SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 353297 BT3771 3-oxoacyl-[acyl-carrier protein] reductase (NCBI ptt file) 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)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
53% identity, 98% coverage: 7:248/248 of query aligns to 5:246/246 of 3osuA

query
sites
3osuA

K

K

T

S

A

A

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L

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V

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T

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G

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L

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E

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I

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D

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L

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M

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K

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E

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W

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M

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I

N

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N

L

L

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K

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A

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F

C

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C

A

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P

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G

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I

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S
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S

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G

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A

H

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G

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Q

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Y

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K

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E

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F

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L

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R

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F

F

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Y

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active site: G15 (= G17), S141 (= S143), Q151 (= Q153), Y154 (= Y156), K158 (= K160)
binding magnesium ion: N89 (= N91), K158 (= K160)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
52% identity, 98% coverage: 7:248/248 of query aligns to 2:239/239 of 3sj7A

query
sites
3sj7A

K

K

T

S

A

A

I

L

V

V

T

T

G
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G

A

A

A
x
S

R
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R

G
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G

I
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I

G

G

K

R

A

S

I

I

A

A

L

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Q

F

L

A

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E

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G

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Y

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x
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D
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Y

L
x
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I
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E

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E

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T

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D

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M

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active site: G12 (= G17), S138 (= S143), Q148 (= Q153), Y151 (= Y156), K155 (= K160)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G13), S10 (≠ A15), R11 (= R16), I13 (= I18), N31 (≠ T36), Y32 (≠ D37), A33 (≠ L38), G34 (≠ V39), S35 (≠ I40), A58 (≠ S63), N59 (= N64), V60 (≠ A65), N86 (= N91), A87 (= A92), T109 (≠ V114), S138 (= S143), Y151 (= Y156), K155 (= K160), P181 (= P186), G182 (= G187)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
54% identity, 99% coverage: 4:248/248 of query aligns to 3:247/247 of 4jroC

query
sites
4jroC

L

L

D

Q

G

G

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K

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A

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V

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T

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G

A

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A
x
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R

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I
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I

G

G

K

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I

I

A

A

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F

L

A

A

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E

E

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F

T
x
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D
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Y

L
x
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I
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E

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A

N

N

I

A

A

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L

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M

active site: G16 (= G17), S142 (= S143), Q152 (= Q153), Y155 (= Y156), K159 (= K160)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ A15), R15 (= R16), G16 (= G17), I17 (= I18), N35 (≠ T36), Y36 (≠ D37), N37 (≠ L38), G38 (≠ V39), S39 (≠ I40), N63 (= N64), V64 (≠ A65), N90 (= N91), A91 (= A92), I93 (= I94), I113 (≠ V114), S142 (= S143), Y155 (= Y156), K159 (= K160), P185 (= P186), I188 (= I189), T190 (= T191)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
47% identity, 99% coverage: 4:248/248 of query aligns to 3:243/244 of 6t77A

query
sites
6t77A

L

F

D

E

G

G

K

K

T

I

A

A

I

L

V

V

T

T

G
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G

A

A

A
x
S

R
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R

G
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G

I

I

G

G

K

R

A

A

I

I

A

A

L

E

K

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F

L

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A

E

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G

A

A

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K

I

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A

I

F

G

T

T

D

-

L

-

V

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x
T

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E

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S

A

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E

A

K

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A

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I

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D

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Y

E

-

A

-

M

L

G

G

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K

N

A

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K

K

G

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Y

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L

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N

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A

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G

I
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I

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T

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D

G

N

L

L

M

L

M

M

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M

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E

D

Q

D

Q

E

W

W

D

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M

D

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I

I

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E

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N

L

L

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A

C

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R

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A

M

M

R

K

Q

K

K

R

A

H

G

G

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R

I

I

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T

M

I

A

G

S
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S

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V

G

G

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T

H

M

G

G

N

N

A

A

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G

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Q

A

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Y
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Y

A

A

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A

K

K

A

A

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G

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I

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E

E

L

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G

A

S

S

R

R

G

G

I

I

R

T

A

V

N

N

A

V

I

V

A

A

P

P

G

G

F

F

I

I

L

E

T

T

D

D

M

M

T

T

A

R

A

A

L

L

S

T

D

D

E

E

V

Q

R

R

A

A

E

G

W

T

A

L

K

A

I

V

P

P

L

A

R

G

R

R

G

L

G

G

T

T

P

P

E

N

D

E

V

I

A

A

N

S

I

A

A

V

T

A

F

F

L

L

A

A

S

S

D

D

M

E

S

A

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S

Y

Y

V

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S

T

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E

V

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I

L

Q

H

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D

N

G

G

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M

N

Y

M

M

active site: G16 (= G17), S138 (= S143), Y151 (= Y156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ A15), R15 (= R16), T37 (≠ I40), L58 (≠ S63), N59 (= N64), V60 (≠ A65), A87 (= A92), G88 (= G93), I89 (= I94)

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)
47% identity, 99% coverage: 4:248/248 of query aligns to 3:243/244 of P0AEK2

query
sites
P0AEK2

L

F

D

E

G

G

K

K

T

I

A

A

I

L

V

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T

T

G
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G

A
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A

A
x
S

R
|
R

G

G

I

I

G

G

K

R

A

A

I

I

A

A

L

E

K

T

F

L

A

A

E

R

G

G

A

A

N

K

I

V

A

I

F

G

T

T

D

-

L

-

V

A

I
x
T

D

S

E

E

N

N

A

G

E

A

K

Q

T

A

R

I

V

S

E

D

L

Y

E

-

A

-

M

L

G

G

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A

K

N

A

G

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K

G

G

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L

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x
V

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A

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E

F

F

G

G

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D

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V

N

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N

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A

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G

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R

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G

N

L

L

M

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M

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Q

E

W

W

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I

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F

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H

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I

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T

M

I

A

G

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S

V

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G

G

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H

M

G

G

N

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A

G

G

G

Q

Q

A

A

N

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Y
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Y

