SitesBLAST

P21645 UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase; UDP-3-O-(3-OHC14)-GlcN N-acyltransferase; Protein FirA; Rifampicin resistance protein; UDP-3-O-(3-hydroxytetradecanoyl)glucosamine N-acyltransferase; EC 2.3.1.191 from Escherichia coli (strain K12) (see 4 papers)
43% identity, 97% coverage: 6:323/328 of query aligns to 4:339/341 of P21645

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P21645

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F41 (= F43) mutation to A: 30-fold decrease in affinity for UDP-3-O-((3R)-hydroxytetradecanoyl)-GlcN and 5-fold decrease in catalytic activity.
Q165 (≠ R149) mutation to R: In firA200; confers temperature sensitivity and reverses the rifampicin resistance of rpoB mutants.
G228 (= G212) mutation to D: In firA200 and firA201; confers temperature sensitivity.
H239 (= H223) active site, Proton acceptor; mutation to A: 1000-fold reduction in catalytic activity with very little effect on substrate affinity.
G252 (≠ C236) mutation to S: In firA200 and firA201; confers temperature sensitivity.
S271 (≠ A255) mutation to N: In omsA; confers temperature sensitivity.
H276 (= H260) mutation to A: 30-fold reduction in catalytic activity.
M290 (≠ L274) mutation to A: Change in the acyl donor selectivity, showing a preference for 3-hydroxypalmitoyl-ACP over 3-hydroxytetradecanoyl-ACP as substrate. Produces a lipid A with longer acyl chains.
M292 (≠ A276) mutation to A: No change in the acyl donor selectivity.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

4ihhE Chasing acyl carrier protein through a catalytic cycle of lipid a production (see paper)
43% identity, 97% coverage: 6:323/328 of query aligns to 5:340/340 of 4ihhE

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active site: H240 (= H223), N241 (= N224), G258 (= G241)
binding 4'-phosphopantetheine: N275 (≠ L258), T287 (≠ S270), G288 (≠ S271), M291 (≠ L274), V292 (= V275), M293 (≠ A276), N311 (≠ H294), R315 (≠ L298)

4ihgE Chasing acyl carrier protein through a catalytic cycle of lipid a production (see paper)
44% identity, 97% coverage: 6:322/328 of query aligns to 3:337/337 of 4ihgE

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active site: H238 (= H223), N239 (= N224), G256 (= G241)
binding : R313 (≠ L298), A316 (= A301)

P0A1X4 UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase; UDP-3-O-(3-OHC14)-GlcN N-acyltransferase; UDP-3-O-(3-hydroxytetradecanoyl)glucosamine N-acyltransferase; EC 2.3.1.191 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see paper)
44% identity, 97% coverage: 6:323/328 of query aligns to 4:339/341 of P0A1X4

query
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P0A1X4

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G

G

A

A

I

L

E

D

D

D

T

T

V

V

I

I

G

G

D

N

G

G

V

V

K

I

L

I

D

D

N

N

Q

Q

I

C

Q

Q

V

I

G

A

H

H

N

N

V

V

I

I

G

G

D

D

H

N

A

T

A

A

M

V

A

A

G

G

C

G

V

V

G

I

I

M

A

A

G

G

S

S

A

L

R

K

I

I

G

G

R

R

R

Y

C

C

T

M

V

I

G

G

G

A

A

S

I

V

I

I

L

N

G

G

H

H

L

M

E

E

L

I

G

C

D

D

D

K

V

V

H

T

V

V

S

T

S

G

G

M

T

G

L

M

V
|
V

A

M

K

R

S

P

L

I

K

T

Q

E

P

P

G

G

Q

V

Y

Y

T

S

G

S

A

G

F

I

P

P

V

L

E

Q

R

P

H

N

E

K

G

V

W

W

L

R

K

K

N

T

A

A

H

L

L

V

R

M

H

N

L

I

S

D

K

D

L

M

A

S

D

K

R

R

V

L

H

K

E

A

L

I

E

E

K

R

K

K

L

V

S

N

E

Q

V291 (= V275) mutation to M: In SS-C; sensitive to hydrophobic antibiotics and compounds.

6p8aA E.Coli lpxd in complex with compound 8.1 (see paper)
44% identity, 96% coverage: 6:321/328 of query aligns to 2:335/335 of 6p8aA

