SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing HSERO_RS21030 FitnessBrowser__HerbieS:HSERO_RS21030 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)

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)
39% identity, 80% coverage: 1:136/170 of query aligns to 109:261/341 of P0A1X4

query
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P0A1X4

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Sites not aligning to the query:

291 V→M: In SS-C; sensitive to hydrophobic antibiotics and compounds.

6p8aA E.Coli lpxd in complex with compound 8.1 (see paper)
38% identity, 76% coverage: 8:136/170 of query aligns to 114:259/335 of 6p8aA

query
sites
6p8aA

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Sites not aligning to the query:

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: 264, 265, 266, 284, 285

6p89A E.Coli lpxd in complex with compound 7 (see paper)
38% identity, 76% coverage: 8:136/170 of query aligns to 114:259/335 of 6p89A

query
sites
6p89A

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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 (≠ L57), I252 (≠ H129), A254 (≠ S131)

Sites not aligning to the query:

binding N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide: 264, 265, 266, 284, 285

6p88A E.Coli lpxd in complex with compound 6 (see paper)
38% identity, 76% coverage: 8:136/170 of query aligns to 114:259/335 of 6p88A

query
sites
6p88A

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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 (≠ L57), Y183 (≠ F60), I252 (≠ H129), A254 (≠ S131)
binding N-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide: A248 (= A125)

Sites not aligning to the query:

binding N-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide: 264, 285

6p87A E.Coli lpxd in complex with compound 5 (see paper)
38% identity, 76% coverage: 8:136/170 of query aligns to 114:259/335 of 6p87A

query
sites
6p87A

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Sites not aligning to the query:

binding N-[(R)-(1H-indol-3-yl)(thiophen-2-yl)methyl]-2-(2-methoxyphenoxy)-N-methylacetamide: 264, 266, 267, 284, 285

6p86A E.Coli lpxd in complex with compound 4.1 (see paper)
38% identity, 76% coverage: 8:136/170 of query aligns to 114:259/335 of 6p86A

query
sites
6p86A

V

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Sites not aligning to the query:

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: 266, 267, 284, 285

6p85A E.Coli lpxd in complex with compound 3 (see paper)
38% identity, 76% coverage: 8:136/170 of query aligns to 114:259/335 of 6p85A

query
sites
6p85A

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Sites not aligning to the query:

binding 1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazol-5-amine: 266, 267, 285

6p84A E.Coli lpxd in complex with compound 2o (see paper)
38% identity, 76% coverage: 8:136/170 of query aligns to 114:259/335 of 6p84A

query
sites
6p84A

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R

V

V

E

E

I

I

G

G

A

A

L

C

C

T

A

T

V

I

G

D

R

R

G

G

T

A

I

L

D

D

T

T

V

I

I

I

G

G

N

N

N

G

T

V

H

I

I

I

G

D

P

N

Q

Q

V

C

N

Q

I

I

G

A

H

H

N

N

S

V

V

V

I

I

G

G

M

D

R

N

C

T

Q

A

I

V

A
|
A

G

G

R

G

S

V

H
x
I

L

M

S
x
A

G

G

S

S

V

L

V

K

I

I

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 (≠ L57), A248 (= A125), I252 (≠ H129), A254 (≠ S131)

Sites not aligning to the query:

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: 264, 265, 266, 267

6p83A E.Coli lpxd in complex with compound 1o (see paper)
38% identity, 76% coverage: 8:136/170 of query aligns to 114:259/335 of 6p83A

