SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013721723.1 NCBI__GCF_000204645.1:WP_013721723.1 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)

Q9KJF1 (2S)-[(R)-hydroxy(phenyl)methyl]succinyl-CoA dehydrogenase subunit BbsD; (S,R)-2-(alpha-hydroxybenzyl)succinyl-CoA dehydrogenase subunit BbsD; EC 1.1.1.429 from Thauera aromatica (see 2 papers)
47% identity, 98% coverage: 3:247/249 of query aligns to 1:243/248 of Q9KJF1

query
sites
Q9KJF1

L
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M1 (≠ L3) modified: Initiator methionine, Removed
S15 (≠ R17) binding NAD(+)
D36 (= D38) binding NAD(+)
D62 (= D64) binding NAD(+)
I63 (= I65) binding NAD(+)
N89 (= N91) binding NAD(+)
Y153 (= Y155) binding NAD(+)
K157 (= K159) binding NAD(+)

7pcsB Structure of the heterotetrameric sdr family member bbscd (see paper)
47% identity, 98% coverage: 4:247/249 of query aligns to 1:242/247 of 7pcsB

query
sites
7pcsB

G

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binding nicotinamide-adenine-dinucleotide: G11 (= G14), M16 (≠ L19), D35 (= D38), I36 (= I39), I62 (= I65), N88 (= N91), G90 (= G93), I138 (= I141), S140 (= S143), Y152 (= Y155), K156 (= K159), I185 (≠ M188)

6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
44% identity, 97% coverage: 8:248/249 of query aligns to 6:242/244 of 6wprA

query
sites
6wprA

K

K

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active site: G16 (= G18), S138 (= S143), Y151 (= Y155)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G14), S14 (≠ A16), R15 (= R17), T37 (≠ I39), L58 (≠ G63), D59 (= D64), V60 (≠ I65), N86 (= N91), A87 (= A92), G88 (= G93), I89 (≠ A94), I136 (= I141), Y151 (= Y155), K155 (= K159), P181 (= P185)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
44% identity, 97% coverage: 8:248/249 of query aligns to 6:242/244 of 6t62A

query
sites
6t62A

K

K

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Y

active site: G16 (= G18), S138 (= S143), Y151 (= Y155)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G14), S14 (≠ A16), R15 (= R17), A36 (≠ D38), T37 (≠ I39), L58 (≠ G63), D59 (= D64), V60 (≠ I65), N86 (= N91), A87 (= A92), G88 (= G93), I89 (≠ A94), I136 (= I141), S137 (= S142), S138 (= S143), Y151 (= Y155), K155 (= K159), P181 (= P185), G182 (= G186), I184 (≠ M188), M188 (= M192)

3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
45% identity, 99% coverage: 3:248/249 of query aligns to 4:245/247 of 3op4A

query
sites
3op4A

L

M

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T

N

A

A

T

I

L

A

A

A

Q

Q

V

P

P

V

A

K

G

R

R

V

L

G

G

Q

D

P

P

D

R

D

E

I

I

A

A

D

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

E

P

R

E

A

A

G

A

F

Y

I

I

S

T

G

G

E

E

V

T

L

L

H

H

V

V

T

N

G

G

R

M

Y

Y

binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G14), S17 (≠ A16), R18 (= R17), I20 (≠ L19), T40 (≠ I39), N62 (≠ D64), V63 (≠ I65), N89 (= N91), A90 (= A92), I92 (≠ A94), V139 (≠ I141), S141 (= S143), Y154 (= Y155), K158 (= K159), P184 (= P185), G185 (= G186), I187 (≠ M188), T189 (= T190), M191 (= M192)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
44% identity, 99% coverage: 3:248/249 of query aligns to 1:242/244 of 6t77A

query
sites
6t77A

L

M

G

S

L

F

T

E

G

G

K

K

V

I

A

A

I

L

V

V

T

T

G
|
G

S

A

A
x
S

R
|
R

G
|
G

L

I

G

G

A

R

A

A

T

I

A

A

R

E

R

T

L

L

A

V

Q

A

E

R

G

G

A

A

K

K

V

V

V

I

I

G

T

T

D

A

I
x
T

N

S

G

E

E

S

L

G

A

A

Q

Q

A

A

T

I

A

S

K

D

A

Y

L

L

Q

G

D

A

E

N

G

G

L

-

A

-

H

K

C

G

I

L

V

M

G
x
L

D
x
N

I
x
V

T

T

K

D

G

P

A

A

D

S

V

I

Q

E

R

S

L

V

V

L

D

E

E

N

T

V

V

R

A

A

H

E

F

F

G

G

G

E

V

V

Y

D

I

I

L

L

V

V

N

N

A
|
A

G
|
G

A
x
I

P

T

R

R

D

D

K

N

Y

L

L

L

V

M

K

R

M

M

S

K

E

D

D

D

D

E

W

W

D

N

F

D

V

I

M

I

A

E

V

T

M

N

L

L

K

S

G

S

A

V

F

F

L

R

A

L

A

S

K

K

A

A

V

V

M

M

P

R

H

A

F

M

I

M

D

K

Q

K

G

R

W

H

G

G

R

R

I

I

N

T

I

I

S

G

S
|
S

R

V

A

V

-

G

H

T

L

M

G

G

N

N

P

A

T

G

Q

Q

A

A

N

N

Y
|
Y

S

A

A

A

K

K

A

A

G

G

L

L

I

I

G

G

M

F

A

S

K

K

A

S

L

L

S

A

K

R

E

E

E

V

G

A

R

S

Y

R

G

G

V

I

T

T

C

V

N

N

C

V

V

V

A

A

P

P

G

G

F

F

M

I

E

E

T

T

E

D

M

M

V

T

K

R

A

A

L

L

P

T

T

D

Y

E

E

Q

T

-

I

-

K

R

D

A

N

G

A

T

I

L

A

A

Q

V

P

P

V

A

K

G

R

R

V

L

G

G

Q

T

P

P

D

N

D

E

I

I

A

A

D

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

E

D

R

E

A

A

G

S

F

Y

I

I

S

T

G

G

E

E

V

T

L

L

H

H

V

V

T

N

G

G

R

M

Y

Y

active site: G16 (= G18), S138 (= S143), Y151 (= Y155)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G14), S14 (≠ A16), R15 (= R17), T37 (≠ I39), L58 (≠ G63), N59 (≠ D64), V60 (≠ I65), A87 (= A92), G88 (= G93), I89 (≠ A94)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
45% identity, 97% coverage: 5:246/249 of query aligns to 5:241/244 of 4nbuB