query
sites
6p8aA

I

I

R

R

L

L

D

A

E

D

I

L

V

A

A

Q

R

Q

L

L

G

D

G

A

S

E

L

L

L

H

G

G

D

D

G

G

A

D

V

I

Q

V

I

I

C

T

G

G

V

V

G

A

T

S

L

M

A

Q

G

S

A

A

G

Q

E

T

G

G

Q

H

I

I

S

T

F

F

L

M

S

V

N

N

P

P

K

K

Y

Y

R

R

S

E

Q

H

L

L

A

G

S

L

T

C

R

Q

A

A

A

S

A

A

V

V

I

V

V

M

P

T

P

Q

A

D

M

D

Q

L

D

P

G

F

T

A

D

K

R

S

P

A

R

A

I

L

V

V

A

V

A

K

N

N

S

P

Y

Y

T

L

Y

T

Y

Y

A

A

R

R

V

M

A

A

Q

Q

L

I

L

L

Y

D

P

T

A

T

R

P

Q

Q

P

P

K

A

T

Q

P

N

V

I

H

A

P

P

S

S

V

A

V

V

-

I

-

D

-

A

-

T

-

A

-

K

L

L

G

G

Q

N

D

N

V

V

-

S

-

I

-

G

-

A

-

N

-

A

-

V

-

I

-

E

-

S

-

G

-

V

Q

E

L

L

G

G

E

D

G

N

V

V

V

I

I

I

H

G

A

A

G

G

C

C

V

F

I

V

G

G

D

K

G

N

A

S

S

K

I

I

G

G

D

A

G

G

S

S

V

R

L

L

H

W

P

A

N

N

V

V

T

T

V

I

Y

Y

A

H

G

E

C

I

R

Q

I

I

G

G

K

Q

R

N

A

C

L

L

I

I

H

Q

A

S

G

G

A

T

V

V

I

V

G

G

A

A

D

D

G

G

F
|
F

G

G

F

Y

A

A

K

N

D

D

G

R

E

G

A

N

W

W

L

V

K

K

I

I

P

P

Q

Q

V

I

G

G

R

R

V

V

I

I

G

G

D

D

D

R

V

V

E

E

I

I

G

G

A

A

N

C

T

T

I

I

D

D

R

R

G

G

A

A

I

L

E

D

D

D

T

T

V

I

I

I

G

G

D

N

G

G

V

V

K

I

L

I

D

D

N

N

Q

Q

I

C

Q

Q

V

I

G

A

H

H

N

N

V

V

I

I

G

G

D

D

H

N

A

T

A
|
A

M

V

A
|
A

G

G

C

G

V

V

G
x
I

I

M

A
|
A

G

G

S

S

A

L

R

K

I

I

G

G

R

R

R

Y

C

C

T
x
M

V
x
I

G
|
G

G

G

G

A

A

S

I

V

I

I

L

N

G

G

H

H

L

M

E

E

L

I

G

C

D

D

D

K

V

V

H

T

V

V

S
x
T

S
x
G

G

M

T

G

L

M

V

V

A

M

K

R

S

P

L

I

K

T

Q

E

P

P

G

G

Q

V

Y

Y

T

S

G

S

A

G

F

I

P

P

V

L

E

Q

R

P

H

N

E

K

G

V

W

W

L

R

K

K

N

T

A

A

H

L

L

V

R

M

H

N

L

I

S

D

K

D

L

M

A

S

D

K

R

R

V

L

H

K

E

S

L

L

E

E

K

R

K

K

L

V

binding 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one: F181 (= F167), I252 (≠ G238), A254 (= A240)
binding 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-[3-(morpholin-4-yl)propyl]acetamide: A246 (= A232), A248 (= A234), M264 (≠ T250), I265 (≠ V251), G266 (= G252), T284 (≠ S270), G285 (≠ S271)

6p89A E.Coli lpxd in complex with compound 7 (see paper)
44% identity, 96% coverage: 6:321/328 of query aligns to 2:335/335 of 6p89A

query
sites
6p89A

I

I

R

R

L

L

D

A

E

D

I

L

V

A

A

Q

R

Q

L

L

G

D

G

A

S

E

L

L

L

H

G

G

D

D

G

G

A

D

V

I

Q

V

I

I

C

T

G

G

V

V

G

A

T

S

L

M

A

Q

G

S

A

A

G

Q

E

T

G

G

Q

H

I

I

S

T

F

F

L

M

S

V

N

N

P

P

K

K

Y

Y

R

R

S

E

Q

H

L

L

A

G

S

L

T

C

R

Q

A

A

A

S

A

A

V

V

I

V

V

M

P

T

P

Q

A

D

M

D

Q

L

D

P

G

F

T

A

D

K

R

S

P

A

R

A

I

L

V

V

A

V

A

K

N

N

S

P

Y

Y

T

L

Y

T

Y

Y

A

A

R

R

V

M

A

A

Q

Q

L

I

L

L

Y

D

P

T

A

T

R

P

Q

Q

P

P

K

A

T

Q

P

N

V

I

H

A

P

P

S

S

V

A

V

V

-

I

-

D

-

A

-

T

-

A

-

K

L

L

G

G

Q

N

D

N

V

V

-

S

-

I

-

G

-

A

-

N

-

A

-

V

-

I

-

E

-

S

-

G

-

V

Q

E

L

L

G

G

E

D

G

N

V

V

V

I

I

I

H

G

A

A

G

G

C

C

V

F

I

V

G

G

D

K

G

N

A

S

S

K

I

I

G

G

D

A

G

G

S

S

V

R

L

L

H

W

P

A

N

N

V

V

T

T

V

I

Y

Y

A

H

G

E

C

I

R

Q

I

I

G

G

K

Q

R

N

A

C

L

L

I

I

H

Q

A

S

G

G

A

T

V

V

I

V

G

G

A

A

D

D

G

G

F
|
F

G

G

F

Y

A

A

K

N

D

D

G

R

E

G

A

N

W

W

L

V

K

K

I

I

P

P

Q

Q

V

I

G

G

R

R

V

V

I

I

G

G

D

D

D

R

V

V

E

E

I

I

G

G

A

A

N

C

T

T

I

I

D

D

R

R

G

G

A

A

I

L

E

D

D

D

T

T

V

I

I

I

G

G

D

N

G

G

V

V

K

I

L

I

D

D

N

N

Q

Q

I

C

Q

Q

V

I

G

A

H

H

N

N

V

V

I

I

G

G

D

D

H

N

A

T

A

A

M

V

A

A

G

G

C

G

V

V

G
x
I

I

M

A
|
A

G

G

S

S

A

L

R

K

I

I

G

G

R

R

R

Y

C

C

T
x
M

V
x
I

G
|
G

G

G

G

A

A

S

I

V

I

I

L

N

G

G

H

H

L

M

E

E

L

I

G

C

D

D

D

K

V

V

H

T

V

V

S
x
T

S
x
G

G

M

T

G

L

M

V

V

A

M

K

R

S

P

L

I

K

T

Q

E

P

P

G

G

Q

V

Y

Y

T

S

G

S

A

G

F

I

P

P

V

L

E

Q

R

P

H

N

E

K

G

V

W

W

L

R

K

K

N

T

A

A

H

L

L

V

R

M

H

N

L

I

S

D

K

D

L

M

A

S

D

K

R

R

V

L

H

K

E

S

L

L

E

E

K

R

K

K

L

V

binding 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one: F181 (= F167), I252 (≠ G238), A254 (= A240)
binding N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide: M264 (≠ T250), I265 (≠ V251), G266 (= G252), T284 (≠ S270), G285 (≠ S271)

