SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011382581.1 NCBI__GCF_000009985.1:WP_011382581.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
43% identity, 98% coverage: 3:235/238 of query aligns to 5:244/247 of 3op4A

query
sites
3op4A

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ T15), R18 (= R16), I20 (= I18), T40 (= T38), N62 (≠ T61), V63 (≠ T62), N89 (= N79), A90 (= A80), I92 (= I82), V139 (= V129), S141 (= S131), Y154 (= Y144), K158 (= K148), P184 (= P174), G185 (= G175), I187 (= I177), T189 (= T179), M191 (≠ L181)

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, 99% coverage: 3:238/238 of query aligns to 2:244/244 of P0A2C9

query
sites
P0A2C9

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M125 (= M118) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (= A217) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (≠ G218) 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)
43% identity, 99% coverage: 3:238/238 of query aligns to 2:244/244 of 6t77A

query
sites
6t77A

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active site: G16 (= G17), S138 (= S131), Y151 (= Y144)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ T15), R15 (= R16), T37 (= T38), L58 (≠ V53), N59 (≠ D54), V60 (≠ F55), A87 (= A80), G88 (= G81), I89 (= I82)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
42% identity, 98% coverage: 3:235/238 of query aligns to 5:240/243 of 4i08A

query
sites
4i08A

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active site: G19 (= G17), N113 (= N103), S141 (= S131), Q151 (≠ R141), Y154 (= Y144), K158 (= K148)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ T15), R18 (= R16), I20 (= I18), T40 (= T38), N62 (≠ T61), V63 (≠ T62), N89 (= N79), A90 (= A80), G140 (≠ S130), S141 (= S131), Y154 (= Y144), K158 (= K148), P184 (= P174), G185 (= G175), T189 (= T179)

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)
42% identity, 99% coverage: 3:238/238 of query aligns to 2:244/244 of P0AEK2

query
sites
P0AEK2

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L

T

A

V

N

N

C

V

V

V

A

A

P

P

G

G

F

F

I
|
I

D

E

T

T

E

D

L

M

T

T

R

R

Q

-

V

A

L

L

G

S

E

D

D

D

G

Q

I

R

K

A

E

G

L

I

T

L

A

A

Q

Q

V

V

P

P

A

A

R

G

R

R

L

L

G

G

R

G

P

A

E

Q

E

E

I

I

A

A

A

N

F

A

V

V

A

A

W

F

L

L

A

A

G

S

P

D

E

E

N

A

S

A

Y

Y

I

I

S

T

G

G

Q
x
E

N

T

L

L

V

H

I

V

D

N

G

G

F

M

T

Y

R

M

V

V

GASR 12:15 (≠ GGTR 13:16) binding
T37 (= T38) binding
NV 59:60 (≠ DF 54:55) binding
N86 (= N79) binding
Y151 (= Y144) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YSASK 144:148) binding
A154 (≠ S147) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K148) mutation to A: Defect in the affinity for NADPH.
I184 (= I177) binding
E233 (≠ Q227) 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)
42% identity, 99% coverage: 3:238/238 of query aligns to 1:243/243 of 1q7bA

query
sites
1q7bA

S

N

L

F

A

E

G

G

K

K

L

I

A

A

L

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G
|
G

I

I

G

G

A

R

A

A

I

I

A

A

A

E

R

T

L

L

L

A

A

A

D

R

G

G

A

A

K

K

V

V

M

I

V

G

T

T

G

A

T
|
T

R

S

P

E

G

N

G

G

E

A

-

Q

-

A

-

I

-

S

-

D

-

Y

-

L

G

G

P

A

A

N

G

G

S

K

G

G

Y

-

L

L

A

M

V

L

D
x
N

F
x
V

A

T

D

D

A

P

A

A

A

S

T

I

T

E

A

S

F

V

A

L

E

E

Q

K

A

I

-

R

A

A

G

E

L

F

G

G

-

E

V

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

N

T

K

R

V

D

S

N

P

L

F

L

A

M

E

R

I

M

D

K

P

D

A

E

D
x
E

F

W

A

N

R

D

I

I

Q

I

Q

E

V

T

N

N

V

L

T

S

A

S

P

V

F

F

L

R

L

L

A

S

R

K

A

A

V

V

V

M

P

R

G

A

M

M

Q

M

A

K

K

K

A

R

W

H

G

G

R

R

I

I

V

I

T

T

V

I

S

G

S
|
S

I

V

W

V

G

G

R

T

I

M

S

G

R

N

A

G

G

G

R
x
Q

G

A

A

N

Y
|
Y

S

A

A

A

S

A

K
|
K

F

A

A

G

V

L

D

I

G

G

L

F

T

S

A

K

A

S

L

L

A

A

A

R

E

E

V

V

A

A

Q

S

F

R

G

G

I

I

L

T

A

V

N

N

C

V

V

V

A

A

P
|
P

G
|
G

F

F

I
|
I

D

E

T

T

E

D

L

M

T

T

R

R

Q

-

V

A

L

L

G

S

E

D

D

D

G

Q

I

R

K

A

E

G

L

I

T

L

A

A

Q

Q

V

V

P

P

A

A

R

G

R

R

L

L

G

G

R

G

P

A

E

Q

E

E

I

I

A

A

A

N

F

A

V

V

A

A

W

F

L

L

A

A

G

S

P

D

E

E

N

A

S

A

Y

Y

I

I

S

T

G

G

Q
x
E

N
x
T

L

L

V

H

I

V

D

N

G

G

F

M

T

Y

R

M

V

V

active site: G15 (= G17), E101 (≠ D95), S137 (= S131), Q147 (≠ R141), Y150 (= Y144), K154 (= K148)
binding calcium ion: E232 (≠ Q227), T233 (≠ N228)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ T15), R14 (= R16), T36 (= T38), N58 (≠ D54), V59 (≠ F55), N85 (= N79), A86 (= A80), G87 (= G81), I88 (= I82), S137 (= S131), Y150 (= Y144), K154 (= K148), P180 (= P174), G181 (= G175), I183 (= I177)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
42% identity, 99% coverage: 3:238/238 of query aligns to 1:243/243 of 1q7cA