A
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A

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x
A

K
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K

A

A

G

G

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L

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I

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G

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E

E

L

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D

E

D

V

Q

R

R

A

A

E

G

W

I

A

L

K

A

K

Q

I

V

P

P

L

A

R

G

R

R

G

L

G

G

T

G

P

A

E

Q

D

E

V

I

A

A

N

N

I

A

A

V

T

A

F

F

L

L

A

A

S

S

D

D

M

E

S

A

Y

Y

V

I

S

T

G

G

Q
x
E

V

T

I

L

Q

H

V

V

D

N

G

G

M

M

N

Y

M

M

GASR 12:15 (≠ GAAR 13:16) binding
T37 (≠ I40) binding
NV 59:60 (≠ NA 64:65) binding
N86 (= N91) binding
Y151 (= Y156) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YAASK 156:160) binding
A154 (≠ S159) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K160) mutation to A: Defect in the affinity for NADPH.
I184 (= I189) binding
E233 (≠ Q238) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
47% identity, 99% coverage: 4:248/248 of query aligns to 2:242/243 of 1q7bA

query
sites
1q7bA

L

F

D

E

G

G

K

K

T

I

A

A

I

L

V

V

T

T

G
|
G

A

A

A
x
S

R
|
R

G
|
G

I

I

G

G

K

R

A

A

I

I

A

A

L

E

K

T

F

L

A

A

E

R

G

G

A

A

N

K

I

V

A

I

F

G

T

T

D

-

L

-

V

A

I
x
T

D

S

E

E

N

N

A

G

E

A

K

Q

T

A

R

I

V

S

E

D

L

Y

E

-

A

-

M

L

G

G

V

A

K

N

A

G

K

K

G

G

Y

L

A

M

S

L

N
|
N

A
x
V

A

T

N

D

F

P

E

A

D

S

T

I

A

E

K

S

V

V

V

L

E

E

E

K

I

I

H

R

K

A

D

E

F

F

G

G

R

E

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D

D

G

N

L

L

M

L

M

M

R

R

M

M

S

K

E

D

Q

E

Q
x
E

W

W

D

N

M

D

V

I

I

I

N

E

V

T

N

N

L

L

K

S

S

S

A

V

F

F

N

R

F

L

I

S

H

K

A

A

C

V

T

M

P

R

V

A

M

M

R

K

Q

K

K

R

A

H

G

G

S

R

I

I

N

T

M

I

A

G

S
|
S

V

V

G

G

V

T

H

M

G

G

N

N

A

G

G

G

Q
|
Q

A

A

N

N

Y
|
Y

A

A

S

A

K
|
K

A

A

G

G

M

L

I

I

A

G

L

F

A

S

K

K

S

S

I

L

A

A

Q

R

E

E

L

V

G

A

S

S

R

R

G

G

I

I

R

T

A

V

N

N

A

V

I

V

A

A

P
|
P

G
|
G

F

F

I
|
I

L

E

T

T

D

D

M

M

T

T

A

R

A

A

L

L

S

S

D

D

E

D

V

Q

R

R

A

A

E

G

W

I

A

L

K

A

K

Q

I

V

P

P

L

A

R

G

R

R

G

L

G

G

T

G

P

A

E

Q

D

E

V

I

A

A

N

N

I

A

A

V

T

A

F

F

L

L

A

A

S

S

D

D

M

E

S

A

Y

Y

V

I

S

T

G

G

Q
x
E

V
x
T

I

L

Q

H

V

V

D

N

G

G

M

M

N

Y

M

M

active site: G15 (= G17), E101 (≠ Q107), S137 (= S143), Q147 (= Q153), Y150 (= Y156), K154 (= K160)
binding calcium ion: E232 (≠ Q238), T233 (≠ V239)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ A15), R14 (= R16), T36 (≠ I40), N58 (= N64), V59 (≠ A65), N85 (= N91), A86 (= A92), G87 (= G93), I88 (= I94), S137 (= S143), Y150 (= Y156), K154 (= K160), P180 (= P186), G181 (= G187), I183 (= I189)

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)
48% identity, 99% coverage: 4:248/248 of query aligns to 3:243/244 of P0A2C9

query
sites
P0A2C9

L

F

D

E

G

G

K

K

T

I

A

A

I

L

V

V

T

T

G

G

A

A

A

S

R

R

G

G

I

I

G

G

K

R

A

A

I

I

A

A

L

E

K

T

F

L

A

V

A

A

E

R

G

G

A

A

N

K

I

V

A

I

F

G

T

T

D

-

L

-

V

A

I

T

D

S

E

E

N

N

A

G

E

A

K

K

T

N

R

I

V

S

E

D

L

Y

E

-

A

-

M

L

G

G

V

A

K

N

A

G

K

K

G

G

Y

L

A

M

S

L

N

N

A

V

A

T

N

D

F

P

E

A

D

S

T

I

A

E

K

S

V

V

V

L

E

E

E

N

I

I

H

R

K

A

D

E

F

F

G

G

R

E

I

V

D

D

I

I

L

L

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

G

N

L

L

M

L

M

M

R

R

M

M

S

K

E

D

Q

D

Q

E

W

W

D

N

M

D

V

I

I

I

N

E

V

T

N

N

L

L

K

S

S

S

A

V

F

F

N

R

F

L

I

S

H

K

A

A

C

V

T

M

P

R

V

A

M
|
M

M

M

R

K

Q

K

K

R

A

C

G

G

S

R

I

I

N

T

M

I

A

G

S

S

V

V

G

G

V

T

H

M

G

G

N

N

A

A

G

G

Q

Q

A

A

N

N

Y

Y

A

A

S

A

K

K

A

A

G

G

M

L

I

I

A

G

L

F

A

S

K

K

S

S

I

L

A

A

Q

R

E

E

L

V

G

A

S

S

R

R

G

G

I

I

R

T

A

V

N

N

A

V

I

V

A

A

P

P

G

G

F

F

I

I

L

E

T

T

D

D

M

M

T

T

A

R

A

A

L

L

S

S

D

D

E

D

V

Q

R

R

A

A

E

G

W

I

A

L

K

A

K

Q

I

V

P

P

L

A

R

G

R

R

G

L

G

G

T

G

P

A

E

Q

D

E

V

I

A

A

N

S

I

A

A

V

T

A

F

F

L

L

A
|
A

S
|
S

D

D

M

E

S

A

S

S

Y

Y

V

I

S

T

G

G

Q

E

V

T

I

L

Q

H

V

V

D

N

G

G

M

M

N

Y

M

M

M125 (= M130) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (= A228) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (= S229) 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)
47% identity, 99% coverage: 4:248/248 of query aligns to 2:242/243 of 1q7cA

