y

M

M

active site: G15 (= G14), S137 (= S139), Q147 (= Q149), F150 (≠ Y152), K154 (= K156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G10), S13 (≠ L12), R14 (≠ G13), A35 (≠ G37), T36 (≠ Q38), L57 (= L59), N58 (≠ D60), V59 (= V61), G87 (= G89), I88 (= I90)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
43% identity, 98% coverage: 4:244/246 of query aligns to 9:242/243 of 4i08A

query
sites
4i08A

R

K

I

V

A

A

V

L

V

V

T

T

G
|
G

G

A

L
x
S

G
x
R

G
|
G

L
x
I

G

G

T

K

A

A

I

I

C

A

R

E

H

L

L

L

A

A

R

E

A

R

G

G

H

A

R

K

V

V

V

I

-

G

A

T

A

A

D
x
T

L

S

D

E

G

S

Q

G

A

A

E

Q

R

A

L

I

A

S

A

D

F

Y

E

-

T

-

A

-

M

-

H

L

G

G

L

D

E

N

V

G

E

K

F

G

A

M

A

A

L

L

D
x
N

V
|
V

A

T

D

N

F

P

D

E

A

S

C

I

G

E

R

A

F

V

V

L

A

K

D

A

V

I

Q

T

A

D

R

E

H

F

G

G

A

G

L

V

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

V

N

T

L

L

L

R

M

K

R

M

M

D

K

R

E

A

E

Q

E

W

W

Q

S

D

D

V

I

V

M

D

E

V

T

N
|
N

L

L

G

T

S

S

V

I

F

F

N

R

L

L

C

S

R

K

H

A

A

V

V

L

G

R

G

G

M

M

V

M

E

K

R

K

G

R

F

Q

G

G

R

R

I

I

V

I

N

N

L

V

S
x
G

S
|
S

V

V

N

V

G

G

Q

T

T

M

G

G

Q

N

F

A

G

G

Q
|
Q

T

A

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

M

V

H

I

G

G

F

F

T

T

M

K

A

S

L

M

A

A

R

R

E

E

V

V

A

A

R

S

K

R

G

G

V

V

T

T

V

V

N

N

T

T

V

V

S

A

P
|
P

G
|
G

Y

F

C

I

E

E

T
|
T

A

-

L

-

V

-

M

-

R

D

M

M

P

N

E

D

A

E

I

Q

R

R

A

T

G

A

I

T

V

L

E

A

Q

Q

V

V

P

P

V

A

G

G

R

R

L

L

G

G

R

D

P

P

E

R

E

E

I

I

A

A

R

S

A

A

V

V

A

A

F

F

L

L

V

A

D

S

E

P

E

E

A

A

G

A

F

Y

V

I

T

T

G

G

A

E

N

T

L

L

P

H

V

V

N

N

G

G

L

M

F

Y

M

M

active site: G19 (= G14), N113 (= N111), S141 (= S139), Q151 (= Q149), Y154 (= Y152), K158 (= K156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G10), S17 (≠ L12), R18 (≠ G13), I20 (≠ L15), T40 (≠ D34), N62 (≠ D60), V63 (= V61), N89 (= N87), A90 (= A88), G140 (≠ S138), S141 (= S139), Y154 (= Y152), K158 (= K156), P184 (= P182), G185 (= G183), T189 (= T187)

4nbwA Crystal structure of fabg from plesiocystis pacifica (see paper)
45% identity, 98% coverage: 3:242/246 of query aligns to 1:249/253 of 4nbwA