query
sites
1q7cA

S

N

L

F

A

E

G

G

K

K

L

I

A

A

L

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G
|
G

I

I

G

G

A

R

A

A

I

I

A

A

A

E

R

T

L

L

L

A

A

A

D

R

G

G

A

A

K

K

V

V

M

I

V

G

T

T

G
x
A

T
|
T

R

S

P

E

G

N

G

G

E

A

-

Q

-

A

-

I

-

S

-

D

-

Y

-

L

G

G

P

A

A

N

G

G

S

K

G

G

Y

-

L

L

A

M

V
x
L

D
x
N

F
x
V

A

T

D

D

A

P

A

A

A

S

T

I

T

E

A

S

F

V

A

L

E

E

Q

K

A

I

-

R

A

A

G

E

L

F

G

G

-

E

V

V

D

D

I

I

L

L

V

V

N

N

A

A

G
|
G

I
|
I

N

T

K

R

V

D

S

N

P

L

F

L

A

M

E

R

I

M

D

K

P

D

A

E

D

E

F

W

A

N

R

D

I

I

Q

I

Q

E

V

T

N

N

V

L

T

S

A

S

P

V

F

F

L

R

L

L

A

S

R

K

A

A

V

V

V

M

P

R

G

A

M

M

Q

M

A

K

K

K

A

R

W

H

G

G

R

R

I

I

V

I

T

T

V

I

S

G

S
|
S

I

V

W

V

G

G

R

T

I

M

S

G

R

N

A

G

G

G

R
x
Q

G

A

A

N

Y
x
F

S

A

A

A

S

A

K
|
K

F

A

A

G

V

L

D

I

G

G

L

F

T

S

A

K

A

S

L

L

A

A

A

R

E

E

V

V

A

A

Q

S

F

R

G

G

I

I

L

T

A

V

N

N

C

V

V

V

A

A

P

P

G

G

F

F

I

I

D

E

T

T

E

D

L

M

T

T

R

R

Q

-

V

A

L

L

G

S

E

D

D

D

G

Q

I

R

K

A

E

G

L

I

T

L

A

A

Q

Q

V

V

P

P

A

A

R

G

R

R

L

L

G

G

R

G

P

A

E

Q

E

E

I

I

A

A

A

N

F

A

V

V

A

A

W

F

L

L

A

A

G

S

P

D

E

E

N

A

S

A

Y

Y

I

I

S

T

G

G

Q

E

N

T

L

L

V

H

I

V

D

N

G

G

F

M

T

Y

R

M

V

V

active site: G15 (= G17), S137 (= S131), Q147 (≠ R141), F150 (≠ Y144), K154 (= K148)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ T15), R14 (= R16), A35 (≠ G37), T36 (= T38), L57 (≠ V53), N58 (≠ D54), V59 (≠ F55), G87 (= G81), I88 (= I82)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
40% identity, 99% coverage: 3:238/238 of query aligns to 1:243/243 of 7emgB

query
sites
7emgB

S

S

L

F

A

E

G

G

K

K

L

I

A

V

L

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G

G

I

I

G

G

A

R

A

A

I

I

A

A

A

E

R

T

L

F

L

V

A

A

D

R

G

G

A

A

K

K

V

V

M

I

V

G

T

T

G

A

T
|
T

R

S

P

E

G

S

G

G

E

-

G

A

P

E

A

A

G

I

S

S

G

G

Y

Y

L

L

A

G

-

A

-

N

-

G

-

K

-

G

-

F

-

M

V

L

D
x
N

F
x
V

A

K

D

D

A

A

A

Q

A

S

T

I

-

D

T

S

A

V

F

L

A

A

E

S

Q

I

A

R

A

A

G

E

L

F

G

G

-

E

V

I

D

D

I

I

L

L

V

V

N

N

A

A

G

G

I
|
I

N

T

K

R

V

D

S

N

P

L

F

L

A

M

E

R

I

M

D

K

P

D

A

D

D

E

F

W

A

E

R

D

I

I

Q

L

Q

D

V

T

N

N

V

L

T

T

A

S

P

V

F

F

L

R

L

L

A

S

R

K

A

A

V

V

V

M

P

C

G

A

M

M

Q

M

A

K

K

K

A

R

W

F

G

G

R

R

I

I

V

I

T

T

V

I

S

G

S

S

I

V

W

V

G

G

R

T

I

M

S

G

R

N

A

A

G

G

R

Q

G

A

A

N

Y

Y

S

A

A

A

S

A

K

K

F

A

A

G

V

L

D

I

G

G

L

F

T

S

A

K

A

S

L

L

A

A

A

R

E

E

V

V

A

A

Q

S

F

R

G

G

I

I

L

T

A

V

N

N

C

V

V

V

A

A

P

P

G

G

F

Y

I

I

D

E

T

T

E

D

L

M

T

T

R

R

Q

-

V

A

L

L

G

T

E

D

D

D

G

Q

I

R

K

A

E

G

L

I

T

L

A

S

Q

S

V

V

P

P

A

A

R

N

R

R

L

P

G

G

R

D

P

A

E

K

E

E

I

I

A

A

A

S

F

A

V

V

A

A

W

F

L

L

A

A

G

S

P

D

E

E

N

A

S

G

Y

Y

I

I

S

T

G

G

Q

E

N

T

L

L

V

H

I

V

D

N

G

G

F

M

T

Y

R

M

V

I

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ T15), R14 (= R16), T36 (= T38), N58 (≠ D54), V59 (≠ F55), I88 (= I82)