query
sites
4nbuB

L

L

T

Q

G

D

K

K

V

V

A

A

I

I

V

I

T

T

G
|
G

S

A

A

A

R
x
N

G
|
G

L
x
I

G

G

A

L

A

E

T

A

A

A

R

R

R

V

L

F

A

M

Q

K

E

E

G

G

A

A

K

K

V

V

I

I

T

A

D
|
D

I
x
F

N

N

G

-

E

-

L

-

A

-

Q

E

A

A

T

A

A

G

K

K

A

E

L

A

Q

V

D

E

E

A

G

N

L

P

A

G

A

V

H

V

C

F

I

I

V

R

G
x
V

D
|
D

I
x
V

T

S

K

D

G

R

A

E

D

S

V

V

Q

H

R

R

L

L

V

V

D

E

E

N

T

V

V

A

A

E

H

R

F

F

G

G

G

K

V

I

Y

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

A
x
I

P

T

R

R

D
|
D

K

S

Y

M

L

L

V

S

K
|
K

M

M

S

T

E

V

D

D

D

Q

W

F

D

Q

F

Q

V

V

M

I

A

N

V

V

M
x
N

L

L

K

T

G

G

A

V

F

F

L

H

A

C

A

T

K

Q

A

A

V

V

M

L

P

P

H

Y

F

M

I

A

D

E

Q

Q

G

G

W

K

G

G

R

K

I

I

N

N

I
x
T

S

S

S
|
S

-

V

R

T

A

G

H

T

L

Y

G

G

N
|
N

P
x
V

T

G

Q
|
Q

A

T

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

L

V

I

I

G

G

M

M

A

T

K

K

A

T

L

W

S

A

K

K

E

E

E

L

G

A

R

R

Y

K

G

G

V

I

T

N

C

V

N

N

C

A

V

V

A

A

P
|
P

G

G

F
|
F

M
x
T

E

E

T
|
T

E

A

M
|
M

V

V

K

A

A

E

L

V

P

P

T

-

Y

-

E

E

T

K

I

V

K

I

D

E

N
x
K

A

M

I

K

A

A

A

Q

Q

V

P

P

V

M

K

G

R

R

V

L

G

G

Q

K

P

P

D

E

D

D

I

I

A

A

D

N

A

A

V

Y

A

L

F

F

L

L

A

A

S

S

E

H

R

E

A

S

G

D

F

Y

I

V

S

N

G

G

E

H

V

V

L

L

H

H

V

V

T

D

G

G

active site: G18 (= G18), N111 (≠ M115), S139 (= S143), Q149 (= Q152), Y152 (= Y155), K156 (= K159)
binding acetoacetyl-coenzyme a: D93 (= D97), K98 (= K102), S139 (= S143), N146 (= N149), V147 (≠ P150), Q149 (= Q152), Y152 (= Y155), F184 (= F187), M189 (= M192), K200 (≠ N205)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G14), N17 (≠ R17), G18 (= G18), I19 (≠ L19), D38 (= D38), F39 (≠ I39), V59 (≠ G63), D60 (= D64), V61 (≠ I65), N87 (= N91), A88 (= A92), G89 (= G93), I90 (≠ A94), T137 (≠ I141), S139 (= S143), Y152 (= Y155), K156 (= K159), P182 (= P185), F184 (= F187), T185 (≠ M188), T187 (= T190), M189 (= M192)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
43% identity, 99% coverage: 3:248/249 of query aligns to 4:241/243 of 4i08A

query
sites
4i08A

L

M

G

N

L

L

T

E

G

G

K

K

V

V

A

A

I

L

V

V

T

T

G
|
G

S

A

A
x
S

R
|
R

G
|
G

L
x
I

G

G

A

K

A

A

T

I

A

A

R

E

R

L

L

L

A

A

Q

E

E

R

G

G

A

A

K

K

V

V

V

I

I

G

T

T

D

A

I
x
T

N

S

G

E

E

S

L

G

A

A

Q

Q

A

A

T

I

A

S

K

D

A

Y

L

L

Q

G

D

D

E

N

G

G

L

-

A

-

H

K

C

G

I

M

V

A

G

L

D
x
N

I
x
V

T

T

K

N

G

P

A

E

D

S

V

I

Q

E

R

A

L

V

V

L

D

K

E

A

T

I

V

T

A

D

H

E

F

F

G

G

V

V

Y

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

A

I

P

T

R

R

D

D

K

N

Y

L

L

L

V

M

K

R

M

M

S

K

E

E

D

E

W

W

D

S

F

D

V

I

M

M

A

E

V

T

M
x
N

L

L

K

T

G

S

A

I

F

F

L

R

A

L

A

S

K

K

A

A

V

V

M

L

P

R

H

G

F

M

I

M

D

K

Q

K

G

R

W

Q

G

G

R

R

I

I

N

N

I

V

S
x
G

S
|
S

-

V

R

V

A

G

H

T

L

M

G

G

N

N

P

A

T

G

Q
|
Q

A

A

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

L

V

I

I

G

G

M

F

A

T

K

K

A

S

L

M

S

A

K

R

E

E

E

V

G

A

R

S

Y

R

G

G

V

V

T

T

C

V

N

N

C

T

V

V

A

A

P
|
P

G
|
G

F

F

M

I

E

E

T
|
T

E

D

M

M

V

-

K

-

A

-

L

-

P

-

T

-

Y

N

E

D

T

E

I

Q

K

R

D

T

N

A

A

T

I

L

A

A

A

Q

Q

V

P

P

V

A

K

G

R

R

V

L

G

G

Q

D

P

P

D

R

D

E

I

I

A

A

D

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

E

P

R

E

A

A

G

A

F

Y

I

I

S

T

G

G

E

E

V

T

L

L

H

H

V

V

T

N

G

G

R

M

Y

Y

active site: G19 (= G18), N113 (≠ M115), S141 (= S143), Q151 (= Q152), Y154 (= Y155), K158 (= K159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G14), S17 (≠ A16), R18 (= R17), I20 (≠ L19), T40 (≠ I39), N62 (≠ D64), V63 (≠ I65), N89 (= N91), A90 (= A92), G140 (≠ S142), S141 (= S143), Y154 (= Y155), K158 (= K159), P184 (= P185), G185 (= G186), T189 (= T190)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
40% identity, 97% coverage: 8:248/249 of query aligns to 5:245/246 of 3osuA