query
sites
4nbwA

K

K

R

R

I

V

A

A

V

I

T

T

G
|
G

G

A

L

A

G
x
N

G
|
G

L
x
I

G

G

T

R

A

A

I

T

C

A

R

L

H

E

L

F

A

A

R

Q

A

A

G

G

H

Y

R

H

V

V

A

A

A

W

D
|
D

L
|
L

D

A

G

E

Q

E

A

A

E

G

R

A

L

A

A

L

A

I

F

A

E

E

T

I

A

A

M

D

H

A

G

G

L

G

E

S

V

A

E

D

F

F

A

A

A

R

L
x
V

D
|
D

V
|
V

A

S

D

A

F

A

D

E

A

S

C

V

G

E

R

A

F

A

V

V

A

A

D

E

V

I

Q

I

A

A

R

E

H

H

G

G

A

R

L

V

D

D

V

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

T

L

R

H

D

D

V

G

T

Q

L

L

-

V

-

K

-

V

-

K

-

G

-

E

-

V

R

K

K

K

M

M

D

A

R

E

A

A

Q

Q

W

F

Q

D

D

A

V

V

V

I

D

S

V

V

N

N

L

L

G

K

S

G

V

V

F

F

N

-

L

L

C

C

R

T

H

Q

A

A

V

V

G

A

G

P

-

H

M

M

V

I

E

A

R

A

G

K

F

Y

G

G

R

R

I

I

V

L

N

N

L

A

S

S

S
|
S

V

V

N

V

G

G

Q

L

T

Y

G

G

Q

N

F

F

G

G

Q

Q

T

T

N

N

Y
|
Y

S

V

A

A

K
|
K

A

S

G

G

M

V

H

I

G

G

F

M

T

T

M

K

A

V

L

W

A

A

R

R

E

E

V

L

A

G

R

R

K

Y

G

G

V

I

T

T

V

V

N

N

T

A

V

I

S

A

P

P

G

G

Y

F

C
x
I

E

A

T
|
T

A

E

L

M

V

V

M

Q

R

Q

M

M

P

P

E

E

A

R

I

V

R

L

A

E

G

A

I

M

V

V

E

A

Q

R

V

T

P

P

V

V

G

G

R

R

L

I

G

G

R

D

P

P

E

V

E

D

I

I

A

A

R

R

A

A

V

Y

A

L

F

F

L

L

V

A

D

S

E

E

A

S

G

G

F

F

V

I

T

S

G

G

A

T

N

T

L

L

P

S

V

V

N

D

G

G

L

M

active site: G12 (= G14), S146 (= S139), Y159 (= Y152), K163 (= K156)
binding nicotinamide-adenine-dinucleotide: G8 (= G10), N11 (≠ G13), G12 (= G14), I13 (≠ L15), D32 (= D34), L33 (= L35), V57 (≠ L59), D58 (= D60), V59 (= V61), N85 (= N87), A86 (= A88), G87 (= G89), S146 (= S139), Y159 (= Y152), K163 (= K156), I192 (≠ C185), T194 (= T187)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
40% identity, 99% coverage: 3:245/246 of query aligns to 5:244/244 of 6t62A