query
sites
1q7cA

L

F

D

E

G

G

K

K

T

I

A

A

I

L

V

V

T

T

G
|
G

A

A

A
x
S

R
|
R

G
|
G

I

I

G

G

K

R

A

A

I

I

A

A

L

E

K

T

F

L

A

A

E

R

G

G

A

A

N

K

I

V

A

I

F

G

T

T

D

-

L

-

V
x
A

I
x
T

D

S

E

E

N

N

A

G

E

A

K

Q

T

A

R

I

V

S

E

D

L

Y

E

-

A

-

M

L

G

G

V

A

K

N

A

G

K

K

G

G

Y

L

A

M

S
x
L

N
|
N

A
x
V

A

T

N

D

F

P

E

A

D

S

T

I

A

E

K

S

V

V

V

L

E

E

E

K

I

I

H

R

K

A

D

E

F

F

G

G

R

E

I

V

D

D

I

I

L

L

V

V

N

N

A

A

G
|
G

I
|
I

T

T

R

R

D

D

G

N

L

L

M

L

M

M

R

R

M

M

S

K

E

D

Q

E

W

W

D

N

M

D

V

I

I

I

N

E

V

T

N

N

L

L

K

S

S

S

A

V

F

F

N

R

F

L

I

S

H

K

A

A

C

V

T

M

P

R

V

A

M

M

R

K

Q

K

K

R

A

H

G

G

S

R

I

I

N

T

M

I

A

G

S
|
S

V

V

G

G

V

T

H

M

G

G

N

N

A

G

G

G

Q
|
Q

A

A

N

N

Y
x
F

A

A

S

A

K
|
K

A

A

G

G

M

L

I

I

A

G

L

F

A

S

K

K

S

S

I

L

A

A

Q

R

E

E

L

V

G

A

S

S

R

R

G

G

I

I

R

T

A

V

N

N

A

V

I

V

A

A

P

P

G

G

F

F

I

I

L

E

T

T

D

D

M

M

T

T

A

R

A

A

L

L

S

S

D

D

E

D

V

Q

R

R

A

A

E

G

W

I

A

L

K

A

K

Q

I

V

P

P

L

A

R

G

R

R

G

L

G

G

T

G

P

A

E

Q

D

E

V

I

A

A

N

N

I

A

A

V

T

A

F

F

L

L

A

A

S

S

D

D

M

E

S

A

Y

Y

V

I

S

T

G

G

Q

E

V

T

I

L

Q

H

V

V

D

N

G

G

M

M

N

Y

M

M

active site: G15 (= G17), S137 (= S143), Q147 (= Q153), F150 (≠ Y156), K154 (= K160)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ A15), R14 (= R16), A35 (≠ V39), T36 (≠ I40), L57 (≠ S63), N58 (= N64), V59 (≠ A65), G87 (= G93), I88 (= I94)

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)
48% identity, 99% coverage: 4:248/248 of query aligns to 6:246/247 of 3op4A

query
sites
3op4A

L

L

D

E

G

G

K

K

T

V

A

A

I

L

V

V

T

T

G
|
G

A

A

A
x
S

R
|
R

G

G

I
|
I

G

G

K

K

A

A

I

I

A

A

L

E

K

L

F

L

A

A

A

E

E

R

G

G

A

A

N

K

I

V

A

I

F

G

T

T

D

-

L

-

V

A

I
x
T

D

S

E

E

N

S

A

G

E

A

K

Q

T

A

R

I

V

S

E

D

L

Y

E

-

A

-

M

L

G

G

V

D

K

N

A

G

K

K

G

G

Y

M

A

A

S

L

N
|
N

A
x
V

A

T

N

N

F

P

E

E

D

S

T

I

A

E

K

A

V

V

V

L

E

K

E

A

I

I

H

T

K

D

D

E

F

F

G

G

R

G

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I
|
I

T

T

R

R

D

D

G

N

L

L

M

L

M

M

R

R

M

M

S

K

E

E

Q

E

W

W

D

S

M

D

V

I

I

M

N

E

V

T

N

N

L

L

K

T

S

S

A

I

F

F

N

R

F

L

I

S

H

K

A

A

C

V

T

L

P

R

V

G

M

M

R

K

Q

K

K

R

A

Q

G

G

S

R

I

I

N

N

M
x
V

A

G

S
|
S

V

V

G

G

V

T

H

M

G

G

N

N

A

A

G

G

Q

Q

A

A

N

N

Y
|
Y

A

A

S

A

K
|
K

A

A

G

G

M

V

I

I

A

G

L

F

A

T

K

K

S

S

I

M

A

A

Q

R

E

E

L

V

G

A

S

S

R

R

G

G

I

V

R

T

A

V

N

N

A

T

I

V

A

A

P
|
P

G
|
G

F

F

I
|
I

L

E

T
|
T

D

D

M
|
M

T

T

A

K

A

A

L

L

S

N

D

D

E

E

V

Q

R

R

A

T

E

A

W

T

A

L

K

A

K

Q

I

V

P

P

L

A

R

G

R

R

G

L

G

G

T

D

P

P

E

R

D

E

V

I

A

A

N

S

I

A

A

V

T

A

F

F

L

L

A

A

S

S

D

P

M

E

S

A

Y

Y

V

I

S

T

G

G

Q

E

V

T

I

L

Q

H

V

V

D

N

G

G

M

M

N

Y

M

M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ A15), R18 (= R16), I20 (= I18), T40 (≠ I40), N62 (= N64), V63 (≠ A65), N89 (= N91), A90 (= A92), I92 (= I94), V139 (≠ M141), S141 (= S143), Y154 (= Y156), K158 (= K160), P184 (= P186), G185 (= G187), I187 (= I189), T189 (= T191), M191 (= M193)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
46% identity, 99% coverage: 4:248/248 of query aligns to 2:242/243 of 7emgB