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)
37% identity, 97% coverage: 4:235/238 of query aligns to 1:243/246 of P14697

query
sites
P14697

L

M

A

T

G

Q

K

R

L

I

A

A

L

Y

V

V

T

T

G

G

T

M

R
x
G

G
|
G

I
|
I

G

G

A

T

A

A

I

I

A

C

A

Q

R

R

L

L

L

A

A

K

D

D

G

G

A

F

K

R

V

V

M

-

V

V

T

A

G

G

T

C

R
x
G

P

P

G

-

E

N

G

S

P

P

A
x
R

G

R

S

E

G

K

Y

W

L

L

A

E

-
x
Q

-

Q

-

K

-

A

-

L

-

G

V

F

D

D

F

F

-

I

-

A

-

S

-

E

-
x
G

-
x
N

-
x
V

A

A

D

D

A

W

A

D

A

S

T

T

-

K

T

T

A

A

F

F

A

D

E

K

Q

V

A

K

A

S

G

E

L

V

G

G

-

E

V

V

D

D

I

V

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I
|
I

N
x
T

K

R

V
x
D

S

V

P

V

F

F

A

R

E
x
K

I

M

D

T

P

R

A

A

D

D

F

W

A

D

R

A

I

V

Q

I

Q

D

V

T

N

N

V

L

T

T

A

S

P

L

F

F

L

N

L

V

A

T

R

K

A

Q

V

V

V

I

P

D

G

G

M

M

Q

A

A

D

K

R

A

G

W

W

G

G

R

R

I

I

V

V

T

N

V

I

S

S

I

V

W

N

G

G

R

Q

I

K

S

G

R
x
Q

A
x
F

G

G

R
x
Q

G

T

A

N

Y

Y

S

S

A

T

S

A

K

K

F

A

A

G

V

L

D

H

G

G

L

F

T

T

A

M

A

A

L

L

A

A

A

Q

E

E

V

V

A

A

Q
x
T

F

K

G

G

I

V

L

T

A

V

N

N

C

T

V

V

A

S

P
|
P

G
|
G

F
x
Y

I
|
I

D

A

T

T

E

D

L

M

T

V

R

K

Q

A

V

I

L
x
R

G

-

E

Q

D

D

G

V

I

L

K

D

E

K

L

I

T

V

A

A

Q

T

V

I

P

P

A

V

R

K

R

R

L

L

G

G

R

L

P

P

E

E

I

I

A

A

A

S

F

I

V

C

A

A

W

W

L

L

A

S

G

S

P

E

E

E

N

S

S

G

Y

F

I

S

S

T

G

G

Q

A

N

D

L

F

V

S

I

L

D

N

G

G

F

L

GGI 13:15 (≠ RGI 16:18) binding
G35 (≠ R39) binding
R40 (≠ A46) binding
Q47 (vs. gap) 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 (vs. gap) binding
NAGIT 88:92 (≠ NAGIN 79:83) binding
D94 (≠ V85) mutation to A: About 6% of wild-type activity.
K99 (≠ E90) mutation to A: Nearly loss of activity.
Q147 (≠ R138) mutation to A: About 30% of wild-type activity.
F148 (≠ A139) mutation to A: About 30% of wild-type activity.
Q150 (≠ R141) mutation to A: About 20% of wild-type activity.
T173 (≠ Q164) mutation to S: 3.5-fold increase in activity. 4-fold decrease in affinity for NADPH and 2.4-fold decrease in affinity for acetoacetyl-CoA.
PGYI 183:186 (≠ PGFI 174:177) binding
Y185 (≠ F176) mutation to A: Nearly loss of activity.
R195 (≠ L186) mutation to A: Nearly loss of activity.

3vzsB Crystal structure of phab from ralstonia eutropha in complex with acetoacetyl-coa and NADP (see paper)
37% identity, 96% coverage: 7:235/238 of query aligns to 7:246/249 of 3vzsB

query
sites
3vzsB

K

R

L

I

A

A

L

Y

V

V

T

T

G
|
G

G

G

T

M

R

G

G

G

I
|
I

G

G

A

T

A

A

I

I

A

C

A

Q

R

R

L

L

L

A

A

K

D

D

G

G

A

F

K

R

V

V

M

-

V

V

T

A

G

G

T

C

R
x
G

P

P

G

-

E

N

G

S

P

P

A
x
R

G

R

S

E

G

K

Y

W

L

L

-

E

-

Q

-

K

-

A

-

L

A

G

V

F

D

D

F

F

-

I

-

A

-

S

-

E

-
x
G

-
x
N

-
x
V

A

A

D

D

A

W

A

D

A

S

T

T

-

K

T

T

A

A

F

F

A

D

E

K

Q

V

A

K

A

S

G

E

L

V

G

G

-

E

V

V

D

D

I

V

L

L

V

I

N

N

A

A

G
|
G

I
|
I

N
x
T

K

R

V
x
D

S

V

P

V

F

F

A

R

E

K

I

M

D

T

P

R

A

A

D

D

F

W

A

D

R

A

I

V

Q

I

Q

D

V

T

N
|
N

V

L

T

T

A

S

P

L

F

F

L

N

L

V

A

T

R

K

A

Q

V

V

V

I

P

D

G

G

M

M

Q

A

A

D

K

R

A

G

W

W

G

G

R

R

I

I

V

V

T

N

V

I

S

S

S
|
S

I

V

W

N

G

G

R

Q

I

K

S

G

R
x
Q

A
x
F

G

G

R
x
Q

G

T

A

N

Y
|
Y

S

S

A

T

S

A

K
|
K

F

A

A

G

V

L

D

H

G

G

L

F

T

T

A

M

A

A

L

L

A

A

A

Q

E

E

V

V

A

A

Q

T

F

K

G

G

I

V

L

T

A

V

N

N

C

T

V

V

A

S

P
|
P

G
|
G

F
x
Y

I
|
I

D

A

T

T

E

D

L
x
M

T
x
V

R

K

Q

A

V

I

L
x
R

G

-

E

Q

D

D

G

V

I

L

K

D

E

K

L

I

T

V

A

A

Q

T

V

I

P

P

A

V

R

K

R

R

L

L

G

G

R

L

P

P

E

E

I

I

A

A

A

S

F

I

V

C

A

A

W

W

L

L

A

S

G

S

P

E

E

E

N

S

S

G

Y

F

I

S

S

T

G

G

Q

A

N

D

L

F

V

S

I

L

D

N

G

G

F

L

active site: N115 (= N103), S143 (= S131), Y156 (= Y144), K160 (= K148)
binding acetoacetyl-coenzyme a: D97 (≠ V85), Q150 (≠ R138), F151 (≠ A139), Q153 (≠ R141), Y156 (= Y144), G187 (= G175), Y188 (≠ F176), R198 (≠ L186)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), I18 (= I18), G38 (≠ R39), R43 (≠ A46), G63 (vs. gap), N64 (vs. gap), V65 (vs. gap), G93 (= G81), I94 (= I82), T95 (≠ N83), P186 (= P174), I189 (= I177), M193 (≠ L181), V194 (≠ T182)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
36% identity, 99% coverage: 1:235/238 of query aligns to 2:242/244 of 4nbuB