query
sites
6p83A

V

V

S

S

I

I

G

G

E

A

G

N

V

A

I

V

I

I

E

E

D

S

D

G

V

V

Q

E

I

L

G

G

E

D

N

N

T

V

R

I

I

I

E

G

T

A

G

G

A

C

L

F

I

V

G

G

R

K

G

N

S

S

R

K

I

I

G

G

A

A

R

G

S

S

R

R

I

L

G

W

A

A

R

N

-

V

-

T

-

I

-

Y

-

H

-

E

-

I

-

Q

-

I

-

G

-

Q

-

N

-

C

-

L

-

I

-

Q

-

S

-

G

T

T

V

V

I

V

G

G

N

A

E

D

G

G

L
x
F

G

G

S

-

F

Y

E

A

T

N

A

D

D

R

G

G

Q

N

L

W

R

V

N

K

V

I

R

P

H

Q

L

I

G

G

N

R

V

V

R

I

I

I

G

G

D

D

D

R

V

V

E

E

I

I

G

G

A

A

L

C

C

T

A

T

V

I

G

D

R

R

G

G

T

A

I

L

D

D

T

T

V

I

I

I

G

G

N

N

N

G

T

V

H

I

I

I

G

D

P

N

Q

Q

V

C

N

Q

I

I

G

A

H

H

N

N

S

V

V

V

I

I

G

G

M

D

R

N

C

T

Q

A

I

V

A
|
A

G

G

R

G

S

V

H
x
I

L

M

S
x
A

G

G

S

S

V

L

V

K

I

I

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 (≠ L57), A248 (= A125), I252 (≠ H129), A254 (≠ S131)

Sites not aligning to the query:

binding 4-(2-chlorophenyl)-3-hydroxy-7,7-dimethyl-2-phenyl-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one: 264, 265, 266, 267, 283

4ihgE Chasing acyl carrier protein through a catalytic cycle of lipid a production (see paper)
38% identity, 76% coverage: 8:136/170 of query aligns to 115:260/337 of 4ihgE

query
sites
4ihgE

V

V

S

S

I

I

G

G

E

A

G

N

V

A

I

V

I

I

E

E

D

S

D

G

V

V

Q

E

I

L

G

G

E

D

N

N

T

V

R

I

I

I

E

G

T

A

G

G

A

C

L

F

I

V

G

G

R

K

G

N

S

S

R

K

I

I

G

G

A

A

R

G

S

S

R

R

I

L

G

W

A

A

R

N

-

V

-

T

-

I

-

Y

-

H

-

E

-

I

-

Q

-

I

-

G

-

Q

-

N

-

C

-

L

-

I

-

Q

-

S

-

G

T

T

V

V

I

V

G

G

N

A

E

D

G

G

L

F

G

G

S

-

F

Y

E

A

T

N

A

D

D

R

G

G

Q

N

L

W

R

V

N

K

V

I

R

P

H

Q

L

I

G

G

N

R

V

V

R

I

I

I

G

G

D

D

D

R

V

V

E

E

I

I

G

G

A

A

L

C

C

T

A

T

V

I

G

D

R

R

G

G

T

A

I

L

D

D

T

T

V

I

I

I

G

G

N

N

N

G

T

V

H

I

I

I

G

D

P

N

Q

Q

V

C

N

Q

I

I

G

A

H
|
H

N
|
N

S

V

V

V

I

I

G

G

M

D

R

N

C

T

Q

A

I

V

A

A

G

G

R

G

S

V

H

I

L

M

S

A

G
|
G

S

S

V

L

V

K

I

I

active site: H238 (= H114), N239 (= N115), G256 (= G132)

Sites not aligning to the query:

binding : 313, 316

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)
38% identity, 76% coverage: 8:136/170 of query aligns to 116:261/341 of P21645