query
sites
7emgB

L

F

D

E

G

G

K

K

T

I

A

V

I

L

V

V

T

T

G
|
G

A

A

A
x
S

R
|
R

G

G

I

I

G

G

K

R

A

A

I

I

A

A

L

E

K

T

F

F

A

V

A

A

E

R

G

G

A

A

N

K

I

V

A

I

F

G

T

T

D

-

L

A

V
x
T

I

S

D

E

E

S

N

G

A

A

E

E

K

A

T

I

R

S

V

G

E

Y

L

L

E

-

A

-

M

-

G

G

V

A

K

N

A

G

K

K

G

G

Y

F

A

M

S

L

N
|
N

A
x
V

A

K

N

D

F

A

E

Q

D

S

T

I

A

D

K

S

V

V

V

L

E

A

E

S

I

I

H

R

K

A

D

E

F

F

G

G

R

E

I

I

D

D

I

I

L

L

V

V

N

N

A

A

G

G

I
|
I

T

T

R

R

D

D

G

N

L

L

M

L

M

M

R

R

M

M

S

K

E

D

Q

D

Q

E

W

W

D

E

M

D

V

I

I

L

N

D

V

T

N

N

L

L

K

T

S

S

A

V

F

F

N

R

F

L

I

S

H

K

A

A

C

V

T

M

P

C

V

A

M

M

R

K

Q

K

K

R

A

F

G

G

S

R

I

I

N

T

M

I

A

G

S

S

V

V

G

G

V

T

H

M

G

G

N

N

A

A

G

G

Q

Q

A

A

N

N

Y

Y

A

A

S

A

K

K

A

A

G

G

M

L

I

I

A

G

L

F

A

S

K

K

S

S

I

L

A

A

Q

R

E

E

L

V

G

A

S

S

R

R

G

G

I

I

R

T

A

V

N

N

A

V

I

V

A

A

P

P

G

G

F

Y

I

I

L

E

T

T

D

D

M

M

T

T

A

R

A

A

L

L

S

T

D

D

E

D

V

Q

R

R

A

A

E

G

W

I

A

L

K

S

I

V

P

P

L

A

R

N

R

R

G

P

G

G

T

D

P

A

E

K

D

E

V

I

A

A

N

S

I

A

A

V

T

A

F

F

L

L

A

A

S

S

D

D

M

E

S

A

S

G

Y

Y

V

I

S

T

G

G

Q

E

V

T

I

L

Q

H

V

V

D

N

G

G

M

M

N

Y

M

M

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ A15), R14 (= R16), T36 (≠ V39), N58 (= N64), V59 (≠ A65), I88 (= I94)

4nbtA Crystal structure of fabg from acholeplasma laidlawii (see paper)
46% identity, 99% coverage: 4:248/248 of query aligns to 3:239/239 of 4nbtA

query
sites
4nbtA

L

L

D

E

G

G

K

K

T

V

A

A

I

V

V

I

T

T

G
|
G

A

G

A

A

R
x
K

G
|
G

I
x
L

G

G

K

Q

A

A

I

I

A

A

L

L

K

A

F

Y

A

A

A

E

E

E

G

G

A

A

N

K

I

V

A

I

F

A

T

G

D
|
D

L
|
L

V

G

I

-

D

D

E

L

N

T

A

Y

E

S

K

H

T

P

R

N

V

V

E

E

L

-

E

-

A

-

M

-

G

-

V

-

K

-

A

-

K

-

G

G

Y

M

A

Y

S
x
L

N
|
N

A
x
V

A

T

N

D

F

V

E

T

D

G

T

V

A

E

K

K

V

F

V

Y

E

Q

E

S

I

V

H

I

K

D

D

K

F

Y

G

G

R

K

I

I

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

I

T

T

R

K

D

D

G

A

L

M

M

T

M

R

R

K

M

M

S

T

E

E

Q

A

Q

Q

W

W

D

D

M

A

V

V

I

I

N

D

V

V

N

N

L

L

K

K

S

G

A

V

F

F

N

N

F

L

I

T

H

R

A

L

C

V

T

G

P

P

V

Q

M

M

M

Q

R

T

Q

N

K

G

A

Y

G

G

S

S

I

I

N

N

M
x
I

A

S

S
|
S

V

V

G

G

V

V

H

F

G

G

N

N

A

I

G

G

Q

Q

A

A

N

N

Y
|
Y

A

A

S

T

K
|
K

A

A

G

G

M

V

I

I

A

G

L

L

A

T

K

M

S

T

I

W

A

A

Q

K

E

E

L

F

G

A

S

L

R

K

G

G

-

A

-

N

I

V

R

R

A

V

N

N

A

A

I

I

A

A

P
|
P

G
|
G

F

Y

I
|
I

L

M

T
|
T

D

D

M

I

T

L

A

K

A

T

L

V

S

P

D

Q

E

D

V

L

R

L

A

D

E

K

W

F

A

A

K

A

K

L

I

T

P

M

L

L

R

N

R

R

G

L

G

G

T

Q

P

P

E

E

D

E

V

I

A

A

N

K

I

V

A

A

T

L

F

F

L

L

A

A

S

S

D

D

M

D

S

A

S

S

Y

Y

V

V

S

T

G

G

Q

Q

V

T

I

I

Q

N

V

V

D

N

G

G

M

M

N

R

M

L

active site: G16 (= G17), S132 (= S143), Y145 (= Y156), K149 (= K160)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), K15 (≠ R16), G16 (= G17), L17 (≠ I18), D36 (= D37), L37 (= L38), L52 (≠ S63), N53 (= N64), V54 (≠ A65), N80 (= N91), A81 (= A92), G82 (= G93), I130 (≠ M141), S132 (= S143), Y145 (= Y156), K149 (= K160), P177 (= P186), G178 (= G187), I180 (= I189), T182 (= T191)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
47% identity, 99% coverage: 4:248/248 of query aligns to 6:242/243 of 4i08A

query
sites
4i08A

L

L

D

E

G

G

K

K

T

V

A

A

I

L

V

V

T

T

G
|
G

A

A

A
x
S

R
|
R

G
|
G

I
|
I

G

G

K

K

A

A

I

I

A

A

L

E

K

L

F

L

A

A

A

E

E

R

G

G

A

A

N

K

I

V

A

I

F

G

T

T

D

-

L

-

V

A

I
x
T

D

S

E

E

N

S

A

G

E

A

K

Q

T

A

R

I

V

S

E

D

L

Y

E

-

A

-

M

L

G

G

V

D

K

N

A

G

K

K

G

G

Y

M

A

A

S

L

N
|
N

A
x
V

A

T

N

N

F

P

E

E

D

S

T

I

A

E

K

A

V

V

V

L

E

K

E

A

I

I

H

T

K

D

D

E

F

F

G

G

R

G

I

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

G

N

L

L

M

L

M

M

R

R

M

M

S

K

E

E

Q

E

W

W

D

S

M

D

V

I

I

M

N

E

V

T

N
|
N

L

L

K

T

S

S

A

I

F

F

N

R

F

L

I

S

H

K

A

A

C

V

T

L

P

R

V

G

M

M

R

K

Q

K

K

R

A

Q

G

G

S

R

I

I

N

N

M

V

A
x
G

S
|
S

V

V

G

G

V

T

H

M

G

G

N

N

A

A

G

G

Q
|
Q

A

A

N

N

Y
|
Y

A

A

S

A

K
|
K

A

A

G

G

M

V

I

I

A

G

L

F

A

T

K

K

S

S

I

M

A

A

Q

R

E

E

L

V

G

A

S

S

R

R

G

G

I

V

R

T

A

V

N

N

A

T

I

V

A

A

P
|
P

G
|
G

F

F

I

I

L

E

T
|
T

D

D

M

M

T

-

A

-

L

-

S

N

D

D

E

E

V

Q

R

R

A

T

E

A

W

T

A

L

K

A

K

Q

I

V

P

P

L

A

R

G

R

R

G

L

G

G

T

D

P

P

E

R

D

E

V

I

A

A

N

S

I

A

A

V

T

A

F

F

L

L

A

A

S

S

D

P

M

E

S

A

Y

Y

V

I

S

T

G

G

Q

E

V

T

I

L

Q

H

V

V

D

N

G

G

M

M

N

Y

M

M

active site: G19 (= G17), N113 (= N115), S141 (= S143), Q151 (= Q153), Y154 (= Y156), K158 (= K160)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ A15), R18 (= R16), I20 (= I18), T40 (≠ I40), N62 (= N64), V63 (≠ A65), N89 (= N91), A90 (= A92), G140 (≠ A142), S141 (= S143), Y154 (= Y156), K158 (= K160), P184 (= P186), G185 (= G187), T189 (= T191)