query
sites
4nbuB

M

M

T

S

S

R

L

L

A

Q

G

D

K

K

L

V

A

A

L

I

V

I

T

T

G
|
G

G

A

T

A

R
x
N

G
|
G

I
|
I

G

G

A

L

A

E

I

A

A

A

A

R

R

V

L

F

L

M

A

K

D

E

G

G

A

A

K

K

V

V

M

V

V

I

T

A

G
x
D

T
x
F

R

N

P

E

G

A

-

G

-

K

-

E

-

A

-

V

E

E

G

A

P

N

A

P

G

G

S

V

G

V

Y

F

L

I

A

R

V
|
V

D
|
D

F
x
V

A

S

D

D

A

R

A

E

A

S

T

V

T

H

A

R

F

L

A

V

E

E

Q

N

A

V

A

A

G

E

L

R

-

F

-

G

G

K

V

I

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I
|
I

N

T

K

R

V
x
D

S

S

P

M

F

L

A

S

E
x
K

I

M

D

T

P

V

A

D

D

Q

F

F

A

Q

R

Q

I

V

Q

I

Q

N

V

V

N
|
N

V

L

T

T

A

G

P

V

F

F

L

H

L

C

A

T

R

Q

A

A

V

V

V

L

P

P

G

Y

M

M

Q

A

A

E

K

Q

A

G

W

K

G

G

R

K

I

I

V

I

T

N

V
x
T

S

S

S
|
S

I

V

W

T

G

G

R

T

I

Y

S

G

R
x
N

A
x
V

G

G

R
x
Q

G

T

A

N

Y
|
Y

S

A

A

A

S

A

K
|
K

F

A

A

G

V

V

D

I

G

G

L

M

T

T

A

K

A

T

L

W

A

A

A

K

E

E

V

L

A

A

Q

R

F

K

G

G

I

I

L

N

A

V

N

N

C

A

V

V

A

A

P
|
P

G

G

F
|
F

I
x
T

D

E

T
|
T

E

A

L
x
M

T

V

R

A

Q

E

V

V

L

-

G

P

E

E

D

K

G

V

I

I

K

E

E
x
K

L

M

T

K

A

A

Q

Q

V

V

P

P

A

M

R

G

R

R

L

L

G

G

R

K

P

P

E

E

E

D

I

I

A

A

A

N

F

A

V

Y

A

L

W

F

L

L

A

A

G

S

P

H

E

E

N

S

S

D

Y

Y

I

V

S

N

G

G

Q

H

N

V

L

L

V

H

I

V

D

D

G

G

F

I

active site: G18 (= G17), N111 (= N103), S139 (= S131), Q149 (≠ R141), Y152 (= Y144), K156 (= K148)
binding acetoacetyl-coenzyme a: D93 (≠ V85), K98 (≠ E90), S139 (= S131), N146 (≠ R138), V147 (≠ A139), Q149 (≠ R141), Y152 (= Y144), F184 (= F176), M189 (≠ L181), K200 (≠ E193)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), N17 (≠ R16), G18 (= G17), I19 (= I18), D38 (≠ G37), F39 (≠ T38), V59 (= V53), D60 (= D54), V61 (≠ F55), N87 (= N79), A88 (= A80), G89 (= G81), I90 (= I82), T137 (≠ V129), S139 (= S131), Y152 (= Y144), K156 (= K148), P182 (= P174), F184 (= F176), T185 (≠ I177), T187 (= T179), M189 (≠ L181)

5vmlA Crystal structure of acetoacetyl-coa reductase from burkholderia pseudomallei 1710b with bound NADP
36% identity, 96% coverage: 7:235/238 of query aligns to 3:242/245 of 5vmlA

query
sites
5vmlA

K

R

L

I

A

A

L

Y

V

V

T

T

G
|
G

G

G

T

M

R
x
G

G
|
G

I
|
I

G

G

A

T

A

S

I

I

A

C

A

Q

R

R

L

L

L

H

A

K

D

D

G

G

A

F

K

R

V

V

M

-

V

V

T

A

G

G

T
x
C

R
x
G

P

P

G

N

G

S

-

P

-
x
R

-

R

-

V

E

K

G

W

P

L

A

E

G

D

S

Q

G

K

Y

A

L

L

A

G

V

F

D

D

F

F

-

Y

-

A

-

S

-

E

-
x
G

-
x
N

-
x
V

A

G

D

D

A

W

A

D

A

S

T

T

T

K

-

Q

A

A

F

F

A

D

E

K

Q

V

A

K

A

A

G

E

L

V

G

G

-

E

V

I

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G
|
G

I
|
I

N

T

K

R

V

D

S

V

P

V

F

F

A

R

E

K

I

M

D

T

P

R

A

E

D

D

F

W

A

Q

R

A

I

V

Q

I

Q

D

V

T

N
|
N

V

L

T

T

A

S

P

L

F

F

L

N

L

V

A

T

R

K

A

Q

V

V

V

I

P

D

G

G

M

M

Q

V

A

E

K

R

A

G

W

W

G

G

R

R

I

I

V

I

T

N

V

I

S

S

S
|
S

I

V

W

N

G

G

R

Q

I

K

S

G

R

Q

A

F

G

G

R

Q

G

T

A

N

Y
|
Y

S

S

A

T

S

A

K
|
K

F

A

A

G

V

I

D

H

G

G

L

F

T

T

A

M

A

S

L

L

A

A

A

Q

E

E

V

V

A

A

Q

T

F

K

G

G

I

V

L

T

A

V

N

N

C

T

V

V

A

S

P
|
P

G
|
G

F

Y

I
|
I

D

G

T

T

E

D

L

M

T

V

R

K

Q

A

V

I

L

R

G

-

E

P

D

D

G

V

I

L

K

E

E

K

L

I

T

V

A

A

Q

T

V

I

P

P

A

V

R

R

L

L

G

G

R

S

P

P

E

D

E

E

I

I

A

G

A

S

F

I

V

V

A

A

W

W

L

L

A

A

G

S

P

E

E

E

N

S

S

G

Y

F

I

S

S

T

G

G

Q

A

N

D

L

F

V

S

I

L

D

N

G

G

F

L

active site: G13 (= G17), N111 (= N103), S139 (= S131), Y152 (= Y144), K156 (= K148)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G9 (= G13), G12 (≠ R16), G13 (= G17), I14 (= I18), C33 (≠ T38), G34 (≠ R39), R39 (vs. gap), G59 (vs. gap), N60 (vs. gap), V61 (vs. gap), N87 (= N79), G89 (= G81), I90 (= I82), S139 (= S131), Y152 (= Y144), K156 (= K148), P182 (= P174), G183 (= G175), I185 (= I177)