6p88A E.Coli lpxd in complex with compound 6 (see paper)
44% identity, 96% coverage: 6:321/328 of query aligns to 2:335/335 of 6p88A

query
sites
6p88A

I

I

R

R

L

L

D

A

E

D

I

L

V

A

A

Q

R

Q

L

L

G

D

G

A

S

E

L

L

L

H

G

G

D

D

G

G

A

D

V

I

Q

V

I

I

C

T

G

G

V

V

G

A

T

S

L

M

A

Q

G

S

A

A

G

Q

E

T

G

G

Q

H

I

I

S

T

F

F

L

M

S

V

N

N

P

P

K

K

Y

Y

R

R

S

E

Q

H

L

L

A

G

S

L

T

C

R

Q

A

A

A

S

A

A

V

V

I

V

V

M

P

T

P

Q

A

D

M

D

Q

L

D

P

G

F

T

A

D

K

R

S

P

A

R

A

I

L

V

V

A

V

A

K

N

N

S

P

Y

Y

T

L

Y

T

Y

Y

A

A

R

R

V

M

A

A

Q

Q

L

I

L

L

Y

D

P

T

A

T

R

P

Q

Q

P

P

K

A

T

Q

P

N

V

I

H

A

P

P

S

S

V

A

V

V

-

I

-

D

-

A

-

T

-

A

-

K

L

L

G

G

Q

N

D

N

V

V

-

S

-

I

-

G

-

A

-

N

-

A

-

V

-

I

-

E

-

S

-

G

-

V

Q

E

L

L

G

G

E

D

G

N

V

V

V

I

I

I

H

G

A

A

G

G

C

C

V

F

I

V

G

G

D

K

G

N

A

S

S

K

I

I

G

G

D

A

G

G

S

S

V

R

L

L

H

W

P

A

N

N

V

V

T

T

V

I

Y

Y

A

H

G

E

C

I

R

Q

I

I

G

G

K

Q

R

N

A

C

L

L

I

I

H

Q

A

S

G

G

A

T

V

V

I

V

G

G

A

A

D

D

G

G

F
|
F

G

G

F
x
Y

A

A

K

N

D

D

G

R

E

G

A

N

W

W

L

V

K

K

I

I

P

P

Q

Q

V

I

G

G

R

R

V

V

I

I

G

G

D

D

D

R

V

V

E

E

I

I

G

G

A

A

N

C

T

T

I

I

D

D

R

R

G

G

A

A

I

L

E

D

D

D

T

T

V

I

I

I

G

G

D

N

G

G

V

V

K

I

L

I

D

D

N

N

Q

Q

I

C

Q

Q

V

I

G

A

H

H

N

N

V

V

I

I

G

G

D

D

H

N

A

T

A

A

M

V

A
|
A

G

G

C

G

V

V

G
x
I

I

M

A
|
A

G

G

S

S

A

L

R

K

I

I

G

G

R

R

R

Y

C

C

T
x
M

V

I

G

G

G

A

A

S

I

V

I

I

L

N

G

G

H

H

L

M

E

E

L

I

G

C

D

D

D

K

V

V

H

T

V

V

S

T

S
x
G

G

M

T

G

L

M

V

V

A

M

K

R

S

P

L

I

K

T

Q

E

P

P

G

G

Q

V

Y

Y

T

S

G

S

A

G

F

I

P

P

V

L

E

Q

R

P

H

N

E

K

G

V

W

W

L

R

K

K

N

T

A

A

H

L

L

V

R

M

H

N

L

I

S

D

K

D

L

M

A

S

D

K

R

R

V

L

H

K

E

S

L

L

E

E

K

R

K

K

L

V

binding 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one: F181 (= F167), Y183 (≠ F169), I252 (≠ G238), A254 (= A240)
binding N-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide: A248 (= A234), M264 (≠ T250), G285 (≠ S271)

6p87A E.Coli lpxd in complex with compound 5 (see paper)
44% identity, 96% coverage: 6:321/328 of query aligns to 2:335/335 of 6p87A

query
sites
6p87A

I

I

R

R

L

L

D

A

E

D

I

L

V

A

A

Q

R

Q

L

L

G

D

G

A

S

E

L

L

L

H

G

G

D

D

G

G

A

D

V

I

Q

V

I

I

C

T

G

G

V

V

G

A

T

S

L

M

A

Q

G

S

A

A

G

Q

E

T

G

G

Q

H

I

I

S

T

F

F

L

M

S

V

N

N

P

P

K

K

Y

Y

R

R

S

E

Q

H

L

L

A

G

S

L

T

C

R

Q

A

A

A

S

A

A

V

V

I

V

V

M

P

T

P

Q

A

D

M

D

Q

L

D

P

G

F

T

A

D

K

R

S

P

A

R

A

I

L

V

V

A

V

A

K

N

N

S

P

Y

Y

T

L

Y

T

Y

Y

A

A

R

R

V

M

A

A

Q

Q

L

I

L

L

Y

D

P

T

A

T

R

P

Q

Q

P

P

K

A

T

Q

P

N

V

I

H

A

P

P

S

S

V

A

V

V

-

I

-

D

-

A

-

T

-

A

-

K

L

L

G

G

Q

N

D

N

V

V

-

S

-

I

-

G

-

A

-

N

-

A

-

V

-

I

-

E

-

S

-

G

-

V

Q

E

L

L

G

G

E

D

G

N

V

V

V

I

I

I

H

G

A

A

G

G

C

C

V

F

I

V

G

G

D

K

G

N

A

S

S

K

I

I

G

G

D

A

G

G

S

S

V

R

L

L

H

W

P

A

N

N

V

V

T

T

V

I

Y

Y

A

H

G

E

C

I

R

Q

I

I

G

G

K

Q

R

N

A

C

L

L

I

I

H

Q

A

S

G

G

A

T

V

V

I

V

G

G

A

A

D

D

G

G

F
|
F

G

G

F

Y

A

A

K

N

D

D

G

R

E

G

A

N

W

W

L

V

K

K

I

I

P

P

Q

Q

V

I

G

G

R

R

V

V

I

I

G

G

D

D

D

R

V

V

E

E

I

I

G

G

A

A

N

C

T

T

I

I

D

D

R

R

G

G

A

A

I

L

E

D

D

D

T

T

V

I

I

I

G

G

D

N

G

G

V

V

K

I

L

I

D

D

N

N

Q

Q

I

C

Q

Q

V

I

G

A

H

H

N

N

V

V

I

I

G

G

D

D

H

N

A

T

A

A

M

V

A
|
A

G

G

C

G

V

V

G
x
I

I

M

A
|
A

G

G

S

S

A

L

R

K

I

I

G

G

R

R

R

Y

C

C

T
x
M

V

I

G
|
G

G

A

A

S

I

V

I

I

L

N

G

G

H

H

L

M

E

E

L

I

G

C

D

D

D

K

V

V

H

T

V

V

S
x
T

S
x
G

G

M

T

G

L

M

V

V

A

M

K

R

S

P

L

I

K

T

Q

E

P

P

G

G

Q

V

Y

Y

T

S

G

S

A

G

F

I

P

P

V

L

E

Q

R

P

H

N

E

K

G

V

W

W

L

R

K

K

N

T

A

A

H

L

L

V

R

M

H

N

L

I

S

D

K

D

L

M

A

S

D

K

R

R

V

L

H

K

E

S

L

L

E

E

K

R

K

K

L

V

binding 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one: F181 (= F167), I252 (≠ G238), A254 (= A240)
binding N-[(R)-(1H-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide: A248 (= A234), M264 (≠ T250), G266 (= G252), G267 (= G253), T284 (≠ S270), G285 (≠ S271)