query
sites
P21645

V

V

S

S

I

I

G

G

E

A

G

N

V

A

I

V

I

I

E

E

D

S

D

G

V

V

Q

E

I

L

G

G

E

D

N

N

T

V

R

I

I

I

E

G

T

A

G

G

A

C

L

F

I

V

G

G

R

K

G

N

S

S

R

K

I

I

G

G

A

A

R

G

S

S

R

R

I

L

G

W

A

A

R

N

-

V

-

T

-

I

-

Y

-

H

-

E

-

I

-
x
Q

-

I

-

G

-

Q

-

N

-

C

-

L

-

I

-

Q

-

S

-

G

T

T

V

V

I

V

G

G

N

A

E

D

G

G

L

F

G

G

S

-

F

Y

E

A

T

N

A

D

D

R

G

G

Q

N

L

W

R

V

N

K

V

I

R

P

H

Q

L

I

G

G

N

R

V

V

R

I

I

I

G

G

D

D

D

R

V

V

E

E

I

I

G

G

A

A

L

C

C

T

A

T

V

I

G

D

R

R

G

G

T

A

I

L

D

D

T

T

V

I

I

I

G

G

N

N

N
x
G

T

V

H

I

I

I

G

D

P

N

Q

Q

V

C

N

Q

I

I

G

A

H
|
H

N

N

S

V

V

V

I

I

G

G

M

D

R

N

C

T

Q

A

I

V

A

A

G

G

R
x
G

S

V

H

I

L

M

S

A

G

G

S

S

V

L

V

K

I

I

Q165 (vs. gap) mutation to R: In firA200; confers temperature sensitivity and reverses the rifampicin resistance of rpoB mutants.
G228 (≠ N103) mutation to D: In firA200 and firA201; confers temperature sensitivity.
H239 (= H114) active site, Proton acceptor; mutation to A: 1000-fold reduction in catalytic activity with very little effect on substrate affinity.
G252 (≠ R127) mutation to S: In firA200 and firA201; confers temperature sensitivity.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
41 F→A: 30-fold decrease in affinity for UDP-3-O-((3R)-hydroxytetradecanoyl)-GlcN and 5-fold decrease in catalytic activity.
271 S→N: In omsA; confers temperature sensitivity.
276 H→A: 30-fold reduction in catalytic activity.
290 M→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.
292 M→A: No change in the acyl donor selectivity.

4ihhE Chasing acyl carrier protein through a catalytic cycle of lipid a production (see paper)
38% identity, 76% coverage: 8:136/170 of query aligns to 117:262/340 of 4ihhE

query
sites
4ihhE

V

V

S

S

I

I

G

G

E

A

G

N

V

A

I

V

I

I

E

E

D

S

D

G

V

V

Q

E

I

L

G

G

E

D

N

N

T

V

R

I

I

I

E

G

T

A

G

G

A

C

L

F

I

V

G

G

R

K

G

N

S

S

R

K

I

I

G

G

A

A

R

G

S

S

R

R

I

L

G

W

A

A

R

N

-

V

-

T

-

I

-

Y

-

H

-

E

-

I

-

Q

-

I

-

G

-

Q

-

N

-

C

-

L

-

I

-

Q

-

S

-

G

T

T

V

V

I

V

G

G

N

A

E

D

G

G

L

F

G

G

S

-

F

Y

E

A

T

N

A

D

D

R

G

G

Q

N

L

W

R

V

N

K

V

I

R

P

H

Q

L

I

G

G

N

R

V

V

R

I

I

I

G

G

D

D

D

R

V

V

E

E

I

I

G

G

A

A

L

C

C

T

A

T

V

I

G

D

R

R

G

G

T

A

I

L

D

D

T

T

V

I

I

I

G

G

N

N

N

G

T

V

H

I

I

I

G

D

P

N

Q

Q

V

C

N

Q

I

I

G

A

H
|
H

N
|
N

S

V

V

V

I

I

G

G

M

D

R

N

C

T

Q

A

I

V

A

A

G

G

R

G

S

V

H

I

L

M

S

A

G
|
G

S

S

V

L

V

K

I

I

active site: H240 (= H114), N241 (= N115), G258 (= G132)

Sites not aligning to the query:

binding 4'-phosphopantetheine: 275, 287, 288, 291, 292, 293, 311, 315

4ihfA Chasing acyl carrier protein through a catalytic cycle of lipid a production (see paper)
37% identity, 76% coverage: 8:136/170 of query aligns to 114:259/336 of 4ihfA