3tzcA Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg)(y155f) from vibrio cholerae (see paper)
40% identity, 98% coverage: 3:235/238 of query aligns to 5:223/224 of 3tzcA

query
sites
3tzcA

S

N

L

L

A

E

G

G

K

K

L

V

A

A

L

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G

G

I

I

G

G

A

K

A

A

I

I

A

A

A

E

R

L

L

L

L

A

A

E

D

R

G

G

A

A

K

K

V

V

M

I

V

G

T

T

G
x
A

T
|
T

R

S

P

E

G

S

G

G

E

-

G

A

P

Q

A

A

G

I

S

S

G

D

Y

Y

L

L

A

G

V

D

D

N

F

G

A

K

D

G

A

M

A

A

A

L

T
x
N

T
x
V

A

T

F

N

A

P

E

E

Q

S

A

I

A

E

G

A

L

V

-

L

-

K

-

A

-

I

-

T

-

D

-

E

-

F

-

G

G

G

V

V

D

D

I

I

L

L

V

V

N

N

A

A

G
|
G

I
|
I

N

T

K

R

V

M

S

-

P

-

F

-

A

-

E

R

I

M

D

K

P

E

A

E

D

E

F

W

A

S

R

D

I

I

Q

M

Q

E

V
x
T

N

N

V

L

T

T

A

S

P

I

F

F

L

R

L

L

A

S

R

K

A

A

V

V

V

L

P

R

G

G

M

M

Q

M

A

K

K

K

A

R

W

Q

G

G

R

R

I

I

V

I

T

N

V

V

S

G

S

S

I

V

W

V

G

-

R

-

I

-

S

-

R

-

A

-

G

-

R

-

G

-

A

-

Y

-

S

-

A

A

S

A

K

K

F

A

A

G

V

V

D

I

G

G

L

F

T

T

A

K

A

S

L

M

A

A

A

R

E

E

V

V

A

A

Q

S

F

R

G

G

I

V

L

T

A

V

N

N

C

T

V

V

A

A

P

P

G

G

F

F

I

I

D

E

T

T

E

D

L

M

T

D

R

E

Q

Q

V

R

L

T

G

A

E

-

D

-

G

-

I

-

K

-

E

-

L

T

T

L

A

A

Q

Q

V

V

P

P

A

A

R

G

R

R

L

L

G

G

R

D

P

P

E

R

E

E

I

I

A

A

A

S

F

A

V

V

A

A

W

F

L

L

A

A

G

S

P

P

E

E

N

A

S

A

Y

Y

I

I

S

T

G

G

Q

E

N

T

L

L

V

H

I

V

D

N

G

G

F

M

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ T15), R18 (= R16), A39 (≠ G37), T40 (= T38), N62 (≠ T61), V63 (≠ T62), G91 (= G81), I92 (= I82), T108 (≠ V102)

6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
38% identity, 96% coverage: 7:235/238 of query aligns to 6:241/244 of 6wprA

query
sites
6wprA

K

K

L

V

A

A

L

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G
|
G

I

I

G

G

A

A

I

I

A

A

A

Q

R

Q

L

L

L

I

A

Q

D

D

G

G

A

Y

K

F

V

V

M

V

V

G

T

T

G

A

T
|
T

R

S

P

E

G

S

G

G

E

A

-

Q

-

K

-

L

-

T

-

D

-

S

-

F

G

G

P

E

A

Q

G

G

S

A

G

G

Y

-

L

L

A

A

V
x
L

D
|
D

-
x
V

-

R

-

N

F

L

A

D

D

E

A

I

A

E

A

A

T

V

A

S

F

H

A

I

E

E

Q

Q

A

N

A

Y

G

G

L

-

G

P

V

V

D

L

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

N

T

K

K

V

D

S

N

P

L

F

L

A

L

E

R

I

M

D

S

P

E

A

D

D

D

F

W

A

D

R

D

I

I

Q

L

Q

N

V

I

N

H

V

L

T

K

A

A

P

V

F

Y

L

R

L

L

A

S

R

K

A

R

V

V

V

L

P

K

G

G

M

M

Q

T

A

K

K

A

A

R

W

F

G

G

R

R

I

I

V

I

T

N

V
x
I

S

S

S
|
S

I

V

W

V

G

A

R

H

I

F

S

A

R

N

A

P

G

G

R

Q

G

A

A

N

Y
|
Y

S

S

A

A

S

A

K
|
K

F

A

A

G

V

I

D

E

G

A

L

F

T

S

A

R

A

S

L

L

A

A

A

K

E

E

V

M

A

G

Q

S

F

R

G

Q

I

I

L

T

A

V

N

N

C

S

V

V

A

A

P
|
P

G

G

F

F

I

I

D

A

T

T

E

E

L

M

T

T

R

-

Q

D

V

A

L

L

G

S

E

E

D

D

G

I

I

R

K

K

E

K

L

M

T

S

A

D

Q

Q

V

V

P

A

A

L

R

N

R

R

L

L

G

G

R

E

P

P

E

Q

E

D

I

I

A

A

A

N

F

A

V

V

A

S

W

F

L

L

A

A

G

S

P

D

E

K

N

A

S

G

Y

Y

I

I

S

T

G

G

Q

T

N

V

L

L

V

H

I

V

D

N

G

G

F

L

active site: G16 (= G17), S138 (= S131), Y151 (= Y144)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ T15), R15 (= R16), T37 (= T38), L58 (≠ V53), D59 (= D54), V60 (vs. gap), N86 (= N79), A87 (= A80), G88 (= G81), I89 (= I82), I136 (≠ V129), Y151 (= Y144), K155 (= K148), P181 (= P174)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
38% identity, 96% coverage: 7:235/238 of query aligns to 6:241/244 of 6t62A

