SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_010961246.1 NCBI__GCF_000008325.1:WP_010961246.1 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)
66% identity, 98% coverage: 4:244/245 of query aligns to 9:246/247 of 3op4A

query
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3op4A

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G10), S17 (= S12), R18 (= R13), I20 (= I15), T40 (= T35), N62 (≠ D60), V63 (= V61), N89 (= N87), A90 (= A88), I92 (= I90), V139 (≠ I137), S141 (= S139), Y154 (= Y152), K158 (= K156), P184 (= P182), G185 (= G183), I187 (= I185), T189 (= T187), M191 (= M189)

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)
67% identity, 98% coverage: 4:244/245 of query aligns to 6:243/244 of P0AEK2

query
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P0AEK2

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GASR 12:15 (= GASR 10:13) binding NADP(+)
T37 (= T35) binding NADP(+)
NV 59:60 (≠ DV 60:61) binding NADP(+)
N86 (= N87) binding NADP(+)
Y151 (= Y152) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (= YAAAK 152:156) binding NADP(+)
A154 (= A155) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K156) mutation to A: Defect in the affinity for NADPH.
I184 (= I185) binding NADP(+)
E233 (= E234) 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)
67% identity, 98% coverage: 4:244/245 of query aligns to 5:242/243 of 1q7bA

query
sites
1q7bA

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active site: G15 (= G14), E101 (≠ D103), S137 (= S139), Q147 (= Q149), Y150 (= Y152), K154 (= K156)
binding calcium ion: E232 (= E234), T233 (= T235)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G10), S13 (= S12), R14 (= R13), T36 (= T35), N58 (≠ D60), V59 (= V61), N85 (= N87), A86 (= A88), G87 (= G89), I88 (= I90), S137 (= S139), Y150 (= Y152), K154 (= K156), P180 (= P182), G181 (= G183), I183 (= I185)

1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
67% identity, 98% coverage: 4:244/245 of query aligns to 5:242/243 of 1q7cA

query
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1q7cA

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active site: G15 (= G14), S137 (= S139), Q147 (= Q149), F150 (≠ Y152), K154 (= K156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G10), S13 (= S12), R14 (= R13), A35 (= A34), T36 (= T35), L57 (= L59), N58 (≠ D60), V59 (= V61), G87 (= G89), I88 (= I90)

P0A2C9 3-oxoacyl-[acyl-carrier-protein] reductase FabG; 3-ketoacyl-acyl carrier protein reductase; Beta-Ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; EC 1.1.1.100 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see paper)
66% identity, 98% coverage: 4:244/245 of query aligns to 6:243/244 of P0A2C9

query
sites
P0A2C9

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P

P

L

A

G

G

R

R

L

L

G

G

Q

G

A

A

E

Q

E

E

I

I

A

A

G

S

A

A

V

V

A

A

F

F

L

L

C
x
A

S
|
S

D

D

D

E

A

A

A

S

Y

Y

I

I

T

T

G

G

E

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

F

Y

M

M

M125 (= M126) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (≠ C224) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (= S225) 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)
66% identity, 98% coverage: 4:244/245 of query aligns to 6:243/244 of 6t77A