query
sites
4ihfA

V

V

S

S

I

I

G

G

E

A

G

N

V

A

I

V

I

I

E

E

D

S

D

G

V

V

Q

E

I

L

G

G

E

D

N

N

T

V

R

I

I

I

E

G

T

A

G

G

A

C

L

F

I

V

G

G

R

K

G

N

S

S

R

K

I

I

G

G

A

A

R

G

S

S

R

R

I

L

G

W

A

A

R

N

-

V

-

T

-

I

-

Y

-

H

-

E

-

I

-

Q

-

I

-

G

-

Q

-

N

-

C

-

L

-

I

-

Q

-

S

-

G

T

T

V

V

I

V

G

G

N

A

E

D

G

G

L
x
F

G

G

S

-

F

Y

E

A

T

N

A

D

D

R

G

G

Q

N

L

W

R

V

N

K

V

I

R

P

H

Q

L

I

G

G

N

R

V

V

R

I

I

I

G

G

D

D

D

R

V

V

E

E

I

I

G

G

A

A

L

C

C

T

A

T

V

I

G

D

R

R

G

G

T

A

I

L

D

D

T

T

V

I

I

I

G

G

N

N

N

G

T

V

H

I

I

I

G
x
D

P

N

Q

Q

V

C

N

Q

I

I

G
x
A

H
x
A

N
|
N

S

V

V

V

I

I

G

G

M

D

R

N

C

T

Q

A

I

V

A

A

G
|
G

R

G

S

V

H
x
I

L

M

S
x
A

G
|
G

S

S

V

L

V

K

I

I

active site: A237 (≠ H114), N238 (= N115), G255 (= G132)
binding S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxytetradecanethioate: F181 (≠ L57), D230 (≠ G107), A236 (≠ G113), G249 (= G126), I252 (≠ H129), A254 (≠ S131)

Sites not aligning to the query:

binding S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxytetradecanethioate: 267, 270, 272, 284, 285, 289, 308, 312

6uecA Pseudomonas aeruginosa lpxd complex structure with ligand (see paper)
38% identity, 88% coverage: 4:152/170 of query aligns to 130:271/337 of 6uecA

query
sites
6uecA

I

I

A

G

P

A

G

G

V

V

S

S

I

I

G

G

E

A

G

H

V

C

I

V

I

I

E

G

D

A

D

R

V

S

Q

V

I

I

G

G

E

E

N

G

T

G

R

W

I

L

E

A

T

P

G

R

A

V

L

T

I

L

G

Y

R

H

G

D

S

V

R

T

I

I

G

G

A

A

R

R

S

V

R

S

I

I

G

Q

A

S

R

G

T

A

V

V

I

I

G

G

N

G

E

E

G

G

L

F

G

G

S

-

F

F

E

A

T

N

A

E

D

K

G

G

Q

V

L

W

R

Q

N

K

V

I

R

A

H

Q

L

I

G

G

N

G

V

V

R

T

I

I

G

G

D

D

V

V

E

E

I

I

G

G

A

A

L

N

C

T

A

T

V

I

G

D

R

R

G

G

T

A

I

L

D

S

D

D

T

T

V

L

I

I

G

G

N

N

N

G

T

V

H

K

I

L

G

D

P

N

Q

Q

V

I

N

M

I

I

G

A

H

H

N

N

S

V

V

Q

I

I

G

G

M

D

R

H

C

T

Q

A

I

M

A

A

G

A

R

C

S

V

H

G

L

I

S
|
S

G

G

S

S

V

-

I

-

E

-

D

-

E

-

A

A

K

K

L

I

W

G

A

R

N

H

C

C

T

M

L

L

K

A

D

G

G

G

V

V

binding 4-(naphthalen-1-yl)-4-oxobutanoic acid: S256 (= S131)

Sites not aligning to the query:

binding 4-(naphthalen-1-yl)-4-oxobutanoic acid: 274, 290

3pmoA The structure of lpxd from pseudomonas aeruginosa at 1.3 a resolution (see paper)
38% identity, 88% coverage: 4:152/170 of query aligns to 150:291/357 of 3pmoA