query
sites
6t62A

K

K

L

V

A

A

L

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G
|
G

I

I

G

G

A

A

I

I

A

A

A

Q

R

Q

L

L

L

I

A

Q

D

D

G

G

A

Y

K

F

V

V

M

V

V

G

T

T

G
x
A

T
|
T

R

S

P

E

G

S

G

G

E

A

-

Q

-

K

-

L

-

T

-

D

-

S

-

F

G

G

P

E

A

Q

G

G

S

A

G

G

Y

-

L

L

A

A

V
x
L

D
|
D

-
x
V

-

R

-

N

F

L

A

D

D

E

A

I

A

E

A

A

T

V

A

S

F

H

A

I

E

E

Q

Q

A

N

A

Y

G

G

L

-

G

P

V

V

D

L

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I
|
I

N

T

K

K

V

D

S

N

P

L

F

L

A

L

E

R

I

M

D

S

P

E

A

D

D

D

F

W

A

D

R

D

I

I

Q

L

Q

N

V

I

N

H

V

L

T

K

A

A

P

V

F

Y

L

R

L

L

A

S

R

K

A

R

V

V

V

L

P

K

G

G

M

M

Q

T

A

K

K

A

A

R

W

F

G

G

R

R

I

I

V

I

T

N

V
x
I

S
|
S

I

V

W

V

G

A

R

H

I

F

S

A

R

N

A

P

G

G

R

Q

G

A

A

N

Y
|
Y

S

S

A

A

S

A

K
|
K

F

A

A

G

V

I

D

E

G

A

L

F

T

S

A

R

A

S

L

L

A

A

A

K

E

E

V

M

A

G

Q

S

F

R

G

Q

I

I

L

T

A

V

N

N

C

S

V

V

A

A

P
|
P

G
|
G

F

F

I
|
I

D

A

T

T

E

E

L
x
M

T

T

R

-

Q

D

V

A

L

L

G

S

E

E

D

D

G

I

I

R

K

K

E

K

L

M

T

S

A

D

Q

Q

V

V

P

A

A

L

R

N

R

R

L

L

G

G

R

E

P

P

E

Q

E

D

I

I

A

A

A

N

F

A

V

V

A

S

W

F

L

L

A

A

G

S

P

D

E

K

N

A

S

G

Y

Y

I

I

S

T

G

G

Q

T

N

V

L

L

V

H

I

V

D

N

G

G

F

L

active site: G16 (= G17), S138 (= S131), Y151 (= Y144)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ T15), R15 (= R16), A36 (≠ G37), T37 (= T38), L58 (≠ V53), D59 (= D54), V60 (vs. gap), N86 (= N79), A87 (= A80), G88 (= G81), I89 (= I82), I136 (≠ V129), S137 (= S130), S138 (= S131), Y151 (= Y144), K155 (= K148), P181 (= P174), G182 (= G175), I184 (= I177), M188 (≠ L181)

4k6fB X-ray crystal structure of a putative acetoacetyl-coa reductase from burkholderia cenocepacia bound to the co-factor NADP
35% identity, 96% coverage: 7:234/238 of query aligns to 2:241/245 of 4k6fB

query
sites
4k6fB

K

R

L

I

A

A

L

V

V

V

T

T

G
|
G

G

G

T

M

R

G

G
|
G

I

L

G

G

A

E

A

A

I

V

A

S

A

I

R

R

L

L

L

N

A

D

D

A

G

G

A

H

K

R

V

V

M

V

V

V

T

T

G
x
Y

T
x
S

R

-

P

P

G

N

G
x
N

E

T

G

G

P

A

-

D

-

R

-

W

-

L

-

T

-

E

-

M

-

H

-

A

A

A

G

G

S

R

G

E

Y

F

L

H

A

A

-

Y

-

P

V
|
V

D
|
D

F
x
V

A

A

D

D

A

H

A

D

A

S

T

C

T

Q

A

Q

F

C

A

I

E

E

Q

K

A

I

A

V

-

R

G

D

L

V

G

G

-

P

V

V

D

D

I

I

L

L

V

V

N

N

A
|
A

G
|
G

I
|
I

N

T

K

R

V

D

S

M

P

T

F

L

A

R

E

K

I

L

D

D

P

K

A

V

D
x
N

F

W

A

D

R

A

I

V

Q

I

Q

R

V

T

N

N

V

L

T

D

A

S

P

V

F

F

L

N

L

M

A

T

R

K

A

P

V

V

V

C

P

D

G

G

M

M

Q

V

A

E

K

R

A

G

W

W

G

G

R

R

I

I

V

V

T

N

V

I

S

S

S
|
S

I

V

W

N

G

G

R

S

I

K

S

G

R

S

A

V

G

G

R

Q

G

T

A

N

Y
|
Y

S

A

A

A

S

A

K
|
K

F

A

A

G

V

M

D

H

G

G

L

F

T

T

A

K

A

S

L

L

A

A

A

L

E

E

V

I

A

A

Q

R

F

K

G

G

I

V

L

T

A

V

N

N

C

T

V

V

A

S

P

P

G

G

F

Y

I

L

D

A

T

T

E

K

L

M

T

V

R

T

Q

A

V

I

L

P

G

Q

E

D

D

I

G

L

I

D

K

T

E

K

L

I

T

L

A

P

Q

Q

V

I

P

P

A

A

R

G

R

R

L

L

G

G

R

K

P

P

E

E

I

V

A

A

F

L

V

V

A

A

W

Y

L

L

A

C

G

S

P

E

E

E

N

A

S

G

Y

F

I

V

S

T

G

G

Q

S

N

N

L

I

V

A

I

I

D

N

G

G

active site: G12 (= G17), N102 (≠ D95), S138 (= S131), Y151 (= Y144), K155 (= K148)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G13), Y32 (≠ G37), S33 (≠ T38), N36 (≠ G42), V58 (= V53), D59 (= D54), V60 (≠ F55), A87 (= A80), G88 (= G81), I89 (= I82)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
39% identity, 98% coverage: 3:235/238 of query aligns to 9:251/254 of 4ag3A