query
sites
6t77A

Q

K

I

I

A

A

I

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I

I

G

G

R

R

A

A

I

I

A

A

H

E

R

T

L

L

A

V

Q

A

A

R

G

G

H

A

T

K

V

V

V

I

G

G

T

T

A

A

T
|
T

S

S

E

E

D

S

G

G

A

A

A

Q

A

A

I

I

G

S

S

D

A

Y

L

L

T

-

D

-

A

-

G

G

L

A

N

N

G

G

C

K

G

G

R

L

V

M

L
|
L

D
x
N

V
|
V

S

T

D

D

P

P

A

A

S

S

V

I

E

E

A

S

F

V

V

L

A

E

A

N

V

V

S

R

D

A

E

E

F

F

G

G

I

E

P

V

T

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

M

R

R

M

M

K

K

D

D

E

D

D

E

W

W

D

N

A

D

I

I

D

E

T

T

N

N

L

L

S

S

V

V

Y

F

R

R

M

L

S

S

K

K

A

A

C

V

L

M

K

R

G

A

M

M

K

K

A

K

R

R

T

H

G

G

R

R

I

I

V

I

N

T

I

I

T

G

S
|
S

V

V

G

G

L

T

T

M

G

G

N

N

A

A

G

G

Q

Q

T

A

N

N

Y
|
Y

A

A

K

K

A

A

G

G

I

L

I

I

G

G

F

F

T

S

K

K

S

S

L

L

A

A

K

R

E

E

I

V

G

A

S

S

R

R

G

G

I

I

T

T

V

V

N

N

S

V

V

V

A

A

P

P

G

G

F

F

I

I

D

E

T

T

D

D

M

M

T

T

R

R

A

A

L

L

P

T

E

D

A

E

H

Q

K

R

T

A

A

G

L

T

L

L

A

A

S

A

I

V

P

P

L

A

G

G

R

R

L

L

G

G

Q

T

A

P

E

N

E

E

I

I

A

A

G

S

A

A

V

V

A

A

F

F

L

L

C

A

S

S

D

D

D

E

A

A

A

S

Y

Y

I

I

T

T

G

G

E

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

F

Y

M

M

active site: G16 (= G14), S138 (= S139), Y151 (= Y152)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G10), S14 (= S12), R15 (= R13), T37 (= T35), L58 (= L59), N59 (≠ D60), V60 (= V61), A87 (= A88), G88 (= G89), I89 (= I90)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
64% identity, 98% coverage: 4:244/245 of query aligns to 9:242/243 of 4i08A

query
sites
4i08A

Q

K

I

V

A

A

I

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

R

K

A

A

I

I

A

A

H

E

R

L

L

L

A

A

Q

E

A

R

G

G

H

A

T

K

V

V

V

I

G

G

T

T

A

A

T
|
T

S

S

E

E

D

S

G

G

A

A

A

Q

A

A

I

I

G

S

S

D

A

Y

L

L

T

G

D

D

A

-

G

-

L

-

N

N

G

G

C

K

G

G

R

M

V

A

L

L

D
x
N

V
|
V

S

T

D

N

P

P

A

E

S

S

V

I

E

E

A

A

F

V

V

L

A

K

A

A

V

I

S

T

D

D

E

E

F

F

G

G

I

G

P

V

T

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

M

R

R

M

M

K

K

D

E

E

E

D

E

W

W

D

S

A

D

I

I

I

M

D

E

T

T

N
|
N

L

L

S

T

S

S

V

I

Y

F

R

R

M

L

S

S

K

K

A

A

C

V

L

L

K

R

G

G

M

M

K

K

A

K

R

R

T

Q

G

G

R

R

I

I

V

I

N

N

I

V

T
x
G

S
|
S

V

V

G

G

L

T

T

M

G

G

N

N

A

A

G

G

Q
|
Q

T

A

N

N

Y
|
Y

A

A

K
|
K

A

A

G

G

I

V

I

I

G

G

F

F

T

T

K

K

S

S

L

M

A

A

K

R

E

E

I

V

G

A

S

S

R

R

G

G

I

V

T

T

V

V

N

N

S

T

V

V

A

A

P
|
P

G
|
G

F

F

I

I

D

E

T
|
T

D

D

M

M

T

N

R

-

A

-

L

-

P

-

E

D

A

E

H

Q

K

R

T

T

A

A

L

T

L

L

A

A

S

Q

I

V

P

P

L

A

G

G

R

R

L

L

G

G

Q

D

A

P

E

R

E

E

I

I

A

A

G

S

A

A

V

V

A

A

F

F

L

L

C

A

S

S

D

P

D

E

A

A

Y

Y

I

I

T

T

G

G

E

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

F

Y

M

M

active site: G19 (= G14), N113 (= N111), S141 (= S139), Q151 (= Q149), Y154 (= Y152), K158 (= K156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G10), S17 (= S12), R18 (= R13), I20 (= I15), T40 (= T35), N62 (≠ D60), V63 (= V61), N89 (= N87), A90 (= A88), G140 (≠ T138), S141 (= S139), Y154 (= Y152), K158 (= K156), P184 (= P182), G185 (= G183), T189 (= T187)

4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
64% identity, 100% coverage: 1:244/245 of query aligns to 10:253/254 of 4ag3A