query
sites
3osuA

K

K

V

S

A

A

I

L

V

V

T

T

G

G

S

A

A

S

R

R

G
|
G

L

I

G

G

A

R

A

S

T

I

A

A

R

L

R

Q

L

L

A

A

Q

E

E

E

G

G

A

Y

K

N

V

V

V

A

I

V

T

N

D

Y

I

A

-

G

N

S

G

K

E

E

L

K

A

A

Q

E

A

A

T

V

A

V

K

E

A

E

L

I

Q

K

D

A

E

K

G

G

L

V

A

D

A

S

H

F

C

A

I

I

V

Q

G

A

D

N

I

V

T

A

K

D

G

A

A

D

D

E

V

V

Q

K

R

A

L

M

V

I

D

K

E

E

T

V

V

V

A

S

H

Q

F

F

G

G

G

S

V

L

Y

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

A

I

P

T

R

R

D

D

K

N

Y

L

L

L

V

M

K

R

M

M

S

K

E

E

D

Q

D

E

W

W

D

D

F

D

V

V

M

I

A

D

V

T

M

N

L

L

K

K

G

G

A

V

F

F

L

N

A

C

A

I

K

Q

A

K

V

A

M

T

P

P

H

Q

F

M

I

L

D

R

Q

Q

G

R

W

S

G

G

R

A

I

I

N

N

I

L

S

S

S
|
S

R

V

A

V

-

G

H

A

L

V

G

G

N

N

P

P

T

G

Q
|
Q

A

A

N

N

Y
|
Y

S

V

A

A

A

T

K
|
K

A

A

G

G

L

V

I

I

G

G

M

L

A

T

K

K

A

S

L

A

S

A

K

R

E

E

E

L

G

A

R

S

Y

R

G

G

V

I

T

T

C

V

N

N

C

A

V

V

A

A

P

P

G

G

F

F

M

I

E

V

T

S

E

D

M

M

V

T

K

D

A

A

L

L

P

S

T

-

Y

-

E

D

T

E

I

L

K

K

D

E

N

Q

A

M

I

L

A

T

A

Q

Q

I

P

P

V

L

K

A

R

R

V

F

G

G

Q

Q

P

D

D

T

D

D

I

I

A

A

D

N

A

T

V

V

A

A

F

F

L

L

A

A

S

S

E

D

R

K

A

A

G

K

F

Y

I

I

S

T

G

G

E

Q

V

T

L

I

H

H

V

V

T

N

G

G

R

M

Y

Y

active site: G15 (= G18), S141 (= S143), Q151 (= Q152), Y154 (= Y155), K158 (= K159)
binding magnesium ion: N89 (= N91), K158 (= K159)

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)
43% identity, 99% coverage: 3:248/249 of query aligns to 1:242/244 of P0AEK2

query
sites
P0AEK2

L

M

G

N

L

F

T

E

G

G

K

K

V

I

A

A

I

L

V

V

T

T

G
|
G

S
x
A

A
x
S

R
|
R

G

G

L

I

G

G

A

R

A

A

T

I

A

A

R

E

R

T

L

L

A

A

Q

A

E

R

G

G

A

A

K

K

V

V

V

I

I

G

T

T

D

A

I
x
T

N

S

G

E

E

N

L

G

A

A

Q

Q

A

A

T

I

A

S

K

D

A

Y

L

L

Q

G

D

A

E

N

G

G

L

-

A

-

H

K

C

G

I

L

V

M

G

L

D
x
N

I
x
V

T

T

K

D

G

P

A

A

D

S

V

I

Q

E

R

S

L

V

V

L

D

E

E

K

T

I

V

R

A

A

H

E

F

F

G

G

G

E

V

V

Y

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G

G

A

I

P

T

R

R

D

D

K

N

Y

L

L

L

V

M

K

R

M

M

S

K

E

D

D

E

W

W

D

N

F

D

V

I

M

I

A

E

V

T

M

N

L

L

K

S

G

S

A

V

F

F

L

R

A

L

A

S

K

K

A

A

V

V

M

M

P

R

H

A

F

M

I

M

D

K

Q

K

G

R

W

H

G

G

R

R

I

I

N

T

I

I

S

G

S

S

R

V

-

V

A

G

H

T

L

M

G

G

N

N

P

G

T

G

Q

Q

A

A

N

N

Y
|
Y

S
x
A

A
|
A

K
|
K

A

A

G

G

L

L

I

I

G

G

M

F

A

S

K

K

A

S

L

L

S

A

K

R

E

E

E

V

G

A

R

S

Y

R

G

G

V

I

T

T

C

V

N

N

C

V

V

V

A

A

P

P

G

G

F

F

M
x
I

E

E

T

T

E

D

M

M

V

T

K

R

A

A

L

L

P

S

T

D

Y

D

E

Q

T

-

I

-

K

R

D

A

N

G

A

I

I

L

A

A

A

Q

Q

V

P

P

V

A

K

G

R

R

V

L

G

G

Q

G

P

A

D

Q

D

E

I

I

A

A

D

N

A

A

V

V

A

A

F

F

L

L

A

A

S

S

E

D

R

E

A

A

G

A

F

Y

I

I

S

T

G

G

E
|
E

V

T

L

L

H

H

V

V

T

N

G

G

R

M

Y

Y

GASR 12:15 (≠ GSAR 14:17) binding NADP(+)
T37 (≠ I39) binding NADP(+)
NV 59:60 (≠ DI 64:65) binding NADP(+)
N86 (= N91) binding NADP(+)
Y151 (= Y155) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YSAAK 155:159) binding NADP(+)
A154 (= A158) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K159) mutation to A: Defect in the affinity for NADPH.
I184 (≠ M188) binding NADP(+)
E233 (= E239) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
43% identity, 98% coverage: 3:246/249 of query aligns to 4:244/247 of 7tzpG