query
sites
3pmoA

I

I

A

G

P

A

G

G

V

V

S

S

I

I

G

G

E

A

G

H

V

C

I

V

I

I

E

G

D

A

D

R

V

S

Q

V

I

I

G

G

E

E

N

G

T

G

R

W

I

L

E

A

T

P

G

R

A

V

L

T

I

L

G

Y

R

H

G

D

S

V

R

T

I

I

G

G

A

A

R

R

S

V

R

S

I

I

G

Q

A

S

R

G

T

A

V

V

I

I

G

G

N

G

E

E

G

G

L

F

G

G

S

-

F

F

E

A

T

N

A

E

D

K

G

G

Q

V

L

W

R

Q

N

K

V

I

R

A

H

Q

L

I

G

G

N

G

V

V

R

T

I

I

G

G

D

D

V

V

E

E

I

I

G

G

A

A

L

N

C

T

A

T

V

I

G

D

R

R

G

G

T

A

I

L

D

S

D

D

T

T

V

L

I

I

G

G

N

N

N

G

T

V

H

K

I

L

G

D

P

N

Q

Q

V

I

N

M

I

I

G

A

H

H

N

N

S

V

V

Q

I

I

G

G

M

D

R

H

C

T

Q

A

I

M

A

A

G

A

R

C

S

V

H

G

L

I

S

S

G

G

S

S

V

-

I

-

E

-

D

-

E

-

A

A

K

K

L

I

W

G

A

R

N

H

C

C

T

M

L

L

K

A

D

G

G

G

V

V

Sites not aligning to the query:

binding chloride ion: 15, 63, 67

2iu8A Chlamydia trachomatis lpxd with 25mm udpglcnac (complex i) (see paper)
34% identity, 84% coverage: 10:152/170 of query aligns to 143:291/346 of 2iu8A

query
sites
2iu8A

I

I

G

G

E

S

G

G

V

S

I

V

I

I

E

G

D

A

D

Y

V

S

Q

T

I

V

G

G

E

E

N

H

T

S

R

Y

I

I

E

H

T

P

G

R

A

V

L

V

I

I

G

R

R

E

G

R

S

V

R

S

I

I

G

G

A

K

R

R

S

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R

I

I

I

G

Q

A

P

R

G

T

A

V

V

I

I

G

G

N

S

E

C

G

G

L
x
F

G
|
G

S

Y

F

V

E

T

T

S

A

A

D

F

G

G

Q

Q

L

H

R

K

N

H

V

L

R

K

H

H

L

L

G

G

N

K

V

V

R

I

I

I

G

E

D

D

V

V

E

E

I

I

G

G

A

A

L

N

C

T

A

T

V

I

G

D

R

R

G

G

T

R

I

F

D

K

D

H

T

S

V

V

-

V

-

R

-

E

-

G

-

S

-

K

I

I

G
x
D

N

N

N

L

T

V

H
x
Q

I

I

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x
A

P
x
H

Q
|
Q

V

V

N

E

I

V

G

G

H

Q

N

H

S

S

V

M

I

I

G

V

M

A

R

Q

C

A

Q

G

I

I

A
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A

G
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G

R

S

S

T

H

K

L

I

S

G

G

N

S

H

V

V

V

I

I

I

E

G

D

G

E

Q

A

A

K
x
G

L

I

W
x
T

A
x
G

N
x
H

C

I

T

C

L

I

K

A

D

D

G

H

V

V

binding palmitic acid: D240 (≠ G101), Q244 (≠ H105), A246 (≠ G107), A264 (= A125), G280 (≠ K141), T282 (≠ W143)
binding uridine-diphosphate-n-acetylglucosamine: F190 (≠ L57), G191 (= G58), H247 (≠ P108), Q248 (= Q109), G265 (= G126), G283 (≠ A144), H284 (≠ N145)

Sites not aligning to the query:

binding palmitic acid: 295, 296, 300

P0CD76 UDP-3-O-acylglucosamine N-acyltransferase; EC 2.3.1.191 from Chlamydia trachomatis (strain D/UW-3/Cx) (see paper)
34% identity, 84% coverage: 10:152/170 of query aligns to 143:291/354 of P0CD76