6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
42% identity, 98% coverage: 7:248/248 of query aligns to 6:243/244 of 6wprA

query
sites
6wprA

K

K

T

V

A

A

I

L

V

V

T

T

G
|
G

A

A

A
x
S

R
|
R

G
|
G

I

I

G

G

K

A

A

A

I

I

A

A

L

Q

K

Q

F

L

A

I

A

Q

E

D

G

G

A

Y

N

F

I

V

A

V

F

G

T

T

D

-

L

A

V
x
T

I

S

D

E

E

S

N

G

A

A

E

Q

K

K

T

L

R

T

V

-

E

-

L

-

E

D

A

S

M

F

G

G

V

E

K

Q

A

G

K

A

G

G

Y

L

A

A

S
x
L

N
x
D

A
x
V

A

R

N

N

F

L

E

D

D

E

T

I

A

E

K

A

V

V

E

S

E

H

I

I

H

E

K

Q

D

N

F

Y

G

G

R

P

I

V

D

L

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

K

D

D

G

N

L

L

M

L

R

R

M

M

S

S

E

E

Q

D

W

W

D

D

M

D

V

I

I

L

N

N

V

I

N

H

L

L

K

K

S

A

A

V

F

Y

N

R

F

L

I

S

H

K

A

R

C

V

T

L

P

K

V

G

M

M

M

T

R

K

Q

A

K

R

A

F

G

G

S

R

I

I

N

N

M
x
I

A

S

S
|
S

V

V

G

A

V

H

H

F

G

A

N

N

A

P

G

G

Q

Q

A

A

N

N

Y
|
Y

A

S

A

A

S

A

K
|
K

A

A

G

G

M

I

I

E

A

A

L

F

A

S

K

R

S

S

I

L

A

A

Q

K

E

E

L

M

G

G

S

S

R

R

G

Q

I

I

R

T

A

V

N

N

A

S

I

V

A

A

P
|
P

G

G

F

F

I

I

L

A

T

T

D

E

M

M

T

T

A

D

A

A

L

L

S

S

D

E

E

D

V

I

R

R

A

K

E

K

W

M

A

S

K

D

K

Q

I

V

P

A

L

L

R

N

R

R

G

L

G

G

T

E

P

P

E

Q

D

D

V

I

A

A

N

N

I

A

A

V

T

S

F

F

L

L

A

A

S

S

D

D

M

K

S

A

S

G

Y

Y

V

I

S

T

G

G

Q

T

V

V

I

L

Q

H

V

V

D

N

G

G

M

L

N

Y

M

M

active site: G16 (= G17), S138 (= S143), Y151 (= Y156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ A15), R15 (= R16), T37 (≠ V39), L58 (≠ S63), D59 (≠ N64), V60 (≠ A65), N86 (= N91), A87 (= A92), G88 (= G93), I89 (= I94), I136 (≠ M141), Y151 (= Y156), K155 (= K160), P181 (= P186)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
42% identity, 98% coverage: 7:248/248 of query aligns to 6:243/244 of 6t62A

query
sites
6t62A

K

K

T

V

A

A

I

L

V

V

T

T

G
|
G

A

A

A
x
S

R
|
R

G
|
G

I

I

G

G

K

A

A

A

I

I

A

A

L

Q

K

Q

F

L

A

I

A

Q

E

D

G

G

A

Y

N

F

I

V

A

V

F

G

T

T

D

-

L
x
A

V
x
T

I

S

D

E

E

S

N

G

A

A

E

Q

K

K

T

L

R

T

V

-

E

-

L

-

E

D

A

S

M

F

G

G

V

E

K

Q

A

G

K

A

G

G

Y

L

A

A

S
x
L

N
x
D

A
x
V

A

R

N

N

F

L

E

D

D

E

T

I

A

E

K

A

V

V

E

S

E

H

I

I

H

E

K

Q

D

N

F

Y

G

G

R

P

I

V

D

L

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

K

D

D

G

N

L

L

M

L

R

R

M

M

S

S

E

E

Q

D

W

W

D

D

M

D

V

I

I

L

N

N

V

I

N

H

L

L

K

K

S

A

A

V

F

Y

N

R

F

L

I

S

H

K

A

R

C

V

T

L

P

K

V

G

M

M

M

T

R

K

Q

A

K

R

A

F

G

G

S

R

I

I

N

N

M
x
I

A
x
S

S
|
S

V

V

G

A

V

H

H

F

G

A

N

N

A

P

G

G

Q

Q

A

A

N

N

Y
|
Y

A

S

A

A

S

A

K
|
K

A

A

G

G

M

I

I

E

A

A

L

F

A

S

K

R

S

S

I

L

A

A

Q

K

E

E

L

M

G

G

S

S

R

R

G

Q

I

I

R

T

A

V

N

N

A

S

I

V

A

A

P
|
P

G
|
G

F

F

I
|
I

L

A

T

T

D

E

M
|
M

T

T

A

D

A

A

L

L

S

S

D

E

E

D

V

I

R

R

A

K

E

K

W

M

A

S

K

D

K

Q

I

V

P

A

L

L

R

N

R

R

G

L

G

G

T

E

P

P

E

Q

D

D

V

I

A

A

N

N

I

A

A

V

T

S

F

F

L

L

A

A

S

S

D

D

M

K

S

A

S

G

Y

Y

V

I

S

T

G

G

Q

T

V

V

I

L

Q

H

V

V

D

N

G

G

M

L

N

Y

M

M

active site: G16 (= G17), S138 (= S143), Y151 (= Y156)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ A15), R15 (= R16), A36 (≠ L38), T37 (≠ V39), L58 (≠ S63), D59 (≠ N64), V60 (≠ A65), N86 (= N91), A87 (= A92), G88 (= G93), I89 (= I94), I136 (≠ M141), S137 (≠ A142), S138 (= S143), Y151 (= Y156), K155 (= K160), P181 (= P186), G182 (= G187), I184 (= I189), M188 (= M193)