query
sites
4ag3A

M

L

T

Q

D

G

Q

K

I

V

A

A

I

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

R

Q

A

A

I

I

A

A

H

L

R

E

L

L

A

G

Q

R

A

L

G

G

H

A

T

V

V

V

V

I

G

G

T

T

A

A

T
|
T

S

S

E

A

D

S

G

G

A

A

A

E

A

K

I

I

G

A

S

E

A

T

L

L

T

K

D

A

A

N

G

G

L

V

N

E

G

G

C

A

G

G

R

L

V

V

L
|
L

D
|
D

V
|
V

S

S

D

S

P

D

A

E

S

S

V

V

E

A

A

A

F

T

V

L

A

E

A

H

V

I

S

Q

D

Q

E

H

F

L

G

G

I

Q

P

P

T

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

V

R

R

M

M

K

K

D

D

E

D

D

E

W

W

D

F

A

D

I

V

D

N

T

T

N

N

L

L

S

N

S

S

V

L

Y

Y

R

R

M

L

S

S

K

K

A

A

C

V

L

L

K

R

G

G

M

M

M

T

K

K

A

A

R

R

T

W

G

G

R

R

I

I

V

I

N

N

I
|
I

T

G

S
|
S

V

V

G

G

L

A

T

M

G

G

N

N

A

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

K
|
K

A

A

G

G

I

L

I

E

G

G

F

F

T

T

K

R

S

A

L

L

A

A

K

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P
|
P

G
|
G

F
|
F

I
|
I

D

D

T
|
T

D

D

M
|
M

T
|
T

R

R

A

E

L

L

P

P

E

E

A

A

H

Q

K

R

T

E

A

A

L

L

A

G

S

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

G

K

A

V

V

V

A

G

F

F

L

L

C

A

S

S

D

D

D

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

F

Y

M

M

active site: G23 (= G14), S148 (= S139), Y161 (= Y152), K165 (= K156)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G10), S21 (= S12), R22 (= R13), G23 (= G14), I24 (= I15), T44 (= T35), L68 (= L59), D69 (= D60), V70 (= V61), N96 (= N87), A97 (= A88), I146 (= I137), S148 (= S139), Y161 (= Y152), K165 (= K156), P191 (= P182), G192 (= G183), F193 (= F184), I194 (= I185), T196 (= T187), M198 (= M189), T199 (= T190)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
63% identity, 98% coverage: 4:244/245 of query aligns to 5:242/243 of 7emgB

query
sites
7emgB

Q

K

I

I

A

V

I

L

V

V

T

T

G
|
G

A

A

S
|
S

R
|
R

G

G

I

I

G

G

R

R

A

A

I

I

A

A

H

E

R

T

L

F

A

V

Q

A

A

R

G

G

H

A

T

K

V

V

V

I

G

G

T

T

A

A

T
|
T

S

S

E

E

D

S

G

G

A

A

A

E

A

A

I

I

G

S

S

G

A

Y

L

L

T

-

D

-

A

-

G

G

L

A

N

N

G

G

C

K

G

G

R

F

V

M

L

L

D
x
N

V
|
V

S

K

D

D

P

A

A

Q

S

S

V

I

E

D

A

S

F

V

V

L

A

A

A

S

V

I

S

R

D

A

E

E

F

F

G

G

I

E

P

I

T

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

M

R

R

M

M

K

K

D

D

E

D

D

E

W

W

D

E

A

D

I

I

I

L

D

D

T

T

N

N

L

L

S

T

S

S

V

V

Y

F

R

R

M

L

S

S

K

K

A

A

C

V

L

M

K

C

G

A

M

M

K

K

A

K

R

R

T

F

G

G

R

R

I

I

V

I

N

T

I

I

T

G

S

S

V

V

G

G

L

T

T

M

G

G

N

N

A

A

G

G

Q

Q

T

A

N

N

Y

Y

A

A

K

K

A

A

G

G

I

L

I

I

G

G

F

F

T

S

K

K

S

S

L

L

A

A

K

R

E

E

I

V

G

A

S

S

R

R

G

G

I

I

T

T

V

V

N

N

S

V

V

V

A

A

P

P

G

G

F

Y

I

I

D

E

T

T

D

D

M

M

T

T

R

R

A

A

L

L

P

T

E

D

A

D

H

Q

K

R

T

A

A

G

L

I

L

L

A

S

S

S

I

V

P

P

L

A

G

N

R

R

L

P

G

G

Q

D

A

A

E

K

E

E

I

I

A

A

G

S

A

A

V

V

A

A

F

F

L

L

C

A

S

S

D

D

D

E

A

A

A

G

Y

Y

I

I

T

T

G

G

E

E

T

T

L

L

H

H

V

V

N

N

G

G

M

M

F

Y

M

M

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G10), S13 (= S12), R14 (= R13), T36 (= T35), N58 (≠ D60), V59 (= V61), I88 (= I90)

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)
63% identity, 100% coverage: 1:244/245 of query aligns to 16:254/255 of 4bo4C