query
sites
6t62A

K

R

R

K

I

V

A

A

V

L

V

V

T

T

G
|
G

G

A

L
x
S

G
x
R

G
|
G

L

I

G

G

T

A

A

A

I

I

C

A

R

Q

H

Q

L

L

A

I

R

Q

A

D

G

G

H

Y

R

F

V

V

-

G

A

T

A
|
A

D
x
T

L

S

D

E

G

S

Q

G

A

A

E

Q

R

K

L

L

A

T

-

D

A

S

F

F

E

G

T

E

A

Q

M

G

H

A

G

G

L

L

E

-

V

-

E

-

F

-

A

-

A

A

L
|
L

D
|
D

V
|
V

A

R

D

N

F

L

D

D

A

E

C

I

G

E

R

A

F

V

V

V

A

S

D

H

V

I

Q

E

A

Q

R

N

H

Y

G

G

A

P

L

V

D

L

V

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

K

D

D

V

N

T

L

L

L

R

L

K

R

M

M

D

S

R

E

A

D

Q

D

W

W

Q

D

D

D

V

I

V

L

D

N

V

I

N

H

L

L

G

K

S

A

V

V

F

Y

N

R

L

L

C

S

R

K

H

R

A

V

V

L

G

K

G

G

M

M

V

T

E

K

R

A

G

R

F

F

G

G

R

R

I

I

V

I

N

N

L
x
I

S
|
S

V

V

N

V

G

A

Q

H

T

F

G

A

Q

N

F

P

G

G

Q

Q

T

A

N

N

Y
|
Y

S

S

A

A

K
|
K

A

A

G

G

M

I

H

E

G

A

F

F

T

S

M

R

A

S

L

L

A

A

R

K

E

E

V

M

A

G

R

S

K

R

G

Q

V

I

T

T

V

V

N

N

T

S

V

V

S

A

P
|
P

G
|
G

Y

F

C
x
I

E

A

T

T

A

E

L
x
M

V

T

M

D

R

A

M

L

P

S

E

E

A

D

I

I

R

R

A

K

G

K

I

M

V

S

E

D

Q

Q

V

V

P

A

V

L

G

N

R

R

L

L

G

G

R

E

P

P

E

Q

E

D

I

I

A

A

R

N

A

A

V

V

A

S

F

F

L

L

V

A

D

S

E

D

E

K

A

A

G

G

F

Y

V

I

T

T

G

G

A

T

N

V

L

L

P

H

V

V

N

N

G

G

L

L

F

Y

M

M

S

A

active site: G16 (= G14), S138 (= S139), Y151 (= Y152)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G10), S14 (≠ L12), R15 (≠ G13), A36 (= A33), T37 (≠ D34), L58 (= L59), D59 (= D60), V60 (= V61), N86 (= N87), A87 (= A88), G88 (= G89), I89 (= I90), I136 (≠ L137), S137 (= S138), S138 (= S139), Y151 (= Y152), K155 (= K156), P181 (= P182), G182 (= G183), I184 (≠ C185), M188 (≠ L189)

6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
40% identity, 99% coverage: 3:245/246 of query aligns to 5:244/244 of 6wprA