6p86A E.Coli lpxd in complex with compound 4.1 (see paper)
44% identity, 96% coverage: 6:321/328 of query aligns to 2:335/335 of 6p86A

query
sites
6p86A

I

I

R

R

L

L

D

A

E

D

I

L

V

A

A

Q

R

Q

L

L

G

D

G

A

S

E

L

L

L

H

G

G

D

D

G

G

A

D

V

I

Q

V

I

I

C

T

G

G

V

V

G

A

T

S

L

M

A

Q

G

S

A

A

G

Q

E

T

G

G

Q

H

I

I

S

T

F

F

L

M

S

V

N

N

P

P

K

K

Y

Y

R

R

S

E

Q

H

L

L

A

G

S

L

T

C

R

Q

A

A

A

S

A

A

V

V

I

V

V

M

P

T

P

Q

A

D

M

D

Q

L

D

P

G

F

T

A

D

K

R

S

P

A

R

A

I

L

V

V

A

V

A

K

N

N

S

P

Y

Y

T

L

Y

T

Y

Y

A

A

R

R

V

M

A

A

Q

Q

L

I

L

L

Y

D

P

T

A

T

R

P

Q

Q

P

P

K

A

T

Q

P

N

V

I

H

A

P

P

S

S

V

A

V

V

-

I

-

D

-

A

-

T

-

A

-

K

L

L

G

G

Q

N

D

N

V

V

-

S

-

I

-

G

-

A

-

N

-

A

-

V

-

I

-

E

-

S

-

G

-

V

Q

E

L

L

G

G

E

D

G

N

V

V

V

I

I

I

H

G

A

A

G

G

C

C

V

F

I

V

G

G

D

K

G

N

A

S

S

K

I

I

G

G

D

A

G

G

S

S

V

R

L

L

H

W

P

A

N

N

V

V

T

T

V

I

Y

Y

A

H

G

E

C

I

R

Q

I

I

G

G

K

Q

R

N

A

C

L

L

I

I

H

Q

A

S

G

G

A

T

V

V

I

V

G

G

A

A

D

D

G

G

F
|
F

G

G

F

Y

A

A

K

N

D

D

G

R

E

G

A

N

W

W

L

V

K

K

I

I

P

P

Q

Q

V

I

G

G

R

R

V

V

I

I

G

G

D

D

D

R

V

V

E

E

I

I

G

G

A

A

N

C

T

T

I

I

D

D

R

R

G

G

A

A

I

L

E

D

D

D

T

T

V

I

I

I

G

G

D

N

G

G

V

V

K

I

L

I

D

D

N

N

Q

Q

I

C

Q

Q

V

I

G

A

H

H

N

N

V

V

I

I

G

G

D

D

H

N

A

T

A
|
A

M

V

A
|
A

G

G

C

G

V

V

G
x
I

I

M

A
|
A

G

G

S

S

A

L

R

K

I

I

G

G

R

R

R

Y

C

C

T

M

V

I

G
|
G

G

A

A

S

I

V

I

I

L

N

G

G

H

H

L

M

E

E

L

I

G

C

D

D

D

K

V

V

H

T

V

V

S
x
T

S
x
G

G

M

T

G

L

M

V

V

A

M

K

R

S

P

L

I

K

T

Q

E

P

P

G

G

Q

V

Y

Y

T

S

G

S

A

G

F

I

P

P

V

L

E

Q

R

P

H

N

E

K

G

V

W

W

L

R

K

K

N

T

A

A

H

L

L

V

R

M

H

N

L

I

S

D

K

D

L

M

A

S

D

K

R

R

V

L

H

K

E

S

L

L

E

E

K

R

K

K

L

V

binding 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one: F181 (= F167), I252 (≠ G238), A254 (= A240)
binding N-[(4-ethylphenyl)methyl]-2-[(6aR)-6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetamide: A246 (= A232), A248 (= A234), G266 (= G252), G267 (= G253), T284 (≠ S270), G285 (≠ S271)

6p85A E.Coli lpxd in complex with compound 3 (see paper)
44% identity, 96% coverage: 6:321/328 of query aligns to 2:335/335 of 6p85A