query
sites
4bo4C

M

L

T

Q

D

G

Q

K

I

V

A

A

I

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

R

Q

A

A

I

I

A

A

H

L

R

E

L

L

A

G

Q

R

A

L

G

G

H

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

D

S

G

G

A

A

A

E

A

K

I

I

G

A

S

E

A

T

L

L

T

K

D

A

A

N

G

G

L

V

N

E

G

G

C

A

G

G

R

L

V

V

L

L

D

D

V

V

S

S

D

S

P

D

A

E

S

S

V

V

E

A

A

A

F

T

V

L

A

E

A

H

V

I

S

Q

D

Q

E

H

F

L

G

G

I

Q

P

P

T

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

V

R

R

M

M

K

K

D

D

E

D

D

E

W

W

D

F

A

D

I

V

I
x
V

D

N

T

T

N

N

L
|
L

S

N

S

S

V

L

Y

Y

R

R

M

L

S

S

K

K

A

A

C

V

L

L

K

R

G

G

M

M

M

T

K

K

A

A

R

R

T

W

G

G

R

R

I

I

V

I

N

N

I

I

T

G

S
|
S

V

V

G

G

L

-

T

-

G

G

N

N

A

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

K
|
K

A

A

G
|
G

I

L

I

E

G
|
G

F
|
F

T

T

K

R

S

A

L

L

A

A

K

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

-

L

-

P

-

E

E

A

A

H

Q

K

R

T

E

A

A

L

L

A

G

S

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

G

K

A

V

V

V

A

G

F

F

L

L

C

A

S

S

D

D

D

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

F

Y

M

M

active site: G29 (= G14), S154 (= S139), Y165 (= Y152), K169 (= K156)
binding N-(2-methoxyphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide: V123 (≠ I108), L127 (= L112), G171 (= G158), G174 (= G161), F175 (= F162)

4bnzA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 1-methyl-n-phenylindole- 3-carboxamide at 2.5a resolution (see paper)
61% identity, 100% coverage: 1:244/245 of query aligns to 5:240/241 of 4bnzA

query
sites
4bnzA

M

L

T

Q

D

G

Q

K

I

V

A

A

I

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

R

Q

A

A

I

I

A

A

H

L

R

E

L

L

A

G

Q

R

A

L

G

G

H

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

D

S

G

G

A

A

A

E

A

K

I

I

G

A

S

E

A

T

L

L

T

K

D

A

A

N

G

G

L

V

N

E

G

G

C

A

G

G

R

L

V

V

L

L

D

D

V

V

S

S

D

S

P

D

A

E

S

S

V

V

E

A

A

A

F

T

V

L

A

E

A

H

V

I

S

Q

D

Q

E

H

F

L

G

G

I

Q

P

P

T

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

G

-

L

-

M

-

R

R

M

M

K

K

D

D

E

D

D

E

W

W

D
x
F

A

D

I

V

I
x
V

D

N

T

T

N

N

L
|
L

S

N

S

S

V

L

Y

Y

R

R

M

L

S

S

K

K

A

A

C

V

L

L

K

R

G

G

M

M

M

T

K

K

A

A

R

R

T

W

G

G

R

R

I

I

V

I

N

N

I

I

T

G

S
|
S

V

V

G

G

L

A

T

M

G

G

N

N

A

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

I

L

I

E

G

G

F
|
F

T

T

K

R

S

A

L

L

A

A

K

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

A

A

H

Q

K

R

T

E

A

A

L

L

A

G

S

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

G

K

A

V

V

V

A

G

F

F

L

L

C

A

S

S

D

D

D

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

F

Y

M

M

active site: G18 (= G14), S135 (= S139), Y148 (= Y152), K152 (= K156)
binding 1-methyl-N-phenyl-indole-3-carboxamide: F101 (≠ D105), V104 (≠ I108), L108 (= L112), A150 (= A154), G154 (= G158), F158 (= F162)

4bnyA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 4-(2-phenylthieno(3,2-d) pyrimidin-4-yl)morpholine at 1.8a resolution (see paper)
61% identity, 100% coverage: 1:244/245 of query aligns to 4:238/239 of 4bnyA

query
sites
4bnyA

M

L

T

Q

D

G

Q

K

I

V

A

A

I

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

R

Q

A

A

I

I

A

A

H

L

R

E

L

L

A

G

Q

R

A

L

G

G

H

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

D

S

G

G

A

A

A

E

A

K

I

I

G

A

S

E

A

T

L

L

T

K

D

A

A

N

G

G

L

V

N

E

G

G

C

A

G

G

R

L

V

V

L

L

D

D

V

V

S

S

D

S

P

D

A

E

S

S

V

V

E

A

A

A

F

T

V

L

A

E

A

H

V

I

S

Q

D

Q

E

H

F

L

G

G

I

Q

P

P

T

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

G

-

L

-

M

-

R

R

M

M

K

K

D

D

E

D

D

E

W
|
W

D

F

A

D

I

V

D

N

T

T

N

N

L
|
L

S

N

S

S

V

L

Y

Y

R

R

M

L

S

S

K

K

A

A

C

V

L

L

K

R

G

G

M

M

M

T

K

K

A

A

R

R

T

W

G

G

R

R

I

I

V

I

N

N

I

I

T

G

S
|
S

V

V

G

G

L

A

T

M

G

G

N

N

A

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G

G

I

L

I

E

G
|
G

F
|
F

T

T

K

R

S

A

L

L

A

A

K

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

A

A

H

Q

K

R

T

E

A

A

L

L

A

G

S

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

G

K

A

V

V

V

A

G

F

F

L

L

C

A

S

S

D

D

D

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

F

Y

M

M

active site: G17 (= G14), S133 (= S139), Y146 (= Y152), K150 (= K156)
binding 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine: W98 (= W104), L106 (= L112), A148 (= A154), G155 (= G161), F156 (= F162)