query
sites
7tzpG

L

M

G

K

L

L

T

A

G

S

K

K

V

T

A

A

I

I

V

V

T

T

G
|
G

S

A

A

A

R
|
R

G
|
G

L
x
I

G

G

A

F

A

G

T

I

A

A

R

Q

R

V

L

L

A

A

Q

R

E

E

G

G

A

A

K

R

V

V

V

I

I

I

T

A

D
|
D

I
x
R

N

D

G

A

E

H

L

-

A

G

Q

E

A

A

T

A

A

A

K

A

A

S

L

L

Q

R

D

E

E

S

G

G

L

A

A

Q

A

A

H

L

C

F

I

I

V

S

G
x
C

D

N

I
|
I

T

A

K

E

G

K

A

T

D

Q

V

V

Q

E

R

A

L

L

V

F

D

S

E

Q

T

A

V

E

A

E

H

A

F

F

G

G

G

P

V

V

Y

D

I

I

L

L

V

V

N

N

N
|
N

A

A

G
|
G

A
x
I

P

N

R

R

D

D

K

A

Y

M

L

L

V

H

K

K

M

L

S

T

E

E

D

A

D

D

W

W

D

D

F

T

V

V

M

I

A

D

V
|
V

M

N

L

L

K

K

G

G

A

T

F

F

L

L

A

C

A

M

K

Q

A

Q

V

A

M

A

P

I

H

R

F

M

I

R

D

E

Q

R

G

G

W

A

G

G

R

R

I

I

N

N

I

I

S

A

S

S

R

A

A

S

H

W

L

L

G

G

N

N

P

V

T

G

Q

Q

A

T

N

N

Y
|
Y

S

S

A

A

A

S

K
|
K

A

A

G

G

L

V

I

V

G

G

M

M

A

T

K

K

A

T

L

A

S

C

K

R

E

E

E

L

G

A

R

K

Y

K

G

G

V

V

T

T

C

V

N

N

C

A

V

I

A

C

P

P

G

G

F

F

M
x
I

E

D

T
|
T

E

D

M

M

V
x
T

K

R

A

G

L

V

P

P

T

-

Y

-

E

E

T

N

I

V

K

W

D

Q

N

I

A

M

I

V

A

S

A

K

Q

I

P

P

V

A

K

G

R

Y

V

A

G

G

Q

E

P

A

D

K

D

D

I

V

A

G

D

E

A

C

V

V

A

A

F

F

L

L

A

A

S

S

E

D

R

G

A

A

G

R

F

Y

I

I

S

N

G

G

E

E

V

V

L

I

H

N

V

V

T

G

G

G

binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G14), R18 (= R17), G19 (= G18), I20 (≠ L19), D39 (= D38), R40 (≠ I39), C63 (≠ G63), I65 (= I65), N91 (= N91), G93 (= G93), I94 (≠ A94), V114 (= V114), Y155 (= Y155), K159 (= K159), I188 (≠ M188), T190 (= T190), T193 (≠ V193)

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
44% identity, 97% coverage: 7:248/249 of query aligns to 4:241/243 of 1q7bA

query
sites
1q7bA

G

G

K

K

V

I

A

A

I

L

V

V

T

T

G
|
G

S

A

A
x
S

R
|
R

G
|
G

L

I

G

G

A

R

A

A

T

I

A

A

R

E

R

T

L

L

A

A

Q

A

E

R

G

G

A

A

K

K

V

V

V

I

I

G

T

T

D

A

I
x
T

N

S

G

E

E

N

L

G

A

A

Q

Q

A

A

T

I

A

S

K

D

A

Y

L

L

Q

G

D

A

E

N

G

G

L

-

A

-

H

K

C

G

I

L

V

M

G

L

D
x
N

I
x
V

T

T

K

D

G

P

A

A

D

S

V

I

Q

E

R

S

L

V

V

L

D

E

E

K

T

I

V

R

A

A

H

E

F

F

G

G

G

E

V

V

Y

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

A
x
I

P

T

R

R

D

D

K

N

Y

L

L

L

V

M

K

R

M

M

S

K

E

D

D

E

D
x
E

W

W

D

N

F

D

V

I

M

I

A

E

V

T

M

N

L

L

K

S

G

S

A

V

F

F

L

R

A

L

A

S

K

K

A

A

V

V

M

M

P

R

H

A

F

M

I

M

D

K

Q

K

G

R

W

H

G

G

R

R

I

I

N

T

I

I

S

G

S
|
S

R

V

-

V

A

G

H

T

L

M

G

G

N

N

P

G

T

G

Q
|
Q

A

A

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

L

L

I

I

G

G

M

F

A

S

K

K

A

S

L

L

S

A

K

R

E

E

E

V

G

A

R

S

Y

R

G

G

V

I

T

T

C

V

N

N

C

V

V

V

A

A

P
|
P

G
|
G

F

F

M
x
I

E

E

T

T

E

D

M

M

V

T

K

R

A

A

L

L

P

S

T

D

Y

D

E

Q

T

-

I

-

K

R

D

A

N

G

A

I

I

L

A

A

A

Q

Q

V

P

P

V

A

K

G

R

R

V

L

G

G

Q

G

P

A

D

Q

D

E

I

I

A

A

D

N

A

A

V

V

A

A

F

F

L

L

A

A

S

S

E

D

R

E

A

A

G

A

F

Y

I

I

S

T

G

G

E
|
E

V
x
T

L

L

H

H

V

V

T

N

G

G

R

M

Y

Y

active site: G15 (= G18), E101 (≠ D107), S137 (= S143), Q147 (= Q152), Y150 (= Y155), K154 (= K159)
binding calcium ion: E232 (= E239), T233 (≠ V240)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G14), S13 (≠ A16), R14 (= R17), T36 (≠ I39), N58 (≠ D64), V59 (≠ I65), N85 (= N91), A86 (= A92), G87 (= G93), I88 (≠ A94), S137 (= S143), Y150 (= Y155), K154 (= K159), P180 (= P185), G181 (= G186), I183 (≠ M188)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
43% identity, 97% coverage: 7:248/249 of query aligns to 4:241/243 of 1q7cA