query
sites
6wprA

K

R

R

K

I

V

A

A

V

L

V

V

T

T

G
|
G

G

A

L
x
S

G
x
R

G
|
G

L

I

G

G

T

A

A

A

I

I

C

A

R

Q

H

Q

L

L

A

I

R

Q

A

D

G

G

H

Y

R

F

V

V

-

G

A

T

A

A

D
x
T

L

S

D

E

G

S

Q

G

A

A

E

Q

R

K

L

L

A

T

-

D

A

S

F

F

E

G

T

E

A

Q

M

G

H

A

G

G

L

L

E

-

V

-

E

-

F

-

A

-

A

A

L
|
L

D
|
D

V
|
V

A

R

D

N

F

L

D

D

A

E

C

I

G

E

R

A

F

V

V

V

A

S

D

H

V

I

Q

E

A

Q

R

N

H

Y

G

G

A

P

L

V

D

L

V

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

K

D

D

V

N

T

L

L

L

R

L

K

R

M

M

D

S

R

E

A

D

Q

D

W

W

Q

D

D

D

V

I

V

L

D

N

V

I

N

H

L

L

G

K

S

A

V

V

F

Y

N

R

L

L

C

S

R

K

H

R

A

V

V

L

G

K

G

G

M

M

V

T

E

K

R

A

G

R

F

F

G

G

R

R

I

I

V

I

N

N

L
x
I

S

S

S
|
S

V

V

N

V

G

A

Q

H

T

F

G

A

Q

N

F

P

G

G

Q

Q

T

A

N

N

Y
|
Y

S

S

A

A

K
|
K

A

A

G

G

M

I

H

E

G

A

F

F

T

S

M

R

A

S

L

L

A

A

R

K

E

E

V

M

A

G

R

S

K

R

G

Q

V

I

T

T

V

V

N

N

T

S

V

V

S

A

P
|
P

G

G

Y

F

C

I

E

A

T

T

A

E

L

M

V

T

M

D

R

A

M

L

P

S

E

E

A

D

I

I

R

R

A

K

G

K

I

M

V

S

E

D

Q

Q

V

V

P

A

V

L

G

N

R

R

L

L

G

G

R

E

P

P

E

Q

E

D

I

I

A

A

R

N

A

A

V

V

A

S

F

F

L

L

V

A

D

S

E

D

E

K

A

A

G

G

F

Y

V

I

T

T

G

G

A

T

N

V

L

L

P

H

V

V

N

N

G

G

L

L

F

Y

M

M

S

A

active site: G16 (= G14), S138 (= S139), Y151 (= Y152)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G10), S14 (≠ L12), R15 (≠ G13), T37 (≠ D34), L58 (= L59), D59 (= D60), V60 (= V61), N86 (= N87), A87 (= A88), G88 (= G89), I89 (= I90), I136 (≠ L137), Y151 (= Y152), K155 (= K156), P181 (= P182)

4nbtA Crystal structure of fabg from acholeplasma laidlawii (see paper)
42% identity, 97% coverage: 4:242/246 of query aligns to 6:237/239 of 4nbtA

query
sites
4nbtA

R

K

I

V

A

A

V

V

V

I

T

T

G
|
G

G

G

L

A

G
x
K

G
|
G

L
|
L

G

G

T

Q

A

A

I

I

C

A

R

L

H

A

L

Y

A

A

R

E

A

E

G

G

H

A

R

K

V

V

V

I

A

A

A

G

D
|
D

L
|
L

D

G

G

-

Q

-

A

-

E

-

R

-

L

-

A

-

F

-

E

D

T

L

A

T

M

Y

H

S

G

H

L

P

E

N

V

V

E

E

F

G

A

M

A

Y

L
|
L

D
x
N

V
|
V

A

T

D

D

F

V

D

T

A

G

C

V

G

E

R

K

F

F

V

Y

A

Q

D

S

V

V

Q

I

A

D

R

K

H

Y

G

G

A

K

L

I

D

D

V

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

T

T

R

K

D

D

V

A

T

M

L

T

R

R

K

K

M

M

D

T

R

E

A

A

Q

Q

W

W

Q

D

D

A

V

V

V

I

D

D

V

V

N

N

L

L

G

K

S

G

V

V

F

F

N

N

L

L

C

T

R

R

H

L

A

V

V

G

G

P

G

Q

M

M

V

Q

E

T

R

N

G

G

F

Y

G

G

R

S

I

I

V

I

N

N

L
x
I

S

S

S
|
S

V

V

N

V

G

G

Q

V

T

F

G

G

Q

N

F

I

G

G

Q

Q

T

A

N

N

Y
|
Y

S

A

A

A

A

T

K
|
K

A

A

G

G

M

V

H

I

G

G

F

L

T

T

M

M

A

T

L

W

A

A

R

K

E

E

V

F

A

A

R

L

K

K

G

G

-

A

-

N

V

V

T

R

V

V

N

N

T

A

V

I

S

A

P
|
P

G
|
G

Y

Y

C
x
I

E

M

T
|
T

A

D

L

I

V

L

M

K

R

T

M

V

P

P

E

Q

A

D

I

L

R

L

A

D

G

K

I

F

V

A

E

A

Q

L

V

T

P

M

V

L

G

N

R

R

L

L

G

G

R

Q

P

P

E

E

I

I

A

A

R

K

A

V

V

A

A

L

F

F

L

L

V

A

D

S

E

D

A

A

G

S

F

Y

V

V

T

T

G

G

A

Q

N

T

L

I

P

N

V

V

N

N

G

G

L

M

active site: G16 (= G14), S132 (= S139), Y145 (= Y152), K149 (= K156)
binding nicotinamide-adenine-dinucleotide: G12 (= G10), K15 (≠ G13), G16 (= G14), L17 (= L15), D36 (= D34), L37 (= L35), L52 (= L59), N53 (≠ D60), V54 (= V61), N80 (= N87), A81 (= A88), G82 (= G89), I130 (≠ L137), S132 (= S139), Y145 (= Y152), K149 (= K156), P177 (= P182), G178 (= G183), I180 (≠ C185), T182 (= T187)