4bnxA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 6-(4-(2-chloroanilino)- 1h-quinazolin-2-ylidene)cyclohexa-2, 4-dien-1-one at 2.3a resolution (see paper)
61% identity, 100% coverage: 1:244/245 of query aligns to 5:239/239 of 4bnxA

query
sites
4bnxA

M

L

T

Q

D

G

Q

K

I

V

A

A

I

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

R

Q

A

A

I

I

A

A

H

L

R

E

L

L

A

G

Q

R

A

L

G

G

H

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

D

S

G

G

A

A

A

E

A

K

I

I

G

A

S

E

A

T

L

L

T

K

D

A

A

N

G

G

L

V

N

E

G

G

C

A

G

G

R

L

V

V

L

L

D

D

V

V

S

S

D

S

P

D

A

E

S

S

V

V

E

A

A

A

F

T

V

L

A

E

A

H

V

I

S

Q

D

Q

E

H

F

L

G

G

I

Q

P

P

T

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

G

-

L

-

M

-

R

R

M

M

K

K

D

D

E

D

D

E

W

W

D

F

A

D

I

V

I
x
V

D
x
N

T

T

N

N

L
|
L

S

N

S

S

V

L

Y

Y

R

R

M

L

S

S

K

K

A

A

C

V

L

L

K

R

G

G

M

M

M

T

K

K

A

A

R

R

T

W

G

G

R

R

I

I

V

I

N

N

I

I

T

G

S
|
S

V

V

G

G

L

A

T

M

G

G

N

N

A

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

I

L

I

E

G
|
G

F
|
F

T

T

K

R

S

A

L

L

A

A

K

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

A

A

H

Q

K

R

T

E

A

A

L

L

A

G

S

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

G

K

A

V

V

V

A

G

F

F

L

L

C

A

S

S

D

D

D

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

F

Y

M

M

active site: G18 (= G14), S134 (= S139), Y147 (= Y152), K151 (= K156)
binding 6-[4-(2-chloroanilino)-1H-quinazolin-2-ylidene]cyclohexa-2,4-dien-1-one: V103 (≠ I108), N104 (≠ D109), L107 (= L112), A149 (= A154), G153 (= G158), G156 (= G161), F157 (= F162)

4bnuA Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 2-phenyl-4-(1,2,4- triazol-4-yl)quinazoline at 2.0a resolution (see paper)
60% identity, 100% coverage: 1:244/245 of query aligns to 5:238/239 of 4bnuA

query
sites
4bnuA

M

L

T

Q

D

G

Q

K

I

V

A

A

I

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

R

Q

A

A

I

I

A

A

H

L

R

E

L

L

A

G

Q

R

A

L

G

G

H

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

D

S

G

G

A

A

A

E

A

K

I

I

G

A

S

E

A

T

L

L

T

K

D

A

A

N

G

G

L

V

N

E

G

G

C

A

G

G

R

L

V

V

L

L

D

D

V

V

S

S

D

S

P

D

A

E

S

S

V

V

E

A

A

A

F

T

V

L

A

E

A

H

V

I

S

Q

D

Q

E

H

F

L

G

G

I

Q

P

P

T

L

I

I

L

V

V

V

N

N

A

-

G

-

I

-

T

-

R

-

D

-

G

-

L

-

M

-

R

R

M

M

K

K

D

D

E

D

D

E

W
|
W

D

F

A

D

I

V

I
x
V

D

N

T

T

N

N

L
|
L

S

N

S

S

V

L

Y

Y

R

R

M

L

S

S

K

K

A

A

C

V

L

L

K

R

G

G

M

M

M

T

K

K

A

A

R

R

T

W

G

G

R

R

I

I

V

I

N

N

I

I

T

G

S
|
S

V

V

G

G

L

A

T

M

G

G

N

N

A

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

I

L

I

E

G
|
G

F

F

T

T

K

R

S

A

L

L

A

A

K

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

A

A

H

Q

K

R

T

E

A

A

L

L

A

G

S

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

G

K

A

V

V

V

A

G

F

F

L

L

C

A

S

S

D

D

D

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

F

Y

M

M

active site: G18 (= G14), S133 (= S139), Y146 (= Y152), K150 (= K156)
binding 2-phenyl-4-(1,2,4-triazol-4-yl)quinazoline: W98 (= W104), V102 (≠ I108), L106 (= L112), A148 (= A154), G152 (= G158), G155 (= G161)