query
sites
1q7cA

G

G

K

K

V

I

A

A

I

L

V

V

T

T

G
|
G

S

A

A
x
S

R
|
R

G
|
G

L

I

G

G

A

R

A

A

T

I

A

A

R

E

R

T

L

L

A

A

Q

A

E

R

G

G

A

A

K

K

V

V

V

I

I

G

T

T

D
x
A

I
x
T

N

S

G

E

E

N

L

G

A

A

Q

Q

A

A

T

I

A

S

K

D

A

Y

L

L

Q

G

D

A

E

N

G

G

L

-

A

-

H

K

C

G

I

L

V

M

G
x
L

D
x
N

I
x
V

T

T

K

D

G

P

A

A

D

S

V

I

Q

E

R

S

L

V

V

L

D

E

E

K

T

I

V

R

A

A

H

E

F

F

G

G

G

E

V

V

Y

D

I

I

L

L

V

V

N

N

A

A

G
|
G

A
x
I

P

T

R

R

D

D

K

N

Y

L

L

L

V

M

K

R

M

M

S

K

E

D

D

E

W

W

D

N

F

D

V

I

M

I

A

E

V

T

M

N

L

L

K

S

G

S

A

V

F

F

L

R

A

L

A

S

K

K

A

A

V

V

M

M

P

R

H

A

F

M

I

M

D

K

Q

K

G

R

W

H

G

G

R

R

I

I

N

T

I

I

S

G

S
|
S

R

V

-

V

A

G

H

T

L

M

G

G

N

N

P

G

T

G

Q
|
Q

A

A

N

N

Y
x
F

S

A

A

A

K
|
K

A

A

G

G

L

L

I

I

G

G

M

F

A

S

K

K

A

S

L

L

S

A

K

R

E

E

E

V

G

A

R

S

Y

R

G

G

V

I

T

T

C

V

N

N

C

V

V

V

A

A

P

P

G

G

F

F

M

I

E

E

T

T

E

D

M

M

V

T

K

R

A

A

L

L

P

S

T

D

Y

D

E

Q

T

-

I

-

K

R

D

A

N

G

A

I

I

L

A

A

A

Q

Q

V

P

P

V

A

K

G

R

R

V

L

G

G

Q

G

P

A

D

Q

D

E

I

I

A

A

D

N

A

A

V

V

A

A

F

F

L

L

A

A

S

S

E

D

R

E

A

A

G

A

F

Y

I

I

S

T

G

G

E

E

V

T

L

L

H

H

V

V

T

N

G

G

R

M

Y

Y

active site: G15 (= G18), S137 (= S143), Q147 (= Q152), F150 (≠ Y155), K154 (= K159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G14), S13 (≠ A16), R14 (= R17), A35 (≠ D38), T36 (≠ I39), L57 (≠ G63), N58 (≠ D64), V59 (≠ I65), G87 (= G93), I88 (≠ A94)

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)
42% identity, 99% coverage: 3:248/249 of query aligns to 1:242/244 of P0A2C9

query
sites
P0A2C9

L

M

G

S

L

F

T

E

G

G

K

K

V

I

A

A

I

L

V

V

T

T

G

G

S

A

A

S

R

R

G

G

L

I

G

G

A

R

A

A

T

I

A

A

R

E

R

T

L

L

A

V

Q

A

E

R

G

G

A

A

K

K

V

V

V

I

I

G

T

T

D

-

I

-

N

-

G

-

E

A

L

T

A

S

Q

E

A

N

T

G

A

A

K

K

A

N

L

I

Q

S

D

D

E

Y

-

L

G

G

L

A

A

N

A

G

H

K

C

G

I

L

V

M

G

L

D

N

I

V

T

T

K

D

G

P

A

A

D

S

V

I

Q

E

R

S

L

V

V

L

D

E

E

N

T

I

V

R

A

A

H

E

F

F

G

G

G

E

V

V

Y

D

I

I

L

L

V

V

N

N

A

A

G

G

A

I

P

T

R

R

D

D

K

N

Y

L

L

L

V

M

K

R

M

M

S

K

E

D

D

D

D

E

W

W

D

N

F

D

V

I

M

I

A

E

V

T

M

N

L

L

K

S

G

S

A

V

F

F

L

R

A

L

A

S

K

K

A

A

V

V

M

M

P

R

H

A

F
x
M

I

M

D

K

Q

K

G

R

W

C

G

G

R

R

I

I

N

T

I

I

S

G

S

S

R

V

A

V

-

G

H

T

L

M

G

G

N

N

P

A

T

G

Q

Q

A

A

N

N

Y

Y

S

A

A

A

K

K

A

A

G

G

L

L

I

I

G

G

M

F

A

S

K

K

A

S

L

L

S

A

K

R

E

E

E

V

G

A

R

S

Y

R

G

G

V

I

T

T

C

V

N

N

C

V

V

V

A

A

P

P

G

G

F

F

M

I

E

E

T

T

E

D

M

M

V

T

K

R

A

A

L

L

P

S

T

D

Y

D

E

Q

T

-

I

-

K

R

D

A

N

G

A

I

I

L

A

A

A

Q

Q

V

P

P

V

A

K

G

R

R

V

L

G

G

Q

G

P

A

D

Q

D

E

I

I

A

A

D

S

A

A

V

V

A

A

F

F

L

L

A
|
A

S
|
S

E

D

R

E

A

A

G

S

F

Y

I

I

S

T

G

G

E

E

V

T

L

L

H

H

V

V

T

N

G

G

R

M

Y

Y

M125 (≠ F130) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (= A229) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (= S230) 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.

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
40% identity, 97% coverage: 8:248/249 of query aligns to 2:238/239 of 3sj7A