1edoA The x-ray structure of beta-keto acyl carrier protein reductase from brassica napus complexed with NADP+ (see paper)
45% identity, 96% coverage: 10:246/248 of query aligns to 5:242/244 of 1edoA

query
sites
1edoA

I

V

V

V

T

T

G
|
G

A

A

A
x
S

R
|
R

G
|
G

I
|
I

G

G

K

K

A

A

I

I

A

A

L

L

K

S

F

L

A

G

A

K

E

A

G

G

A

C

N

K

I

V

A

L

F

V

T
x
N

D
x
Y

L
x
A

V
x
R

I
x
S

D

A

E

K

N

A

A

A

E

E

K

E

T

V

R

S

V

K

E

Q

L

I

E

E

A

A

M

Y

G

G

V

G

K

Q

A

A

K

I

G

T

Y

F

A

G

S

G

N
x
D

A
x
V

A

S

N

K

F

E

E

A

D

D

T

V

A

E

K

A

V

M

E

K

E

T

I

A

H

I

K

D

D

A

F

W

G

G

R

T

I

I

D

D

I

V

L

V

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

G

T

L

L

M

L

M

I

R

R

M

M

S

K

E

K

Q

S

Q

Q

W

W

D

D

M

E

V

V

I

I

N

D

V

L

N

N

L

L

K

T

S

G

A

V

F

F

N

L

F

C

I

T

H

Q

A

A

C

A

T

T

P

K

V

I

M

M

R

K

Q

K

K

R

A

K

G

G

S

R

I

I

N

N

M

I

A

A

S
|
S

V

V

G

G

V

L

H

I

G

G

N

N

A

I

G

G

Q

Q

A

A

N

N

Y
|
Y

A

A

S

A

K
|
K

A

A

G

G

M

V

I

I

A

G

L

F

A

S

K

K

S

T

I

A

A

A

Q

R

E

E

L

G

G

A

S

S

R

R

G

N

I

I

R

N

A

V

N

N

A

V

I

V

A

C

P
|
P

G
|
G

F

F

I
|
I

L

A

T
x
S

D

D

M
|
M

T

T

A

A

A

K

L

L

S

G

D

E

E

D

V

M

R

E

A

K

E

K

W

I

A

L

K

G

K

T

I

I

P

P

L

L

R

G

R

R

G

T

G

G

T

Q

P

P

E

E

D

N

V

V

A

A

N

G

I

L

A

V

T

E

F

F

L

L

A

A

-

L

S

S

D

P

M

A

S

A

S

S

Y

Y

V

I

S

T

G

G

Q

Q

V

A

I

F

Q

T

V

I

D

D

G

G

M

I

active site: G12 (= G17), S138 (= S143), Y151 (= Y156), K155 (= K160)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G13), S10 (≠ A15), R11 (= R16), I13 (= I18), N31 (≠ T36), Y32 (≠ D37), A33 (≠ L38), R34 (≠ V39), S35 (≠ I40), D59 (≠ N64), V60 (≠ A65), N86 (= N91), A87 (= A92), S138 (= S143), Y151 (= Y156), K155 (= K160), P181 (= P186), G182 (= G187), I184 (= I189), S186 (≠ T191), M188 (= M193)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
46% identity, 99% coverage: 4:248/248 of query aligns to 10:253/254 of 4ag3A

query
sites
4ag3A

L

L

D

Q

G

G

K

K

T

V

A

A

I

L

V

V

T

T

G
|
G

A

A

A
x
S

R
|
R

G
|
G

I
|
I

G

G

K

Q

A

A

I

I

A

A

L

L

K

E

F

L

A

G

A

R

E

L

G

G

A

A

N

V

I

V

A

I

F

G

T

T

D

A

L

-

V
x
T

I

S

D

A

E

S

N

G

A

A

E

E

K

K

T

I

R

A

V

E

E

T

L

L

E

K

A

A

M

N

G

G

V

V

K

E

A

G

K

A

G

G

Y

L

A

V

S
x
L

N
x
D

A
x
V

A

S

N

S

F

D

E

E

D

S

T

V

A

A

K

A

V

T

V

L

E

E

E

H

I

I

H

Q

K

Q

D

H

F

L

G

G

R

Q

I

P

D

L

I

I

L

V

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

G

N

L

L

M

L

M

V

R

R

M

M

S

K

E

D

Q

D

Q

E

W

W

D

F

M

D

V

V

I

V

N

N

V

T

N

N

L

L

K

N

S

S

A

L

F

Y

N

R

F

L

I

S

H

K

A

A

C

V

T

L

P

R

V

G

M

M

M

T

R

K

Q

A

K

R

A

W

G

G

S

R

I

I

N

N

M
x
I

A

G

S
|
S

V

V

G

G

V

A

H

M

G

G

N

N

A

A

G

G

Q

Q

A

T

N

N

Y
|
Y

A

A

S

A

K
|
K

A

A

G

G

M

L

I

E

A

G

L

F

A

T

K

R

S

A

I

L

A

A

Q

R

E

E

L

V

G

G

S

S

R

R

G

A

I

I

R

T

A

V

N

N

A

A

I

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

L

D

T
|
T

D

D

M
|
M

T
|
T

A

R

A

E

L

L

S

P

D

E

E

A

V

Q

R

R

A

E

E

A

W

L

A

L

K

G

K

Q

I

I

P

P

L

L

R

G

R

R

G

L

G

G

T

Q

P

A

E

E

D

E

V

I

A

A

N

K

I

V

A

V

T

G

F

F

L

L

A

A

S

S

D

D

M

G

S

A

Y

Y

V

V

S

T

G

G

Q

A

V

T

I

V

Q

P

V

V

D

N

G

G

M

M

N

Y

M

M

active site: G23 (= G17), S148 (= S143), Y161 (= Y156), K165 (= K160)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G13), S21 (≠ A15), R22 (= R16), G23 (= G17), I24 (= I18), T44 (≠ V39), L68 (≠ S63), D69 (≠ N64), V70 (≠ A65), N96 (= N91), A97 (= A92), I146 (≠ M141), S148 (= S143), Y161 (= Y156), K165 (= K160), P191 (= P186), G192 (= G187), F193 (= F188), I194 (= I189), T196 (= T191), M198 (= M193), T199 (= T194)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
45% identity, 100% coverage: 1:248/248 of query aligns to 2:244/244 of 4nbuB