4bo7A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with n-(2,3-dihydro-1h-inden- 5-yl)tetrazolo(1,5-b)pyridazin-6-amine at 2.6a resolution (see paper)
60% identity, 100% coverage: 1:244/245 of query aligns to 5:237/238 of 4bo7A

query
sites
4bo7A

M

L

T

Q

D

G

Q

K

I

V

A

A

I

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

R

Q

A

A

I

I

A

A

H

L

R

E

L

L

A

G

Q

R

A

L

G

G

H

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

D

S

G

G

A

A

A

E

A

K

I

I

G

A

S

E

A

T

L

L

T

K

D

A

A

N

G

G

L

V

N

E

G

G

C

A

G

G

R

L

V

V

L

L

D

D

V

V

S

S

D

S

P

D

A

E

S

S

V

V

E

A

A

A

F

T

V

L

A

E

A

H

V

I

S

Q

D

Q

E

H

F

L

G

G

I

Q

P

P

T

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

G

-

L

-

M

-

R

-

M

-

K

K

D

D

E

D

D

E

W

W

D
x
F

A

D

I

V

I
x
V

D

N

T

T

N

N

L
|
L

S

N

S

S

V

L

Y

Y

R

R

M

L

S

S

K

K

A

A

C

V

L

L

K

R

G

G

M

M

M

T

K

K

A

A

R

R

T

W

G

G

R

R

I

I

V

I

N

N

I

I

T

G

S
|
S

V

V

G

G

L

A

T

M

G

G

N

N

A

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

K
|
K

A

A

G

G

I

L

I

E

G

G

F
|
F

T

T

K

R

S

A

L

L

A

A

K

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

A

A

H

Q

K

R

T

E

A

A

L

L

A

G

S

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

G

K

A

V

V

V

A

G

F

F

L

L

C

A

S

S

D

D

D

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

F

Y

M

M

active site: G18 (= G14), S132 (= S139), Y145 (= Y152), K149 (= K156)
binding N-(2,3-dihydro-1H-inden-5-yl)tetrazolo[1,5-b]pyridazin-6-amine: F98 (≠ D105), V101 (≠ I108), L105 (= L112), F155 (= F162)

4bo8A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 1-(2-amino-4- phenylimidazol-1-yl)-3-(2-fluorophenyl)urea at 2.7a resolution (see paper)
59% identity, 100% coverage: 1:244/245 of query aligns to 5:235/236 of 4bo8A

query
sites
4bo8A

M

L

T

Q

D

G

Q

K

I

V

A

A

I

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

R

Q

A

A

I

I

A

A

H

L

R

E

L

L

A

G

Q

R

A

L

G

G

H

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

D

S

G

G

A

A

A

E

A

K

I

I

G

A

S

E

A

T

L

L

T

K

D

A

A

N

G

G

L

V

N

E

G

G

C

A

G

G

R

L

V

V

L

L

D

D

V

V

S

S

D

S

P

D

A

E

S

S

V

V

E

A

A

A

F

T

V

L

A

E

A

H

V

I

S

Q

D

Q

E

H

F

L

G

G

I

Q

P

P

T

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

G

-

L

-

M

-

R

-

M

-

K

-

D

-

E

-

D

E

W
|
W

D

F

A

D

I

V

I
x
V

D
x
N

T

T

N

N

L
|
L

S

N

S

S

V

L

Y

Y

R

R

M

L

S

S

K

K

A

A

C

V

L

L

K

R

G

G

M

M

M

T

K

K

A

A

R

R

T

W

G

G

R

R

I

I

V

I

N

N

I

I

T

G

S
|
S

V

V

G

G

L

A

T

M

G

G

N

N

A

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G

G

I

L

I

E

G
|
G

F
|
F

T

T

K

R

S

A

L

L

A

A

K

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

A

A

H

Q

K

R

T

E

A

A

L

L

A

G

S

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

G

K

A

V

V

V

A

G

F

F

L

L

C

A

S

S

D

D

D

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

F

Y

M

M

active site: G18 (= G14), S130 (= S139), Y143 (= Y152), K147 (= K156)
binding 1-(2-amino-4-phenylimidazol-1-yl)-3-(2-fluorophenyl)urea: W95 (= W104), V99 (≠ I108), N100 (≠ D109), L103 (= L112), A145 (= A154), G152 (= G161), F153 (= F162)