query
sites
3sj7A

K

K

V

S

A

A

I

L

V

V

T

T

G
|
G

S

A

A
x
S

R
|
R

G
|
G

L
x
I

G

G

A

R

A

S

T

I

A

A

R

L

R

Q

L

L

A

A

Q

E

E

E

G

G

A

Y

K

N

V

V

V

A

I

V

T
x
N

D
x
Y

I
x
A

-
x
G

N
x
S

G

K

E

E

L

K

A

A

Q

E

A

A

T

V

A

V

K

E

A

E

L

I

Q

K

D

A

E

K

G

G

L

V

A

D

A

S

H

F

C

A

I

I

V

Q

G
x
A

D
x
N

I
x
V

T

A

K

D

G

A

A

D

D

E

V

V

Q

K

R

A

L

M

V

I

D

K

E

E

T

V

V

V

A

S

H

Q

F

F

G

G

G

S

V

L

Y

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G

G

A

I

P

T

R

R

D

D

K

N

Y

L

L

L

V

M

K

R

M

M

S

K

E

E

D

Q

D

E

W

W

D

D

F

D

V

V

M

I

A

D

V
x
T

M

N

L

L

K

K

G

G

A

V

F

F

L

N

A

C

A

I

K

Q

A

K

V

A

M

T

P

P

H

Q

F

M

I

L

D

R

Q

Q

G

R

W

S

G

G

R

A

I

I

N

N

I

L

S

S

S
|
S

R

V

A

V

-

G

H

A

L

V

G

G

N

N

P

P

T

G

Q
|
Q

A

A

N

N

Y
|
Y

S

V

A

A

A

T

K
|
K

A

A

G

G

L

V

I

I

G

G

M

L

A

T

K

K

A

S

L

A

S

A

K

R

E

E

E

L

G

A

R

S

Y

R

G

G

V

I

T

T

C

V

N

N

C

A

V

V

A

A

P
|
P

G
|
G

F

F

M

I

E

V

T

S

E

D

M

M

V

T

K

D

A

E

L

L

P

-

T

-

Y

-

E

-

T

-

I

-

K

K

D

E

N

Q

A

M

I

L

A

T

A

Q

Q

I

P

P

V

L

K

A

R

R

V

F

G

G

Q

Q

P

D

D

T

D

D

I

I

A

A

D

N

A

T

V

V

A

A

F

F

L

L

A

A

S

S

E

D

R

K

A

A

G

K

F

Y

I

I

S

T

G

G

E

Q

V

T

L

I

H

H

V

V

T

N

G

G

R

M

Y

Y

active site: G12 (= G18), S138 (= S143), Q148 (= Q152), Y151 (= Y155), K155 (= K159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G14), S10 (≠ A16), R11 (= R17), I13 (≠ L19), N31 (≠ T37), Y32 (≠ D38), A33 (≠ I39), G34 (vs. gap), S35 (≠ N40), A58 (≠ G63), N59 (≠ D64), V60 (≠ I65), N86 (= N91), A87 (= A92), T109 (≠ V114), S138 (= S143), Y151 (= Y155), K155 (= K159), P181 (= P185), G182 (= G186)

4nbwA Crystal structure of fabg from plesiocystis pacifica (see paper)
46% identity, 96% coverage: 8:246/249 of query aligns to 2:248/253 of 4nbwA

query
sites
4nbwA

K

R

V

V

A

A

I

I

V

I

T

T

G
|
G

S

A

A

A

R
x
N

G
|
G

L
x
I

G

G

A

R

A

A

T

T

A

A

R

L

R

E

L

F

A

A

Q

Q

E

A

G

G

A

Y

K

H

V

V

I

A

T

W

D
|
D

I
x
L

N

A

G

E

E

E

L

A

A

G

Q

A

A

A

T

L

A

I

K

A

A

E

L

I

Q

A

D

D

E

A

G

G

L

G

A

S

A

A

H

D

C

F

I

A

V

R

G
x
V

D
|
D

I
x
V

T

S

K

A

G

A

A

E

D

S

V

V

Q

E

R

A

L

A

V

V

D

A

E

E

T

I

V

I

A

A

H

E

F

H

G

G

G

R

V

V

Y

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

A

I

P

L

R

H

D

D

K

G

Y

Q

L

L

V

V

-

K

-

V

-

K

-

G

-

E

-

V

-

K

K

K

M

M

S

A

E

E

D

A

D

Q

W

F

D

D

F

A

V

V

M

I

A

S

V

V

M

N

L

L

K

K

G

G

A

V

F

F

L

L

A

C

A

T

K

Q

A

A

V

V

M

A

P

P

H

H

F

M

I

I

D

A

Q

A

G

K

W

Y

G

G

R

R

I

I

I

L

N

N

I

A

S

S

S
|
S

R

V

A

V

H

G

L

L

-

Y

G

G

N

N

P

F

T

G

Q

Q

A

T

N

N

Y
|
Y

S

V

A

A

K
|
K

A

S

G

G

L

V

I

I

G

G

M

M

A

T

K

K

A

V

L

W

S

A

K

R

E

E

E

L

G

G

R

R

Y

Y

G

G

V

I

T

T

C

V

N

N

C

A

V

I

A

A

P

P

G

G

F

F

M
x
I

E

A

T
|
T

E

E

M

M

V

V

K

Q

A

Q

L

M

P

P

T

-

Y

-

E

E

T

R

I

V

K

L

D

E

N

A

A

M

I

V

A

A

A

R

Q

T

P

P

V

V

K

G

R

R

V

I

G

G

Q

D

P

P

D

V

D

D

I

I

A

A

D

R

A

A

V

Y

A

L

F

F

L

L

A

A

S

S

E

E

R

E

A

S

G

G

F

F

I

I

S

S

G

G

E

T

V

T

L

L

H

S

V

V

T

D

G

G

active site: G12 (= G18), S146 (= S143), Y159 (= Y155), K163 (= K159)
binding nicotinamide-adenine-dinucleotide: G8 (= G14), N11 (≠ R17), G12 (= G18), I13 (≠ L19), D32 (= D38), L33 (≠ I39), V57 (≠ G63), D58 (= D64), V59 (≠ I65), N85 (= N91), A86 (= A92), G87 (= G93), S146 (= S143), Y159 (= Y155), K163 (= K159), I192 (≠ M188), T194 (= T190)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
43% identity, 98% coverage: 3:246/249 of query aligns to 1:244/247 of 4jroC