query
sites
6p85A

I

I

R

R

L

L

D

A

E

D

I

L

V

A

A

Q

R

Q

L

L

G

D

G

A

S

E

L

L

L

H

G

G

D

D

G

G

A

D

V

I

Q

V

I

I

C

T

G

G

V

V

G

A

T

S

L

M

A

Q

G

S

A

A

G

Q

E

T

G

G

Q

H

I

I

S

T

F

F

L

M

S

V

N

N

P

P

K

K

Y

Y

R

R

S

E

Q

H

L

L

A

G

S

L

T

C

R

Q

A

A

A

S

A

A

V

V

I

V

V

M

P

T

P

Q

A

D

M

D

Q

L

D

P

G

F

T

A

D

K

R

S

P

A

R

A

I

L

V

V

A

V

A

K

N

N

S

P

Y

Y

T

L

Y

T

Y

Y

A

A

R

R

V

M

A

A

Q

Q

L

I

L

L

Y

D

P

T

A

T

R

P

Q

Q

P

P

K

A

T

Q

P

N

V

I

H

A

P

P

S

S

V

A

V

V

-

I

-

D

-

A

-

T

-

A

-

K

L

L

G

G

Q

N

D

N

V

V

-

S

-

I

-

G

-

A

-

N

-

A

-

V

-

I

-

E

-

S

-

G

-

V

Q

E

L

L

G

G

E

D

G

N

V

V

V

I

I

I

H

G

A

A

G

G

C

C

V

F

I

V

G

G

D

K

G

N

A

S

S

K

I

I

G

G

D

A

G

G

S

S

V

R

L

L

H

W

P

A

N

N

V

V

T

T

V

I

Y

Y

A

H

G

E

C

I

R

Q

I

I

G

G

K

Q

R

N

A

C

L

L

I

I

H

Q

A

S

G

G

A

T

V

V

I

V

G

G

A

A

D

D

G

G

F
|
F

G

G

F

Y

A

A

K

N

D

D

G

R

E

G

A

N

W

W

L

V

K

K

I

I

P

P

Q

Q

V

I

G

G

R

R

V

V

I

I

G

G

D

D

D

R

V

V

E

E

I

I

G

G

A

A

N

C

T

T

I

I

D

D

R

R

G

G

A

A

I

L

E

D

D

D

T

T

V

I

I

I

G

G

D

N

G

G

V

V

K

I

L

I

D

D

N

N

Q

Q

I

C

Q

Q

V

I

G

A

H

H

N

N

V

V

I

I

G

G

D

D

H

N

A

T

A

A

M

V

A
|
A

G

G

C

G

V

V

G
x
I

I

M

A
|
A

G

G

S

S

A

L

R

K

I

I

G

G

R

R

R

Y

C

C

T

M

V

I

G
|
G

G

A

A

S

I

V

I

I

L

N

G

G

H

H

L

M

E

E

L

I

G

C

D

D

D

K

V

V

H

T

V

V

S

T

S
x
G

G

M

T

G

L

M

V

V

A

M

K

R

S

P

L

I

K

T

Q

E

P

P

G

G

Q

V

Y

Y

T

S

G

S

A

G

F

I

P

P

V

L

E

Q

R

P

H

N

E

K

G

V

W

W

L

R

K

K

N

T

A

A

H

L

L

V

R

M

H

N

L

I

S

D

K

D

L

M

A

S

D

K

R

R

V

L

H

K

E

S

L

L

E

E

K

R

K

K

L

V

binding 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one: F181 (= F167), I252 (≠ G238), A254 (= A240)
binding 1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazol-5-amine: A248 (= A234), G266 (= G252), G267 (= G253), G285 (≠ S271)

6p84A E.Coli lpxd in complex with compound 2o (see paper)
44% identity, 96% coverage: 6:321/328 of query aligns to 2:335/335 of 6p84A

query
sites
6p84A

I

I

R

R

L

L

D

A

E

D

I

L

V

A

A

Q

R

Q

L

L

G

D

G

A

S

E

L

L

L

H

G

G

D

D

G

G

A

D

V

I

Q

V

I

I

C

T

G

G

V

V

G

A

T

S

L

M

A

Q

G

S

A

A

G

Q

E

T

G

G

Q

H

I

I

S

T

F

F

L

M

S

V

N

N

P

P

K

K

Y

Y

R

R

S

E

Q

H

L

L

A

G

S

L

T

C

R

Q

A

A

A

S

A

A

V

V

I

V

V

M

P

T

P

Q

A

D

M

D

Q

L

D

P

G

F

T

A

D

K

R

S

P

A

R

A

I

L

V

V

A

V

A

K

N

N

S

P

Y

Y

T

L

Y

T

Y

Y

A

A

R

R

V

M

A

A

Q

Q

L

I

L

L

Y

D

P

T

A

T

R

P

Q

Q

P

P

K

A

T

Q

P

N

V

I

H

A

P

P

S

S

V

A

V

V

-

I

-

D

-

A

-

T

-

A

-

K

L

L

G

G

Q

N

D

N

V

V

-

S

-

I

-

G

-

A

-

N

-

A

-

V

-

I

-

E

-

S

-

G

-

V

Q

E

L

L

G

G

E

D

G

N

V

V

V

I

I

I

H

G

A

A

G

G

C

C

V

F

I

V

G

G

D

K

G

N

A

S

S

K

I

I

G

G

D

A

G

G

S

S

V

R

L

L

H

W

P

A

N

N

V

V

T

T

V

I

Y

Y

A

H

G

E

C

I

R

Q

I

I

G

G

K

Q

R

N

A

C

L

L

I

I

H

Q

A

S

G

G

A

T

V

V

I

V

G

G

A

A

D

D

G

G

F
|
F

G

G

F

Y

A

A

K

N

D

D

G

R

E

G

A

N

W

W

L

V

K

K

I

I

P

P

Q

Q

V

I

G

G

R

R

V

V

I

I

G

G

D

D

D

R

V

V

E

E

I

I

G

G

A

A

N

C

T

T

I

I

D

D

R

R

G

G

A

A

I

L

E

D

D

D

T

T

V

I

I

I

G

G

D

N

G

G

V

V

K

I

L

I

D

D

N

N

Q

Q

I

C

Q

Q

V

I

G

A

H

H

N

N

V

V

I

I

G

G

D

D

H

N

A

T

A

A

M

V

A
|
A

G

G

C

G

V

V

G
x
I

I

M

A
|
A

G

G

S

S

A

L

R

K

I

I

G

G

R

R

R

Y

C

C

T
x
M

V
x
I

G
|
G

G

A

A

S

I

V

I

I

L

N

G

G

H

H

L

M

E

E

L

I

G

C

D

D

D

K

V

V

H

T

V

V

S

T

S

G

G

M

T

G

L

M

V

V

A

M

K

R

S

P

L

I

K

T

Q

E

P

P

G

G

Q

V

Y

Y

T

S

G

S

A

G

F

I

P

P

V

L

E

Q

R

P

H

N

E

K

G

V

W

W

L

R

K

K

N

T

A

A

H

L

L

V

R

M

H

N

L

I

S

D

K

D

L

M

A

S

D

K

R

R

V

L

H

K

E

S

L

L

E

E

K

R

K

K

L

V

binding 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one: F181 (= F167), A248 (= A234), I252 (≠ G238), A254 (= A240), M264 (≠ T250), I265 (≠ V251), G266 (= G252), G267 (= G253)