4bo0A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 1-(4-methoxy-1- methylindazol-3-yl)-3-(2-methoxyphenyl)urea at 2.4a resolution (see paper)
59% identity, 100% coverage: 1:244/245 of query aligns to 4:234/235 of 4bo0A

query
sites
4bo0A

M

L

T

Q

D

G

Q

K

I

V

A

A

I

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

R

Q

A

A

I

I

A

A

H

L

R

E

L

L

A

G

Q

R

A

L

G

G

H

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

D

S

G

G

A

A

A

E

A

K

I

I

G

A

S

E

A

T

L

L

T

K

D

A

A

N

G

G

L

V

N

E

G

G

C

A

G

G

R

L

V

V

L

L

D

D

V

V

S

S

D

S

P

D

A

E

S

S

V

V

E

A

A

A

F

T

V

L

A

E

A

H

V

I

S

Q

D

Q

E

H

F

L

G

G

I

Q

P

P

T

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

G

-

L

-

M

-

R

-

M

-

K

-

D

-

E

-

D

E

W
|
W

D

F

A

D

I

V

I
x
V

D

N

T

T

N

N

L
|
L

S

N

S

S

V

L

Y

Y

R

R

M

L

S

S

K

K

A

A

C

V

L

L

K

R

G

G

M

M

M

T

K

K

A

A

R

R

T

W

G

G

R

R

I

I

V

I

N

N

I

I

T

G

S
|
S

V

V

G

G

L

A

T

M

G

G

N

N

A

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

I

L

I

E

G

G

F

F

T

T

K

R

S

A

L

L

A

A

K

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

A

A

H

Q

K

R

T

E

A

A

L

L

A

G

S

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

G

K

A

V

V

V

A

G

F

F

L

L

C

A

S

S

D

D

D

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

F

Y

M

M

active site: G17 (= G14), S129 (= S139), Y142 (= Y152), K146 (= K156)
binding 1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea: W94 (= W104), V98 (≠ I108), L102 (= L112), A144 (= A154), G148 (= G158)

4bo2A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 1-(1-ethylbenzimidazol-2- yl)-3-(2-methoxyphenyl)urea at 1.9a resolution (see paper)
59% identity, 100% coverage: 1:244/245 of query aligns to 7:237/238 of 4bo2A

query
sites
4bo2A

M

L

T

Q

D

G

Q

K

I

V

A

A

I

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

R

Q

A

A

I

I

A

A

H

L

R

E

L

L

A

G

Q

R

A

L

G

G

H

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

D

S

G

G

A

A

A

E

A

K

I

I

G

A

S

E

A

T

L

L

T

K

D

A

A

N

G

G

L

V

N

E

G

G

C

A

G

G

R

L

V

V

L

L

D

D

V

V

S

S

D

S

P

D

A

E

S

S

V

V

E

A

A

A

F

T

V

L

A

E

A

H

V

I

S

Q

D

Q

E

H

F

L

G

G

I

Q

P

P

T

L

I

I

L

V

V

V

N

N

A

A

G

G

I

-

T

-

R

-

D

-

G

-

L

-

M

-

R

-

M

-

K

-

D

-

E

-

D

E

W
|
W

D

F

A

D

I

V

I
x
V

D
x
N

T

T

N

N

L
|
L

S

N

S

S

V

L

Y

Y

R

R

M

L

S

S

K

K

A

A

C

V

L

L

K

R

G

G

M

M

M

T

K

K

A

A

R

R

T

W

G

G

R

R

I

I

V

I

N

N

I

I

T

G

S
|
S

V

V

G

G

L

A

T

M

G

G

N

N

A

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G

G

I

L

I

E

G
|
G

F
|
F

T

T

K

R

S

A

L

L

A

A

K

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

A

A

H

Q

K

R

T

E

A

A

L

L

A

G

S

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

G

K

A

V

V

V

A

G

F

F

L

L

C

A

S

S

D

D

D

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

F

Y

M

M

active site: G20 (= G14), S132 (= S139), Y145 (= Y152), K149 (= K156)
binding 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea: W97 (= W104), V101 (≠ I108), N102 (≠ D109), L105 (= L112), A147 (= A154), G154 (= G161), F155 (= F162)

4bo9A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 5-(2-(furan-2-ylmethoxy) phenyl)-2-phenyltetrazole at 2.9a resolution (see paper)
59% identity, 100% coverage: 1:244/245 of query aligns to 5:234/235 of 4bo9A