query
sites
4jroC

L

M

G

T

L

L

T

Q

G

G

K

K

V

V

A

A

I

V

V

V

T

T

G
|
G

S

G

A
x
S

R
|
R

G
|
G

L
x
I

G

G

A

R

A

D

T

I

A

A

R

I

R

N

L

L

A

A

Q

K

E

E

G

G

A

A

K

N

V

I

V

F

I

F

T

-

D
x
N

I
x
Y

N
|
N

G
|
G

-
x
S

-

P

E

E

L

A

A

A

Q

E

A

E

T

T

A

A

K

K

A

L

L

V

Q

A

D

E

E

H

G

G

L

V

A

E

A

V

H

E

C

A

I

M

V

K

G

A

D
x
N

I
x
V

T

A

K

I

G

A

A

E

D

D

V

V

Q

D

R

A

L

F

V

F

D

K

E

Q

T

A

V

I

A

E

H

R

F

F

G

G

G

R

V

V

Y

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

A
x
I

P

T

R

R

D

D

K

N

Y

L

L

L

V

M

K

R

M

M

S

K

E

E

D

D

D

E

W

W

D

D

F

D

V

V

M

I

A

N

V
x
I

M

N

L

L

K

K

G

G

A

T

F

F

L

L

A

C

A

T

K

K

A

A

V

V

M

S

P

R

H

T

F

M

I

M

D

K

Q

Q

G

R

W

A

G

G

R

K

I

I

N

N

I

M

S

A

S
|
S

R

V

A

V

H

G

L

L

-

I

G

G

N

N

P

A

T

G

Q
|
Q

A

A

N

N

Y
|
Y

S

V

A

A

A

S

K
|
K

A

A

G

G

L

V

I

I

G

G

M

L

A

T

K

K

A

T

L

T

S

A

K

R

E

E

E

L

G

A

R

P

Y

R

G

G

V

I

T

N

C

V

N

N

C

A

V

V

A

A

P
|
P

G

G

F

F

M
x
I

E

T

T
|
T

E

D

M

M

V

T

K

D

A

K

L

L

P

D

T

-

Y

-

E

E

T

K

I

T

K

K

D

E

N

A

A

M

I

L

A

A

A

Q

Q

I

P

P

V

L

K

G

R

A

V

Y

G

G

Q

T

P

T

D

E

D

D

I

I

A

A

D

N

A

A

V

V

A

L

F

F

L

L

A

A

S

S

E

D

R

A

A

S

G

K

F

Y

I

I

S

T

G

G

E

Q

V

T

L

L

H

S

V

V

T

D

G

G

active site: G16 (= G18), S142 (= S143), Q152 (= Q152), Y155 (= Y155), K159 (= K159)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G14), S14 (≠ A16), R15 (= R17), G16 (= G18), I17 (≠ L19), N35 (≠ D38), Y36 (≠ I39), N37 (= N40), G38 (= G41), S39 (vs. gap), N63 (≠ D64), V64 (≠ I65), N90 (= N91), A91 (= A92), I93 (≠ A94), I113 (≠ V114), S142 (= S143), Y155 (= Y155), K159 (= K159), P185 (= P185), I188 (≠ M188), T190 (= T190)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
42% identity, 97% coverage: 7:248/249 of query aligns to 4:241/243 of 7emgB

query
sites
7emgB

G

G

K

K

V

I

A

V

I

L

V

V

T

T

G
|
G

S

A

A
x
S

R
|
R

G

G

L

I

G

G

A

R

A

A

T

I

A

A

R

E

R

T

L

F

A

V

Q

A

E

R

G

G

A

A

K

K

V

V

V

I

I

G

T

T

D

A

I
x
T

N

S

G

E

E

S

L

G

A

A

Q

E

A

A

T

I

A

S

K

G

A

Y

L

L

Q

G

D

A

E

N

G

G

L

K

A

G

A

F

H

M

C

L

I
x
N

V
|
V

G

K

D

D

I

-

T

-

K

-

G

A

A

Q

D

S

V

I

Q

D

R

S

L

V

V

L

D

A

E

S

T

I

V

R

A

A

H

E

F

F

G

G

G

E

V

I

Y

D

I

I

L

L

V

V

N

N

A

A

G

G

A
x
I

P

T

R

R

D

D

K

N

Y

L

L

L

V

M

K

R

M

M

S

K

E

D

D

D

D

E

W

W

D

E

F

D

V

I

M

L

A

D

V

T

M

N

L

L

K

T

G

S

A

V

F

F

L

R

A

L

A

S

K

K

A

A

V

V

M

M

P

C

H

A

F

M

I

M

D

K

Q

K

G

R

W

F

G

G

R

R

I

I

N

T

I

I

S

G

S

S

R

V

A

V

-

G

H

T

L

M

G

G

N

N

P

A

T

G

Q

Q

A

A

N

N

Y

Y

S

A

A

A

K

K

A

A

G

G

L

L

I

I

G

G

M

F

A

S

K

K

A

S

L

L

S

A

K

R

E

E

E

V

G

A

R

S

Y

R

G

G

V

I

T

T

C

V

N

N

C

V

V

V

A

A

P

P

G

G

F

Y

M

I

E

E

T

T

E

D

M

M

V

T

K

R

A

A

L

L

P

T

T

D

Y

D

E

Q

T

-

I

-

K

R

D

A

N

G

A

I

I

L

A

S

Q

V

P

P

V

A

K

N

R

R

V

P

G

G

Q

D

P

A

D

K

D

E

I

I

A

A

D

S

A

A

V

V

A

A

F

F

L

L

A

A

S

S

E

D

R

E

A

A

G

G

F

Y

I

I

S

T

G

G

E

E

V

T

L

L

H

H

V

V

T

N

G

G

R

M

Y

Y

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G14), S13 (≠ A16), R14 (= R17), T36 (≠ I39), N58 (≠ I61), V59 (= V62), I88 (≠ A94)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
40% identity, 99% coverage: 2:248/249 of query aligns to 7:252/254 of 4ag3A