6p83A E.Coli lpxd in complex with compound 1o (see paper)
44% identity, 96% coverage: 6:321/328 of query aligns to 2:335/335 of 6p83A

query
sites
6p83A

I

I

R

R

L

L

D

A

E

D

I

L

V

A

A

Q

R

Q

L

L

G

D

G

A

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E

L

L

L

H

G

G

D

D

G

G

A

D

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V

I

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C

T

G

G

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V

G

A

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L

M

A

Q

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S

A

A

G

Q

E

T

G

G

Q

H

I

I

S

T

F

F

L

M

S

V

N

N

P

P

K

K

Y

Y

R

R

S

E

Q

H

L

L

A

G

S

L

T

C

R

Q

A

A

A

S

A

A

V

V

I

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V

M

P

T

P

Q

A

D

M

D

Q

L

D

P

G

F

T

A

D

K

R

S

P

A

R

A

I

L

V

V

A

V

A

K

N

N

S

P

Y

Y

T

L

Y

T

Y

Y

A

A

R

R

V

M

A

A

Q

Q

L

I

L

L

Y

D

P

T

A

T

R

P

Q

Q

P

P

K

A

T

Q

P

N

V

I

H

A

P

P

S

S

V

A

V

V

-

I

-

D

-

A

-

T

-

A

-

K

L

L

G

G

Q

N

D

N

V

V

-

S

-

I

-

G

-

A

-

N

-

A

-

V

-

I

-

E

-

S

-

G

-

V

Q

E

L

L

G

G

E

D

G

N

V

V

V

I

I

I

H

G

A

A

G

G

C

C

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F

I

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G

G

D

K

G

N

A

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S

K

I

I

G

G

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A

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S

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R

L

L

H

W

P

A

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N

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T

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I

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Y

A

H

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E

C

I

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Q

I

I

G

G

K

Q

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N

A

C

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I

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H

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A

S

G

G

A

T

V

V

I

V

G

G

A

A

D

D

G

G

F
|
F

G

G

F

Y

A

A

K

N

D

D

G

R

E

G

A

N

W

W

L

V

K

K

I

I

P

P

Q

Q

V

I

G

G

R

R

V

V

I

I

G

G

D

D

D

R

V

V

E

E

I

I

G

G

A

A

N

C

T

T

I

I

D

D

R

R

G

G

A

A

I

L

E

D

D

D

T

T

V

I

I

I

G

G

D

N

G

G

V

V

K

I

L

I

D

D

N

N

Q

Q

I

C

Q

Q

V

I

G

A

H

H

N

N

V

V

I

I

G

G

D

D

H

N

A

T

A

A

M

V

A
|
A

G

G

C

G

V

V

G
x
I

I

M

A
|
A

G

G

S

S

A

L

R

K

I

I

G

G

R

R

R

Y

C

C

T
x
M

V
x
I

G
|
G

G

A

A

S

I

V

I

I

L

N

G

G

H

H

L

M

E

E

L

I

G

C

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D

D

K

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|
V

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S

G

G

M

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G

L

M

V

V

A

M

K

R

S

P

L

I

K

T

Q

E

P

P

G

G

Q

V

Y

Y

T

S

G

S

A

G

F

I

P

P

V

L

E

Q

R

P

H

N

E

K

G

V

W

W

L

R

K

K

N

T

A

A

H

L

L

V

R

M

H

N

L

I

S

D

K

D

L

M

A

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D

K

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H

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E

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L

L

E

E

K

R

K

K

L

V

binding 4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one: F181 (= F167), A248 (= A234), I252 (≠ G238), A254 (= A240), M264 (≠ T250), I265 (≠ V251), G266 (= G252), G267 (= G253), V283 (= V269)

4ihfA Chasing acyl carrier protein through a catalytic cycle of lipid a production (see paper)
43% identity, 97% coverage: 6:322/328 of query aligns to 2:336/336 of 4ihfA

query
sites
4ihfA

I

I

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R

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D

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A

A

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L

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G

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E

L

L

L

H

G

G

D

D

G

G

A

D

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V

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G

G

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V

G

A

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L

M

A

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G

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A

A

G

Q

E

T

G

G

Q

H

I

I

S

T

F

F

L

M

S

V

N

N

P

P

K

K

Y

Y

R

R

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E

Q

H

L

L

A

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L

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C

R

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A

A

A

S

A

A

V

V

I

V

V

M

P

T

P

Q

A

D

M

D

Q

L

D

P

G

F

T

A

D

K

R

S

P

A

R

A

I

L

V

V

A

V

A

K

N

N

S

P

Y

Y

T

L

Y

T

Y

Y

A

A

R

R

V

M

A

A

Q

Q

L

I

L

L

Y

D

P

T

A

T

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P

Q

Q

P

P

K

A

T

Q

P

N

V

I

H

A

P

P

S

S

V

A

V

V

-

I

-

D

-

A

-

T

-

A

-

K

L

L

G

G

Q

N

D

N

V

V

-

S

-

I

-

G

-

A

-

N

-

A

-

V

-

I

-

E

-

S

-

G

-

V

Q

E

L

L

G

G

E

D

G

N

V

V

V

I

I

I

H

G

A

A

G

G

C

C

V

F

I

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G

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D

K

G

N

A

S

S

K

I

I

G

G

D

A

G

G

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S

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R

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L

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W

P

A

N

N

V

V

T

T

V

I

Y

Y

A

H

G

E

C

I

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I

I

G

G

K

Q

R

N

A

C

L

L

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Q

A

S

G

G

A

T

V

V

I

V

G

G

A

A

D

D

G

G

F
|
F

G

G

F

Y

A

A

K

N

D

D

G

R

E

G

A

N

W

W

L

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K

K

I

I

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P

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Q

V

I

G

G

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R

V

V

I

I

G

G

D

D

D

R

V

V

E

E

I

I

G

G

A

A

N

C

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T

I

I

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D

R

R

G

G

A

A

I

L

E

D

D

D

T

T

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I

I

I

G

G

D

N

G

G

V

V

K

I

L

I

D
|
D

N

N

Q

Q

I

C

Q

Q

V

I

G
x
A

H
x
A

N
|
N

V

V

I

I

G

G

D

D

H

N

A

T

A

A

M

V

A

A

G
|
G

C

G

V

V

G
x
I

I

M

A
|
A

G
|
G

S

S

A

L

R

K

I

I

G

G

R

R

R

Y

C

C

T

M

V

I

G

G

G
|
G

G

A

A

S

I
x
V

I

I

L
x
N

G

G

H

H

L

M

E

E

L

I

G

C

D

D

D

K

V

V

H

T

V

V

S
x
T

S
x
G

G

M

T

G

L

M

V
|
V

A

M

K

R

S

P

L

I

K

T

Q

E

P

P

G

G

Q

V

Y

Y

T

S

G

S

A

G

F

I

P

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E

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P

H
x
N

E

K

G

V

W

W

L
x
R

K

K

N

T

A

A

H

L

L

V

R

M

H

N

L

I

S

D

K

D

L

M

A

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D

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R

V

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H

K

E

S

L

L

E

E

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K

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S

N

active site: A237 (≠ H223), N238 (= N224), G255 (= G241)
binding S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxytetradecanethioate: F181 (= F167), D230 (= D216), A236 (≠ G222), G249 (= G235), I252 (≠ G238), A254 (= A240), G267 (= G253), V270 (≠ I256), N272 (≠ L258), T284 (≠ S270), G285 (≠ S271), V289 (= V275), N308 (≠ H294), R312 (≠ L298)