query
sites
4bo9A

M

L

T

Q

D

G

Q

K

I

V

A

A

I

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

R

Q

A

A

I

I

A

A

H

L

R

E

L

L

A

G

Q

R

A

L

G

G

H

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

D

S

G

G

A

A

A

E

A

K

I

I

G

A

S

E

A

T

L

L

T

K

D

A

A

N

G

G

L

V

N

E

G

G

C

A

G

G

R

L

V

V

L

L

D

D

V

V

S

S

D

S

P

D

A

E

S

S

V

V

E

A

A

A

F

T

V

L

A

E

A

H

V

I

S

Q

D

Q

E

H

F

L

G

G

I

Q

P

P

T

L

I

I

L

V

V

V

N

N

A

A

G

-

I

-

T

-

R

-

D

-

G

-

L

-

M

-

R

-

M

-

K

-

D

-

E

-

D

E

W

W

D

F

A

D

I

V

I
x
V

D
x
N

T

T

N

N

L
|
L

S

N

S

S

V

L

Y

Y

R

R

M

L

S

S

K

K

A

A

C

V

L

L

K

R

G

G

M

M

M

T

K

K

A

A

R

R

T

W

G

G

R

R

I

I

V

I

N

N

I

I

T

G

S
|
S

V

V

G

G

L

A

T

M

G

G

N

N

A

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

K
|
K

A

A

G
|
G

I

L

I

E

G
|
G

F
|
F

T

T

K

R

S

A

L

L

A

A

K

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

A

A

H

Q

K

R

T

E

A

A

L

L

A

G

S

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

G

K

A

V

V

V

A

G

F

F

L

L

C

A

S

S

D

D

D

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

F

Y

M

M

active site: G18 (= G14), S129 (= S139), Y142 (= Y152), K146 (= K156)
binding 5-[2-(furan-2-ylmethoxy)phenyl]-2-phenyltetrazole: V98 (≠ I108), N99 (≠ D109), L102 (= L112), G148 (= G158), G151 (= G161), F152 (= F162)

4bo3A Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with 2-(3-(trifluoromethyl) anilino)pyridine-3-sulfonamide at 2.5a resolution (see paper)
59% identity, 100% coverage: 1:244/245 of query aligns to 3:232/233 of 4bo3A

query
sites
4bo3A

M

L

T

Q

D

G

Q

K

I

V

A

A

I

L

V

V

T

T

G

G

A

A

S

S

R

R

G
|
G

I

I

G

G

R

Q

A

A

I

I

A

A

H

L

R

E

L

L

A

G

Q

R

A

L

G

G

H

A

T

V

V

V

V

I

G

G

T

T

A

A

T

T

S

S

E

A

D

S

G

G

A

A

A

E

A

K

I

I

G

A

S

E

A

T

L

L

T

K

D

A

A

N

G

G

L

V

N

E

G

G

C

A

G

G

R

L

V

V

L

L

D

D

V

V

S

S

D

S

P

D

A

E

S

S

V

V

E

A

A

A

F

T

V

L

A

E

A

H

V

I

S

Q

D

Q

E

H

F

L

G

G

I

Q

P

P

T

L

I

I

L

V

V

V

N

N

A

-

G

-

I

-

T

-

R

-

D

-

G

-

L

-

M

-

R

-

M

-

K

K

D

D

E

D

D

E

W
|
W

D
x
F

A

D

I

V

I
x
V

D
x
N

T

T

N

N

L
|
L

S

N

S

S

V

L

Y

Y

R

R

M

L

S

S

K

K

A

A

C

V

L

L

K

R

G

G

M

M

M

T

K

K

A

A

R

R

T

W

G

G

R

R

I

I

V

I

N

N

I

I

T

G

S
|
S

V

V

G

G

L

-

T

-

G

G

N

N

A

A

G

G

Q

Q

T

T

N

N

Y
|
Y

A

A

A
|
A

A

A

K
|
K

A

A

G
|
G

I

L

I

E

G

G

F
|
F

T

T

K

R

S

A

L

L

A

A

K

R

E

E

I

V

G

G

S

S

R

R

G

A

I

I

T

T

V

V

N

N

S

A

V

V

A

A

P

P

G

G

F

F

I

I

D

D

T

T

D

D

M

M

T

T

R

R

A

E

L

L

P

P

E

E

A

A

H

Q

K

R

T

E

A

A

L

L

A

G

S

Q

I

I

P

P

L

L

G

G

R

R

L

L

G

G

Q

Q

A

A

E

E

I

I

A

A

G

K

A

V

V

V

A

G

F

F

L

L

C

A

S

S

D

D

D

G

A

A

Y

Y

I

V

T

T

G

G

E

A

T

T

L

V

H

P

V

V

N

N

G

G

M

M

F

Y

M

M

active site: G16 (= G14), S129 (= S139), Y140 (= Y152), K144 (= K156)
binding 2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide: W94 (= W104), F95 (≠ D105), V98 (≠ I108), N99 (≠ D109), L102 (= L112), A142 (= A154), G146 (= G158), F150 (= F162)

Query Sequence

>WP_010961246.1 NCBI__GCF_000008325.1:WP_010961246.1
MTDQIAIVTGASRGIGRAIAHRLAQAGHTVVGTATSEDGAAAIGSALTDAGLNGCGRVLD
VSDPASVEAFVAAVSDEFGIPTILVNNAGITRDGLLMRMKDEDWDAIIDTNLSSVYRMSK
ACLKGMMKARTGRIVNITSVVGLTGNAGQTNYAAAKAGIIGFTKSLAKEIGSRGITVNSV
APGFIDTDMTRALPEAHKTALLASIPLGRLGQAEEIAGAVAFLCSDDAAYITGETLHVNG
GMFMP

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