4bnzA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 1-methyl-n-phenylindole- 3-carboxamide at 2.5a resolution (see paper)
41% identity, 100% coverage: 1:245/246 of query aligns to 5:241/241 of 4bnzA

query
sites
4bnzA

M

L

S

Q

K

G

R

K

I

V

A

A

V

L

V

V

T

T

G

G

G

A

L

S

G

R

G
|
G

L

I

G

G

T

Q

A

A

I

I

C

A

R

L

H

E

L

L

A

G

R

R

A

L

G

G

H

A

R

V

V

V

V

I

A

G

A

T

D

A

L

T

D

S

G

A

Q

S

-

G

A

A

E

E

R

K

L

I

A

A

A

E

F

T

E

L

T

K

A

A

M

-

H

N

G

G

L

V

E

E

V

G

E

A

F

G

A

L

A

V

L

L

D

D

V

V

A

S

D

S

F

D

D

E

A

S

C

V

G

A

R

A

F

T

V

L

A

E

D

H

V

I

Q

Q

A

Q

R

H

H

L

G

G

A

Q

L

P

D

L

V

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

V

-

T

-

L

-

R

-

K

R

M

M

D

K

R

D

A

D

Q

E

W

W

Q
x
F

D

D

V

V

V
|
V

D

N

V

T

N

N

L
|
L

G

N

S

S

V

L

F

Y

N

R

L

L

C

S

R

K

H

A

A

V

V

L

G

R

G

G

M

M

V

T

E

K

R

A

G

R

F

W

G

G

R

R

I

I

V

I

N

N

L

I

S

G

S
|
S

V

V

N

V

G

G

Q

A

T

M

G

G

Q

N

F

A

G

G

Q

Q

T

T

N

N

Y
|
Y

S

A

A
|
A

A

A

K
|
K

A

A

G
|
G

M

L

H

E

G

G

F
|
F

T

T

M

R

A

A

L

L

A

A

R

R

E

E

V

V

A

G

R

S

K

R

G

A

V

I

T

T

V

V

N

N

T

A

V

V

S

A

P

P

G

G

Y

F

C

I

E

D

T

T

A

D

L

M

V

T

M

R

R

E

M

L

P

P

E

E

A

A

I

Q

R

R

A

E

G

A

I

L

V

L

E

G

Q

Q

V

I

P

P

V

L

G

G

R

R

L

L

G

G

R

Q

P

A

E

E

I

I

A

A

R

K

A

V

V

V

A

G

F

F

L

L

V

A

D

S

E

D

E

G

A

A

G

A

F

Y

V

V

T

T

G

G

A

A

N

T

L

V

P

P

V

V

N

N

G

G

L

M

F

Y

M

M

S

S

active site: G18 (= G14), S135 (= S139), Y148 (= Y152), K152 (= K156)
binding 1-methyl-N-phenyl-indole-3-carboxamide: F101 (≠ Q105), V104 (= V108), L108 (= L112), A150 (= A154), G154 (= G158), F158 (= F162)

Query Sequence

>WP_024890661.1 NCBI__GCF_000559025.1:WP_024890661.1
MSKRIAVVTGGLGGLGTAICRHLARAGHRVVAADLDGQAERLAAFETAMHGLEVEFAALD
VADFDACGRFVADVQARHGALDVLVNNAGITRDVTLRKMDRAQWQDVVDVNLGSVFNLCR
HAVGGMVERGFGRIVNLSSVNGQTGQFGQTNYSAAKAGMHGFTMALAREVARKGVTVNTV
SPGYCETALVMRMPEAIRAGIVEQVPVGRLGRPEEIARAVAFLVDEEAGFVTGANLPVNG
GLFMSF

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