P0CD76 UDP-3-O-acylglucosamine N-acyltransferase; EC 2.3.1.191 from Chlamydia trachomatis (strain D/UW-3/Cx) (see paper)
34% identity, 100% coverage: 1:328/328 of query aligns to 1:351/354 of P0CD76

query
sites
P0CD76

M

M

T

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Q

E

S

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A

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F

L

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K

G

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N

G

G

A

A

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G

G

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L

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A

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E

A

A

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E

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F

L

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D

N

N

P

E

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K

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Y

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L

A

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T

S

R

E

A

A

A

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A

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I

I

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S

-

R

-

T

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Q

-

F

P

Q

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M

Y

Q

R

D

D

G

L

T

N

D

K

R

N

P

F

R

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A

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E

N

S

S

P

Y

S

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L

Y

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Y

F

A

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C

A

L

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E

L

L

L

F

-

I

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-

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-

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Y

F

P

P

A

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T

A

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I

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H

P

P

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T

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A

-

I

-

E

-

D

-

H

-

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C

-

I

-

E

-

P

-

Y

-

A

V

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L

V

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C

Q

Q

D

H

V

A

Q

H

L

V

G

G

E

S

G

A

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I

I

H

G

A

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G

G

C

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V

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D

A

G

Y

A

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T

I

V

G

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E

G

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Y

L

I

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H

P

P

N

R

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I

I

G

G

K

K

R

R

A

V

L

I

I

I

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Q

A

P

G

G

A

A

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V

I

I

G

G

A

S

D

C

G

G

F

F

G

G

F

Y

A

V

K

T

D

S

G

A

E

F

A

G

W

Q

L

H

K

K

-

H

I

L

P

K

Q

H

V

L

G

G

R

K

V

V

I

I

G

E

D

D

V

V

E

E

I

I

G

G

A

A

N

N

T

T

I

I

D

D

R

R

G

G

A

R

I

F

E

K

D

H

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S

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V

I

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D

E

G

G

V

S

K

K

L

I

D
|
D

N

N

Q

L

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Q
|
Q

V

I

G

A

H

H

N
x
Q

V

V

V

E

I

V

G

G

D

Q

H

H

A

S

A

M

M

I

A

V

G

A

C

Q

V

A

G

G

I

I

A

A

G

G

S
|
S

A

T

R

K

I

I

G

G

R

N

R

H

C

V

T

I

V

I

G

G

G

Q

A

A

I

G

I

I

L

T

G

G

H
|
H

L

I

E

C

L

I

G

A

D

D

D

H

V

V

H

I

V

M

S

M

S

A

G

Q

T

T

L

G

V

V

A

T

K

K

S

S

L

I

K

T

Q

S

P

P

G

G

Q

I

Y

Y

T

G

G

G

A

A

F

-

P

P

V

A

E

R

R

P

H

Y

E

Q

G

E

W

I

L

H

K

R

N

Q

A

V

A

A

H

K

L

V

R

R

H

N

L

L

S

P

K

R

L

L

A

E

D

E

R

R

V

I

H

A

E

A

L

L

E

E

K

K

K

L

L

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S

Q

E

K

L

L

E

E

K

A

K

L

S

S

D240 (= D216) binding
Q244 (= Q220) binding
Q248 (≠ N224) binding
S266 (= S242) binding
H284 (= H260) binding

2iu8A Chlamydia trachomatis lpxd with 25mm udpglcnac (complex i) (see paper)
34% identity, 97% coverage: 1:319/328 of query aligns to 1:342/346 of 2iu8A

query
sites
2iu8A

M

M

T

S

G

Q

E

S

G

T

I

Y

R

S

L

L

D

E

E

Q

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A

A

D

R

F

L

L

G

K

G

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E

L

F

L

Q

G

G

D

N

G

G

A

A

V

T

Q

L

I

L

C

S

G

G

V

V

G

E

T

E

L

I

A

E

G

E

A

A

G

K

E

T

G

A

Q

H

I

I

S

T

F

F

L

L

S

D

N

N

P

E

K

K

Y

Y

R

A

S

K

Q

H

L

L

A

K

S

S

T

S

R

E

A

A

A

G

A

A

V

I

I

I

V

I

P

S

-

R

-

T

-

Q

-

F

P

Q

A

K

M

Y

Q

R

D

D

G

L

T

N

D

K

R

N

P

F

R

L

I

I

V

T

A

S

A

E

N

S

S

P

Y

S

T

L

Y

V

Y

F

A

Q

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K

V

C

A

L

Q

E

L

L

L

F

-

I

-

T

-

P

-

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-

D

-

S

-

G

Y

F

P

P

A

G

R

I

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H

P

P

K

T

T

A

P

V

V

I

H

H

P

P

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T

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A

-

I

-

E

-

D

-

H

-

V

-

C

-

I

-

E

-

P

-

Y

-

A

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V

L

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C

Q

Q

D

H

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A

Q

H

L

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G

G

E

S

G

A

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C

V

H

I

I

H

G

A

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G

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C

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V

I

I

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G

D

A

G

Y

A

S

S

T

I

V

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G

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E

G

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S

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Y

L

I

H

H

P

P

N

R

V

V

T

V

V

I

Y

R

A

E

G

R

C

V

R

S

I

I

G

G

K

K

R

R

A

V

L

I

I

I

H

Q

A

P

G

G

A

A

V

V

I

I

G

G

A

S

D

C

G

G

F
|
F

G
|
G

F

Y

A

V

K

T

D

S

G

A

E

F

A

G

W

Q

L

H

K

K

-

H

I

L

P

K

Q

H

V

L

G

G

R

K

V

V

I

I

G

E

D

D

V

V

E

E

I

I

G

G

A

A

N

N

T

T

I

I

D

D

R

R

G

G

A

R

I

F

E

K

D

H

T

S

V

V

I

V

G

R

D

E

G

G

V

S

K

K

L

I

D
|
D

N

N

Q

L

I

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Q
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Q