query
sites
4ag3A

S

S

L

L

A

Q

G

G

K

K

L

V

A

A

L

L

V

V

T

T

G
|
G

G

A

T
x
S

R
|
R

G
|
G

I
|
I

G

G

A

Q

A

A

I

I

A

A

A

L

R

E

L

L

L

G

A

R

D

L

G

G

A

A

K

V

V

V

M

I

V

G

T

T

G

A

T
|
T

R

S

P

A

G

S

G

G

-

A

-

E

-

K

-

I

-

A

-

E

-

T

-

L

-

K

-

A

E

N

G

G

P

V

A

E

G

G

S

A

G

G

Y

-

L

L

A

V

V
x
L

D
|
D

F
x
V

A

S

D

S

-

D

-

E

-

S

A

V

A

A

T

T

T

L

A

E

F

H

A

I

E

Q

Q

Q

A

H

A

L

G

G

L

Q

G

P

V

L

D

-

I

I

L

V

V

V

N

N

N
|
N

A
|
A

G

G

I

I

N

T

K

R

V

D

S

N

P

L

F

L

A

V

E

R

I

M

D

K

P

D

A

D

D

E

F

W

A

F

R

D

I

V

Q

V

Q

N

V

T

N

N

V

L

T

N

A

S

P

L

F

Y

L

R

L

L

A

S

R

K

A

A

V

V

V

L

P

R

G

G

M

M

Q

T

A

K

K

A

A

R

W

W

G

G

R

R

I

I

V

I

T

N

V
x
I

S

G

S
|
S

I

V

W

V

G

G

R

A

I

M

S

G

R

N

A

A

G

G

R

Q

G

T

A

N

Y
|
Y

S

A

A

A

S

A

K
|
K

F

A

A

G

V

L

D

E

G

G

L

F

T

T

A

R

A

A

L

L

A

A

A

R

E

E

V

V

A

G

Q

S

F

R

G

A

I

I

L

T

A

V

N

N

C

A

V

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

D

D

T
|
T

E

D

L
x
M

T
|
T

R

R

Q

E

V

-

L

L

G

P

E

E

D

A

G

Q

I

R

K

E

E

A

L

L

T

L

A

G

Q

Q

V

I

P

P

A

L

R

G

R

R

L

L

G

G

R

Q

P

A

E

E

I

I

A

A

A

K

F

V

V

V

A

G

W

F

L

L

A

A

G

S

P

D

E

G

N

A

S

A

Y

Y

I

V

S

T

G

G

Q

A

N

T

L

V

V

P

I

V

D

N

G

G

F

M

active site: G23 (= G17), S148 (= S131), Y161 (= Y144), K165 (= K148)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G13), S21 (≠ T15), R22 (= R16), G23 (= G17), I24 (= I18), T44 (= T38), L68 (≠ V53), D69 (= D54), V70 (≠ F55), N96 (= N79), A97 (= A80), I146 (≠ V129), S148 (= S131), Y161 (= Y144), K165 (= K148), P191 (= P174), G192 (= G175), F193 (= F176), I194 (= I177), T196 (= T179), M198 (≠ L181), T199 (= T182)

P73826 Acetoacetyl-CoA reductase; EC 1.1.1.36 from Synechocystis sp. (strain PCC 6803 / Kazusa) (see paper)
41% identity, 97% coverage: 4:233/238 of query aligns to 6:236/240 of P73826

query
sites
P73826

L

L

A

E

G

D

K

K

L

V

A

I

L

V

V

V

T

T

G

G

T

N

R

R

G

G

I

I

G

G

A

A

I

I

A

V

A

K

R

L

L

L

L

Q

A

E

D

M

G

G

A

A

K

K

V

V

M

A

V

F

T

T

G

D

T

L

R

A

P

T

G

D

G

G

E

G

G

N

P

T

A

E

G

A

S

L

G

G

Y

V

L

V

A

A

V

N

D

V

F

T

A

D

D

L

A

E

A

S

A

M

T

T

T

A

A

A

F

A

A

A

E

E

Q

I

A

T

A

D

G

K

L

L

G

G

-

P

V

V

D

Y

I

G

L

V

V

V

N

A

N

N

A

A

G

G

I

I

N

T

K

K

V

D

S

N

P

F

F

F

A

P

E

K

I

L

D

T

P

P

A

A

D

D

F

W

A

D

R

A

I

V

Q

L

Q

N

V

V

N

N

V

L

T

K

A

G

P

V

F

A

L

Y

L

S

A

I

R

K

A

P

V

F

V

I

P

E

G

G

M

M

Q

Y

A

E

K

R

A

K

W

A

G

G

R

S

I

I

V

V

T

A

V

I

S

S

S
|
S

I

I

W

S

G

G

R

E

I

R

S

G

R

N

A

V

G

G

R

Q

G

T

A

N

Y
|
Y

S

S

A

A

S

T

K
|
K

F

A

A

G

V

V

D

I

G

G

L

M

T

M

A

K

A

S

L

L

A

A

A

R

E

E

V

G

A

A

Q

R

F

Y

G

G

I

V

L

R

A

A

N

N

C

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

E

E

L

M

T

T

R

L

Q

A

V

I

L

R

G

-

E

E

D

D

G

I

I

R

K

E

E

K

L

I

T

T

A

K

Q

E

V

I

P

P

A

F

R

R

L

F

G

G

R

K

P

P

E

E

I

I

A

A

A

W

F

A

V

V

A

A

W

F

L

L

A

L

G

S

P

P

-

V

E

A

N

S

S

S

Y

Y

I

V

S

T

G

G

Q

E

N

V

L

L

V

R

I

V

D

N

G

G

S134 (= S131) mutation to A: 12% enzymatic activity.
Y147 (= Y144) mutation to A: No enzymatic activity.
K151 (= K148) mutation to A: 5% enzymatic activity.