query
sites
4nbuB

M

M

G

S

L

R

L

L

D

Q

G

D

K

K

T

V

A

A

I

I

V

I

T

T

G
|
G

A

A

R
x
N

G
|
G

I
|
I

G

G

K

L

A

E

I

A

A

A

L

R

K

V

F

F

A

M

A

K

E

E

G

G

A

A

N

K

I

V

A

V

F

I

T

A

D
|
D

L
x
F

V

-

I

-

D

N

E

E

N

A

A

A

E

G

K

K

T

E

R

A

V

V

E

E

L

A

E

N

A

P

M

G

G

V

V

V

K

F

A

I

K

R

G

-

Y

-

A

-

S
x
V

N
x
D

A
x
V

A

S

N

D

F

R

E

E

D

S

T

V

A

H

K

R

V

L

V

V

E

E

E

N

I

V

H

A

K

E

D

R

F

F

G

G

R

K

I

I

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

T

R

R

D
|
D

G

S

L

M

M

L

M

S

R
x
K

M

M

S

T

E

V

Q

D

Q

Q

W

F

D

Q

M

Q

V

V

I

I

N

N

V

V

N
|
N

L

L

K

T

S

G

A

V

F

F

N

H

F

C

I

T

H

Q

A

A

C

V

T

L

P

P

V

Y

M

M

M

A

R

E

Q

Q

K

G

A

K

G

G

S

K

I

I

N

N

M
x
T

A

S

S
|
S

V

V

V

T

G

G

V

T

H

Y

G

G

N
|
N

A
x
V

G

G

Q
|
Q

A

T

N

N

Y
|
Y

A

A

S

A

K
|
K

A

A

G

G

M

V

I

I

A

G

L

M

A

T

K

K

S

T

I

W

A

A

Q

K

E

E

L

L

G

A

S

R

R

K

G

G

I

I

R

N

A

V

N

N

A

A

I

V

A

A

P
|
P

G

G

F
|
F

I
x
T

L

E

T
|
T

D

A

M
|
M

T

V

A

A

A

E

L

V

S

P

D

E

E

K

V

V

R

I

A

E

E
x
K

W

M

A

K

K

A

K

Q

I

V

P

P

L

M

R

G

R

R

G

L

G

G

T

K

P

P

E

E

D

D

V

I

A

A

N

N

I

A

A

Y

T

L

F

F

L

L

A

A

S

S

D

H

M

E

S

S

S

D

Y

Y

V

V

S

N

G

G

Q

H

V

V

I

L

Q

H

V

V

D

D

G

G

M

I

N

M

M

M

active site: G18 (= G17), N111 (= N115), S139 (= S143), Q149 (= Q153), Y152 (= Y156), K156 (= K160)
binding acetoacetyl-coenzyme a: D93 (= D97), K98 (≠ R102), S139 (= S143), N146 (= N150), V147 (≠ A151), Q149 (= Q153), Y152 (= Y156), F184 (= F188), M189 (= M193), K200 (≠ E204)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), N17 (≠ R16), G18 (= G17), I19 (= I18), D38 (= D37), F39 (≠ L38), V59 (≠ S63), D60 (≠ N64), V61 (≠ A65), N87 (= N91), A88 (= A92), G89 (= G93), I90 (= I94), T137 (≠ M141), S139 (= S143), Y152 (= Y156), K156 (= K160), P182 (= P186), F184 (= F188), T185 (≠ I189), T187 (= T191), M189 (= M193)

P73574 3-oxoacyl-[acyl-carrier-protein] reductase; 3-ketoacyl-acyl carrier protein reductase; EC 1.1.1.100 from Synechocystis sp. (strain PCC 6803 / Kazusa) (see paper)
46% identity, 100% coverage: 1:248/248 of query aligns to 1:246/247 of P73574

query
sites
P73574

M

M

G

T

L

A

L

L

D

T

G

A

K

Q

T

V

A

A

I

L

V

V

T

T

G

G

A
|
A

A

S

R

R

G

G

I

I

G

G

K

K

A

A

I

T

A

A

L

L

K

A

F

L

A

A

E

T

G

G

A

M

N

K

I

V

A

V

F

V

T

N

D

Y

L

A

V

Q

I

S

D

S

E

T

N

A

A

A

E

D

K

A

T

V

R

V

V

A

E

E

L

I

E

I

A

A

M

N

G

G

V

G

K

E

A

A

K

I

G

A

Y

V

A

Q

S

A

N

N

A

V

A

A

N

N

F

A

E

D

D

E

T

V

A

D

K

Q

V

L

V

I

E

K

E

T

I

T

H

L

K

D

D

K

F

F

G

S

R

R

I

I

D

D

I

V

L

L

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

G

T

L

L

M

L

R

R

M

M

S

K

E

L

Q

E

Q

D

W

W

D

Q

M

A

V

V

I

I

N

D

V

L

N

N

L

L

K

T

S

G

A

V

F

F

N

L

F

C

I

T

H

K

A

A

C

V

T

S

P

K

V

L

M

M

M

L

R

K

Q

Q

K

K

A

S

G

G

S

R

I

I

N

N

M

I

A

T

S

S

V

V

V

A

G

G

V

M

H

M

G

G

N

N

A
x
P

G

G

Q

Q

A

A

N

N

Y

Y

A

S

A

A

S

A

K
|
K

A

A

G

G

M

V

I

I

A

G

L

F

A

T

K

K

S

T

I

V

A

A

Q

K

E

E

L

L

G

A

S

S

R

R

G

G

I

V

R

T

A

V

N

N

A

A

I

V

A

A

P

P

G

G

F
|
F

I

I

L

A

T

T

D

D

M

M

T

T

A

E

A

N

L

L

S
x
N

D

A

E

E

V

P

R

I

A

L

E

Q

W

F

A

-

K

-

I

I

P

P

L

L

R

A

R

R

G

Y

G

G

T

Q

P

P

E

E

D

E

V

V

A

A

N

G

I

T

A

I

T

R

F

F

L

L

A

A

S

T

D

D

-

P

M

A

S

A

Y

Y

V

I

S

T

G

G

Q

Q

V

T

I

F

Q

N

V

V

D

D

G

G

M

M

N

V

M

M

A14 (= A14) mutation to G: 4.2-fold increase in activity on acetoacetyl-CoA.
P151 (≠ A151) mutation to F: 2.7-fold increase in activity on acetoacetyl-CoA.; mutation to V: 5.7-fold increase in activity on acetoacetyl-CoA.
K160 (= K160) mutation to A: Almost no activity on acetoacetyl-CoA.
F188 (= F188) mutation to Y: 3.3-fold increase in activity on acetoacetyl-CoA.
N198 (≠ S198) mutation to R: 3.5-fold increase in activity on acetoacetyl-CoA.