query
sites
4ag3A

D

S

L

M

G

S

L

L

T

Q

G

G

K

K

V

V

A

A

I

L

V

V

T

T

G
|
G

S

A

A
x
S

R
|
R

G
|
G

L
x
I

G

G

A

Q

A

A

T

I

A

A

R

L

R

E

L

L

A

G

Q

R

E

L

G

G

A

A

K

V

V

V

V

I

I

G

T

T

D

A

I
x
T

N

S

G

A

E

S

L

G

A

A

Q

E

A

K

T

I

A

A

K

E

A

T

L

L

Q

K

D

A

E

N

G

G

L

V

A

E

A

G

H

A

C

G

I

L

V

V

G
x
L

D
|
D

I
x
V

T

S

K

S

G

D

A

E

D

S

V

V

Q

A

R

A

L

T

V

L

D

E

E

H

T

I

V

Q

A

Q

H

H

F

L

G

G

G

Q

V

P

Y

L

I

I

L

V

V

V

N

N

N
|
N

A
|
A

G

G

A

I

P

T

R

R

D

D

K

N

Y

L

L

L

V

V

K

R

M

M

S

K

E

D

D

D

D

E

W

W

D

F

F

D

V

V

M

V

A

N

V

T

M

N

L

L

K

N

G

S

A

L

F

Y

L

R

A

L

A

S

K

K

A

A

V

V

M

L

P

R

H

G

F

M

I

T

D

K

Q

A

G

R

W

W

G

G

R

R

I

I

N

N

I
|
I

S

G

S
|
S

-

V

R

V

A

G

H

A

L

M

G

G

N

N

P

A

T

G

Q

Q

A

T

N

N

Y
|
Y

S

A

A

A

K
|
K

A

A

G

G

L

L

I

E

G

G

M

F

A

T

K

R

A

A

L

L

S

A

K

R

E

E

E

V

G

G

R

S

Y

R

G

A

V

I

T

T

C

V

N

N

C

A

V

V

A

A

P
|
P

G
|
G

F
|
F

M
x
I

E

D

T
|
T

E

D

M
|
M

V
x
T

K

R

A

E

L

L

P

P

T

-

Y

-

E

E

T

A

I

Q

K

R

D

E

N

A

A

L

I

L

A

G

A

Q

Q

I

P

P

V

L

K

G

R

R

V

L

G

G

Q

Q

P

A

D

E

I

I

A

A

D

K

A

V

V

V

A

G

F

F

L

L

A

A

S

S

E

D

R

G

A

A

G

A

F

Y

I

V

S

T

G

G

E

A

V

T

L

V

H

P

V

V

T

N

G

G

R

M

Y

Y

active site: G23 (= G18), S148 (= S143), Y161 (= Y155), K165 (= K159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G14), S21 (≠ A16), R22 (= R17), G23 (= G18), I24 (≠ L19), T44 (≠ I39), L68 (≠ G63), D69 (= D64), V70 (≠ I65), N96 (= N91), A97 (= A92), I146 (= I141), S148 (= S143), Y161 (= Y155), K165 (= K159), P191 (= P185), G192 (= G186), F193 (= F187), I194 (≠ M188), T196 (= T190), M198 (= M192), T199 (≠ V193)

4cqlI Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD (see paper)
40% identity, 98% coverage: 5:248/249 of query aligns to 6:250/251 of 4cqlI

query
sites
4cqlI

L

L

T

R

G

S

K

A

V

L

A

A

I

L

V

V

T

T

G

G

S

A

A

G

R
x
S

G
|
G

L
x
I

G

G

A

R

A

A

T

V

A

S

R

V

R

R

L

L

A

A

Q

G

E

E

G

G

A

A

K

T

V

V

V

A

I

A

T

C

D
|
D

I
x
L

N

D

G

R

E

A

L

A

A

A

Q

Q

A

E

T

T

A

V

K

R

A

L

L

L

Q

G

D

G

E

P

G

G

L

S

A

N

A

H

H

A

C

A

I

F

V

Q

G
x
A

D
|
D

I
x
V

T

S

K

E

G

A

A

R

D

A

V

A

Q

R

R

C

L

L

V

L

D

E

E

Q

T

V

V

Q

A

A

H

C

F

F

G

S

-

R

G

P

V

P

Y

S

I

V

L

V

V

V

N

S

N
x
C

A
|
A

G
|
G

A
x
I

P

T

R

Q

D

D

K

E

Y

F

L

L

V

L

K

H

M

M

S

S

E

E

D

D

W

W

D

D

F

K

V

V

M

I

A

A

V
|
V

M

N

L

L

K

K

G

G

A

T

F

F

L

L

A

V

A

T

K

Q

A

A

V

A

M

A

P

Q

H

A

F

L

I

V

D

S

Q

N

G

G

W

C

-

R

G

G

R

S

I

I

N

N

I
|
I

S

S

S
|
S

-

I

R

V

A

G

H

K

L

V

G

G

N

N

P

V

T

G

Q

Q

A

T

N

N

Y
|
Y

S

A

A

A

A

S

K
|
K

A

A

G

G

L

V

I

I

G

G

M

L

A

T

K

Q

A

T

L

A

S

A

K

R

E

E

E

L

G

G

R

R

Y

H

G

G

V

I

T

R

C

C

N

N

C

S

V

V

A

L

P
|
P

G
|
G

F

F

M
x
I

E

A

T
|
T

E

P

M
|
M

V

T

K

Q

A

K

L

V

P

P

T

-

Y

-

E

Q

T

K

I

V

K

V

D

D

N

K

A

I

I

T

A

E

A

M

Q

I

P

P

V

M

K

G

R

H

V

L

G

G

Q

D

P

P

D

E

D

D

I

V

A

A

D

D

A

V

V

V

A

A

F

F

L

L

A

A

S

S

E

E

R

D

A

S

G

G

F

Y

I

I

S

T

G

G

E

T

V

S

L

V

H

E

V

V

T

T

G

G

R

L

Y

F

active site: G19 (= G18), S146 (= S143), Y159 (= Y155), K163 (= K159)
binding nicotinamide-adenine-dinucleotide: S18 (≠ R17), G19 (= G18), I20 (≠ L19), D39 (= D38), L40 (≠ I39), A64 (≠ G63), D65 (= D64), V66 (≠ I65), C93 (≠ N91), A94 (= A92), G95 (= G93), I96 (≠ A94), V116 (= V114), I144 (= I141), S146 (= S143), Y159 (= Y155), K163 (= K159), P189 (= P185), G190 (= G186), I192 (≠ M188), T194 (= T190), M196 (= M192)

Query Sequence

>WP_013721723.1 NCBI__GCF_000204645.1:WP_013721723.1
MDLGLTGKVAIVTGSARGLGAATARRLAQEGAKVVITDINGELAQATAKALQDEGLAAHC
IVGDITKGADVQRLVDETVAHFGGVYILVNNAGAPRDKYLVKMSEDDWDFVMAVMLKGAF
LAAKAVMPHFIDQGWGRIINISSRAHLGNPTQANYSAAKAGLIGMAKALSKEEGRYGVTC
NCVAPGFMETEMVKALPTYETIKDNAIAAQPVKRVGQPDDIADAVAFLASERAGFISGEV
LHVTGGRYG

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