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I

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x
A

H
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H

N
x
Q

V

V

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E

I

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G

D

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H

A

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A

M

M

I

A

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A

C

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A

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G

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G

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N

R

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G

G

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x
G

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G

H
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H

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C

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A

D

D

D

H

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H

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M

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M

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x
A

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x
Q

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A
x
T

K

K

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S

L

I

K

T

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S

P

P

G

G

Q

I

Y

Y

T

G

G

G

A

A

F

-

P

P

V

A

E

R

R

P

H

Y

E

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G

E

W

I

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N

Q

A

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A

A

H

K

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R

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N

L

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P

K

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E

R

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E

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K

binding palmitic acid: D240 (= D216), Q244 (= Q220), A246 (≠ G222), A264 (= A240), G280 (≠ I256), T282 (≠ L258), A295 (≠ S271), Q296 (≠ G272), T300 (≠ A276)
binding uridine-diphosphate-n-acetylglucosamine: F190 (= F167), G191 (= G168), H247 (= H223), Q248 (≠ N224), G265 (= G241), G283 (= G259), H284 (= H260)

7okbA Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 45 (see paper)
26% identity, 55% coverage: 98:279/328 of query aligns to 6:177/258 of 7okbA

query
sites
7okbA

P

P

K

R

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A

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I

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D

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A

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A

D

D

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E

-

G

-

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-

I

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-

A

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A

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I

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N

H

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D

K

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G

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E

A

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-

L

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K

-

I

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P

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Q

-

V

-

G

T

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R

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L

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I

I

G

G

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D

D

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N

E

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N

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T

I

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D

D

-

R

-

A

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T

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T

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I

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D

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V

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I

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N

H

H

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C

A

I

M

L

A
x
V

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x
N

C

N

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T

G

A

I

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A
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A

G

G

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H

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H

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R

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R

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C

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G

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Y

A

T

I

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I

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x
H

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Q

H

Y

L

C

E

R

L

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G

G

D

A

D

H

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H
x
F

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S
x
M

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binding ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(6-oxidanylidene-1~{H}-pyridin-3-yl)methyl]ethanamide: V132 (≠ A234), N133 (≠ G235), A138 (= A240), S150 (≠ G252), G151 (= G253), H156 (≠ L258), F166 (≠ H268), M169 (≠ S271)

7ok1A Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 3 (see paper)
26% identity, 55% coverage: 98:279/328 of query aligns to 6:177/258 of 7ok1A

query
sites
7ok1A

P

P

K

R

T

A

P

I

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I

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D

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P

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S

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A

V

R

L

L

G

A

Q

A

D

D

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Q

L

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G

E

-

G

-

V

-

I

-

H

-

A

P

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D

A

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A

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E

I

I

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E

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P

N

H

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D

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x
D

F
x
L

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Y

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K

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G

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-

L

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I

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D

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R

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A

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T

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I

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M

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x
H

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G

H

H

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D

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S

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I

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G

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N

H

H

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C

A

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M

L

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x
V

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x
N

C

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A

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G

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x
Q

H

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R

L

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x
M

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binding ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide: D70 (≠ G168), L71 (≠ F169), H118 (≠ Q220), V132 (≠ A234), N133 (≠ G235), A138 (= A240), S150 (≠ G252), G151 (= G253), Q157 (≠ G259), M169 (≠ S271)

7ojyA Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 6 (see paper)
26% identity, 55% coverage: 98:279/328 of query aligns to 6:177/258 of 7ojyA

query
sites
7ojyA

P

P

K

R

T

A

P

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I

H

D

P

P

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S

V

A

V

R

L

L

G

A

Q

A

D

D

V

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Q

L

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G

G

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-

G

-

V

-

I

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H

-

A

P

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W

C

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D

A

G

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A

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S

E

I

I

G

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E

G

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V

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P

N

H

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V

L

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A

G

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C

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K

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I

G

G

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K

R

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A

N

L

R

I

I

H

Y

A

Q

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F

A

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S

I

V

G

G

A

E

D

D

G

T

F

P

G

D

F

L

A

K

K

Y

D

K

G

G

E

E

A

P

W

-

L

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K

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I

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P

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Q

-

V

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G

T

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R

V

L

I

V

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I

G

G

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D

D

H

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N

E

V

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A

E

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G

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T

I

I

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R

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D

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R

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A

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T

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T

I

I

G

G

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D

G

H

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N

K

L

L

I

D

M

N

A

Q

Y

I

A

Q
x
H

V

I

G

G

H

H

N

D

V

S

V

V

I

I

G

G

D

N

H

H

A

C

A

I

M

L

A
x
V

G
x
N

C

N

V

T

G

A

I

L

A
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A

G

G

S

H

A

V

R

H

I

V

G

D

R

D

R

W

C

A

T

I

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L

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x
S

G
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G

G

Y

A

T

I

L

I

V

L

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G
x
Q

H

Y

L

C

E

R

L

I

G

G

D

A

D

H

V

S

H

F

V

S

S

G

S
x
M

G

G

T

S

L

A

V

I

A

G

K

K

S

D

L

V

binding 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide: H118 (≠ Q220), V132 (≠ A234), N133 (≠ G235), A138 (= A240), S150 (≠ G252), G151 (= G253), Q157 (≠ G259), M169 (≠ S271)

Query Sequence

>Dsui_2684 FitnessBrowser__PS:Dsui_2684
MTGEGIRLDEIVARLGGSLLGDGAVQICGVGTLAGAGEGQISFLSNPKYRSQLASTRAAA
VIVPPAMQDGTDRPRIVAANSYTYYARVAQLLYPARQPKTPVHPSVVLGQDVQLGEGVVI
HAGCVIGDGASIGDGSVLHPNVTVYAGCRIGKRALIHAGAVIGADGFGFAKDGEAWLKIP
QVGRVIIGDDVEIGANTTIDRGAIEDTVIGDGVKLDNQIQVGHNVVIGDHAAMAGCVGIA
GSARIGRRCTVGGGAIILGHLELGDDVHVSSGTLVAKSLKQPGQYTGAFPVERHEGWLKN
AAHLRHLSKLADRVHELEKKLSELEKKS

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