4bo4C Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with n-(2-methoxyphenyl)-3,4- dihydro-2h-quinoline-1-carboxamide at 2.7a resolution (see paper)
45% identity, 99% coverage: 4:248/248 of query aligns to 16:254/255 of 4bo4C

query
sites
4bo4C

L

L

D

Q

G

G

K

K

T

V

A

A

I

L

V

V

T

T

G

G

A

A

A

S

R

R

G
|
G

I

I

G

G

K

Q

A

A

I

I

A

A

L

L

K

E

F

L

A

G

A

R

E

L

G

G

A

A

N

-

I

V

A

V

F

I

T

G

D

T

L

A

V

T

I

S

D

A

E

S

N

G

A

A

E

E

K

K

T

I

R

A

V

E

E

T

L

L

E

K

A

A

M

N

G

G

V

V

K

E

A

G

K

A

G

G

Y

L

A

V

S

L

N

D

A

V

A

S

N

S

F

D

E

E

D

S

T

V

A

A

K

A

V

T

V

L

E

E

E

H

I

I

H

Q

K

Q

D

H

F

L

G

G

R

Q

I

P

D

L

I

I

L

V

V

V

N

N

A

A

G

G

I

I

T

T

R

R

D

D

G

N

L

L

M

L

M

V

R

R

M

M

S

K

E

D

Q

D

Q

E

W

W

D

F

M

D

V

V

I
x
V

N

N

V

T

N

N

L
|
L

K

N

S

S

A

L

F

Y

N

R

F

L

I

S

H

K

A

A

C

V

T

L

P

R

V

G

M

M

M

T

R

K

Q

A

K

R

A

W

G

G

S

R

I

I

N

N

M

I

A

G

S
|
S

V

V

G

G

V

-

H

-

G

G

N

N

A

A

G

G

Q

Q

A

T

N

N

Y
|
Y

A

A

S

A

K
|
K

A

A

G
|
G

M

L

I

E

A
x
G

L
x
F

A

T

K

R

S

A

I

L

A

A

Q

R

E

E

L

V

G

G

S

S

R

R

G

A

I

I

R

T

A

V

N

N

A

A

I

V

A

A

P

P

G

G

F

F

I

I

L

D

T

T

D

D

M

M

T

T

A

-

L

-

S

R

D

E

E

A

V

Q

R

R

A

E

E

A

W

L

A

L

K

G

K

Q

I

I

P

P

L

L

R

G

R

R

G

L

G

G

T

Q

P

A

E

E

D

E

V

I

A

A

N

K

I

V

A

V

T

G

F

F

L

L

A

A

S

S

D

D

M

G

S

A

Y

Y

V

V

S

T

G

G

Q

A

V

T

I

V

Q

P

V

V

D

N

G

G

M

M

N

Y

M

M

active site: G29 (= G17), S154 (= S143), Y165 (= Y156), K169 (= K160)
binding N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide: V123 (≠ I112), L127 (= L116), G171 (= G162), G174 (≠ A165), F175 (≠ L166)

4dmmB 3-oxoacyl-[acyl-carrier-protein] reductase from synechococcus elongatus pcc 7942 in complex with NADP
44% identity, 99% coverage: 4:248/248 of query aligns to 3:239/240 of 4dmmB

query
sites
4dmmB

L

L

D

T

G

D

K

R

T

I

A

A

I

L

V

V

T

T

G
|
G

A

A

A
x
S

R
|
R

G
|
G

I
|
I

G

G

K

R

A

A

I

I

A

A

L

L

K

E

F

L

A

A

E

A

G

G

A

A

N

K

I

V

A

A

F

V

T

N

D

Y

L
x
A

V
x
S

I
x
S

D

A

E

G

N

A

A

A

E

D

K

E

T

V

R

V

V

A

E

A

L

I

E

A

A

A

M

A

G

G

V

G

K

E

A

A

K

F

G

A

Y

V

A

K

S
x
A

N
x
D

A
x
V

A

S

N

Q

F

E

E

S

D

E

T

V

A

E

K

A

V

L

V

F

E

A

I

V

H

I

K

E

D

R

F

W

G

G

R

R

I

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G

G

I

I

T

T

R

R

D

D

G

T

L

L

M

L

R

R

M

M

S

K

E

R

Q

D

W

W

D

Q

M

S

V

V

I

L

N

D

V
x
L

N

N

L

L

K

G

S

G

A

V

F

F

N

L

F

C

I

S

H

R

A

A

C

A

T

A

P

K

V

I

M

M

M

L

R

K

Q

Q

K

R

A

S

G

G

S

R

I

I

N

N

M
x
I

A

A

S
|
S

V

V

G

G

V

E

H

M

G

G

N

N

A

P

G

G

Q
|
Q

A

A

N

N

Y
|
Y

A

S

A

A

S

A

K
|
K

A

A

G

G

M

V

I

I

A

G

L

L

A

T

K

K

S

T

I

V

A

A

Q

K

E

E

L

L

G

A

S

S

R

R

G

G

I

I

R

T

A

V

N

N

A

A

I

V

A

A

P
|
P

G
|
G

F

F

I
|
I

L

A

T
|
T

D

D

M
|
M

T

T

A

S

A

L

L

L

S

-

D

-

E

-

V

-

R

-

A

-

E

-

W

-

A

-

K

E

K

V

I

I

P

P

L

L

R

G

R

R

G

Y

G

G

T

E

P

A

E

A

D

E

V

V

A

A

N

G

I

V

A

V

T

R

F

F

L

L

A

A

S

A

D

D

-

P

M

A

S

A

Y

Y

V

I

S

T

G

G

Q

Q

V

V

I

I

Q

N

V

I

D

D

G

G

M

L

N

V

M

M

active site: G16 (= G17), S142 (= S143), Q152 (= Q153), Y155 (= Y156), K159 (= K160)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ A15), R15 (= R16), G16 (= G17), I17 (= I18), A37 (≠ L38), S38 (≠ V39), S39 (≠ I40), A62 (≠ S63), D63 (≠ N64), V64 (≠ A65), N90 (= N91), A91 (= A92), L113 (≠ V114), I140 (≠ M141), S142 (= S143), Y155 (= Y156), K159 (= K160), P185 (= P186), G186 (= G187), I188 (= I189), T190 (= T191), M192 (= M193)

Query Sequence

>353297 BT3771 3-oxoacyl-[acyl-carrier protein] reductase (NCBI ptt file)
MGLLDGKTAIVTGAARGIGKAIALKFAAEGANIAFTDLVIDENAEKTRVELEAMGVKAKG
YASNAANFEDTAKVVEEIHKDFGRIDILVNNAGITRDGLMMRMSEQQWDMVINVNLKSAF
NFIHACTPVMMRQKAGSIINMASVVGVHGNAGQANYAASKAGMIALAKSIAQELGSRGIR
ANAIAPGFILTDMTAALSDEVRAEWAKKIPLRRGGTPEDVANIATFLASDMSSYVSGQVI
QVDGGMNM

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