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
35% identity, 98% coverage: 4:236/238 of query aligns to 5:259/261 of 6zzsD

query
sites
6zzsD

L

L

A

D

G

G

K

K

L

V

A

A

L

F

V

I

T

T

G
|
G

G

S

T

A

R
x
S

G
|
G

I
|
I

G

G

A

L

A

E

I

I

A

A

A

K

R

K

L

F

L

A

A

Q

D

E

G

G

A

A

K

K

V

V

M

V

V

I

T

S

G
x
D

-
x
M

-

N

-

A

-

E

-

K

T

C

R

Q

P

E

G

T

G

A

E

N

G

S

P

L

A

K

G

E

S

Q

G

G

Y

F

L

D

A

A

V

L

-

S

-

A

-

P

-

C

D
|
D

F
x
V

A

T

D

D

A

E

A

D

A

A

T

Y

T

K

A

Q

F

A

A

I

E

E

-

L

-

T

Q

Q

A

K

A

T

G

F

L

G

G

T

V

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I

F

N
x
Q

K

H

V

V

S

A

P

P

F

I

A

E

E

E

I

F

D

P

P

T

A

A

D

V

F

F

A

Q

R

K

I

L

Q

V

Q

Q

V

V

N

M

V

L

T

T

A

G

P

A

F

F

L

I

L

G

A

I

R

K

A

H

V

V

V

L

P

P

G

I

M

M

Q

K

A

A

K

Q

A

K

W

Y

G

G

R

R

I

I

V

I

T

N

V
x
M

S
x
A

S
|
S

I

I

W
x
N

G

G

R

L

I

I

S

G

R

F

A

A

G

G

R
x
K

G

A

A

G

Y
|
Y

S

N

A

S

S

A

K
|
K

F

H

A

G

V

V

D

I

G

G

L

L

T

T

A

K

A

V

L

A

A

A

A

L

E

E

V

C

A

A

Q

R

F

D

G

G

I

I

L

T

A

V

N

N

C

A

V

L

A

C

P
|
P

G
|
G

F

Y

I
x
V

D

D

T
|
T

E

P

L
|
L

-

V

-

R

-

G

-
x
Q

-

I

-

A

-

D

-

L

-

A

-

K

T

T

R

R

Q

N

V

V

L

S

G

L

E

D

D

S

G

A

I

L

K

E

E

D

-

V

L

I

T

L

A

A

Q

M

V

V

P

P

A

Q

R

K

R

R

L

L

G

L

R

S

P

V

E

E

I

I

A

A

A

D

F

Y

V

A

A

I

W

F

L

L

A

A

G

S

P

S

E

K

N

A

S

G

Y

G

I

V

S

T

G

G

Q

Q

N

A

L

V

V

V

I

M

D

D

G

G

F

Y

T

T

active site: G18 (= G17), S143 (= S131), Y156 (= Y144)
binding nicotinamide-adenine-dinucleotide: G14 (= G13), S17 (≠ R16), I19 (= I18), D38 (≠ G37), M39 (vs. gap), D64 (= D54), V65 (≠ F55), N91 (= N79), A92 (= A80), G93 (= G81), M141 (≠ V129), A142 (≠ S130), S143 (= S131), Y156 (= Y144), K160 (= K148), P186 (= P174), G187 (= G175), V189 (≠ I177), T191 (= T179), L193 (= L181)
binding 3-oxidanylidenepentanoic acid: Q95 (≠ N83), S143 (= S131), N145 (≠ W133), K153 (≠ R141), Y156 (= Y144), Q197 (vs. gap)

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)
38% identity, 98% coverage: 3:235/238 of query aligns to 15:252/255 of 4bo4C

query
sites
4bo4C

S

S

L

L

A

Q

G

G

K

K

L

V

A

A

L

L

V

V

T

T

G

G

G

A

T

S

R

R

G
|
G

I

I

G

G

A

Q

A

A

I

I

A

A

A

L

R

E

L

L

L

G

A

R

D

L

G

G

A

A

K

V

V

V

M

I

V

G

T

T

G

A

T

T

R

S

P

A

G

S

G

G

-

A

-

E

-

K

-

I

-

A

-

E

-

T

-

L

-

K

-

A

E

N

G

G

P

V

A

E

G

G

S

A

G

G

Y

-

L

L

A

V

V

L

D

D

F

V

A

S

D

S

-

D

-

E

-

S

A

V

A

A

T

T

T

L

A

E

F

H

A

I

E

Q

Q

Q

A

H

A

L

G

G

L

Q

G

P

V

L

D

-

I

I

L

V

V

V

N

N

A

A

G

G

I

I

N

T

K

R

V

D

S

N

P

L

F

L

A

V

E

R

I

M

D

K

P

D

A

D

D

E

F

W

A

F

R

D

I

V

Q
x
V

Q

N

V

T

N

N

V
x
L

T

N

A

S

P

L

F

Y

L

R

L

L

A

S

R

K

A

A

V

V

V

L

P

R

G

G

M

M

Q

T

A

K

K

A

A

R

W

W

G

G

R

R

I

I

V

I

T

N

V

I

S

G

S
|
S

I

V

W

V

G

G

R

-

I

-

S

G

R

N

A

A

G

G

R

Q

G

T

A

N

Y
|
Y

S

A

A

A

S

A

K
|
K

F

A

A
x
G

V

L

D

E

G
|
G

L
x
F

T

T

A

R

A

A

L

L

A

A

A

R

E

E

V

V

A

G

Q

S

F

R

G

A

I

I

L

T

A

V

N

N

C

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

E

D

L

M

T

T

R

R

Q

E

V

A

L

Q

G

R

E

E

D

-

G

-

I

-

K

-

E

A

L

L

T

L

A

G

Q

Q

V

I

P

P

A

L

R

G

R

R

L

L

G

G

R

Q

P

A

E

E

I

I

A

A

A

K

F

V

V

V

A

G

W

F

L

L

A

A

G

S

P

D

E

G

N

A

S

A

Y

Y

I

V

S

T

G

G

Q

A

N

T

L

V

V

P

I

V

D

N

G

G

F

M

active site: G29 (= G17), S154 (= S131), Y165 (= Y144), K169 (= K148)
binding N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide: V123 (≠ Q100), L127 (≠ V104), G171 (≠ A150), G174 (= G153), F175 (≠ L154)

Query Sequence

>WP_011382581.1 NCBI__GCF_000009985.1:WP_011382581.1
MTSLAGKLALVTGGTRGIGAAIAARLLADGAKVMVTGTRPGGEGPAGSGYLAVDFADAAA
TTAFAEQAAGLGVDILVNNAGINKVSPFAEIDPADFARIQQVNVTAPFLLARAVVPGMQA
KAWGRIVTVSSIWGRISRAGRGAYSASKFAVDGLTAALAAEVAQFGILANCVAPGFIDTE
LTRQVLGEDGIKELTAQVPARRLGRPEEIAAFVAWLAGPENSYISGQNLVIDGGFTRV

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