query
sites
P0CD76

I

I

G

G

E

S

G

G

V

S

I

V

I

I

E

G

D

A

D

Y

V

S

Q

T

I

V

G

G

E

E

N

H

T

S

R

Y

I

I

E

H

T

P

G

R

A

V

L

V

I

I

G

R

R

E

G

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R

S

I

I

G

G

A

K

R

R

S

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R

I

I

I

G

Q

A

P

R

G

T

A

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V

I

I

G

G

N

S

E

C

G

G

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F

G

G

S

Y

F

V

E

T

T

S

A

A

D

F

G

G

Q

Q

L

H

R

K

N

H

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R

K

H

H

L

L

G

G

N

K

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V

R

I

I

I

G

E

D

D

V

V

E

E

I

I

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G

A

A

L

N

C

T

A

T

V

I

G

D

R

R

G

G

T

R

I

F

D

K

D

H

T

S

V

V

-

V

-

R

-

E

-

G

-

S

-

K

I

I

G
x
D

N

N

N

L

T

V

H
x
Q

I

I

G

A

P

H

Q
|
Q

V

V

N

E

I

V

G

G

H

Q

N

H

S

S

V

M

I

I

G

V

M

A

R

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C

A

Q

G

I

I

A

A

G

G

R
x
S

S

T

H

K

L

I

S

G

G

N

S

H

V

V

V

I

I

I

E

G

D

G

E

Q

A

A

K

G

L

I

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T

A

G

N
x
H

C

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C

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I

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A

D

D

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H

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V

D240 (≠ G101) binding
Q244 (≠ H105) binding
Q248 (= Q109) binding
S266 (≠ R127) binding
H284 (≠ N145) binding

7okbA Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 45 (see paper)
31% identity, 100% coverage: 1:170/170 of query aligns to 13:177/258 of 7okbA

query
sites
7okbA

S

S

V

A

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A

A

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A

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I

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V

S

I

I

I

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A

D

E

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V

Q

E

I

I

G

G

E

E

N

G

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V

I

I

E

G

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G

H

A

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L

V

I

L

G

K

R

G

G

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S

T

R

K

I

I

G

G

A

K

R

H

S

N

R

R

I

I

G

Y

A

Q

R

F

T

S

V

S

I

V

G

G

N

E

E

D

G

-

L

-

G

-

S

-

F

-

E

-

T

T

A

P

D

D

G

-

Q

-

L

L

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N

Y

V

K

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H

E

L

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G

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N

R

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L

R

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I

I

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G

D

D

D

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N

E

V

I

I

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R

A

E

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G

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A

T

V

I

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H

R

R

G

G

T

T

I

V

D

Q

D

D

-

R

-

A

-

E

T

T

V

T

I

I

G

G

N

D

N

H

T

N

H

L

I

I

G

M

P

A

Q

Y

V

A

N

H

I

I

G

G

H

H

N

D

S

S

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V

I

I

G

G

M

N

R

H

C

C

Q

I

I

L

A
x
V

G
x
N

R

N

S

T

H

A

L

L

S
x
A

G

G

S

H

V

V

V

H

I

V

E

D

D

D

E

W

A

A

K

I

L

L

W
x
S

A
x
G

N

Y

C

T

T

L

L

V

K
x
H

D

Q

G

Y

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C

R

R

I

I

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A

G

H

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x
F

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S

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M

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D

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V

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 (≠ A125), N133 (≠ G126), A138 (≠ S131), S150 (≠ W143), G151 (≠ A144), H156 (≠ K149), F166 (≠ T159), M169 (= M162)

7ok1A Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 3 (see paper)
31% identity, 100% coverage: 1:170/170 of query aligns to 13:177/258 of 7ok1A

query
sites
7ok1A

S

S

V

A

T

R

I

L

A

A

P

A

G

D

V

V

S

Q

I

V

G

G

E

P

G

W

V

S

I

I

I

V

E

G

D

A

D

E

V

V

Q

E

I

I

G

G

E

E

N

G

T

T

R

V

I

I

E

G

T

P

G

H

A

V

L

V

I

L

G

K

R

G

G

P

S

T

R

K

I

I

G

G

A

K

R

H

S

N

R

R

I

I

G

Y

A

Q

R

F

T

S

V

S

I

V

G

G

N

E

E

D

G

-

L

-

G

-

S

-

F

-

E

-

T

T

A

P

D
|
D

G

-

Q

-

L
|
L

R

K

N

Y

V

K

R

G

H

E

L

P

G

T

N

R

V

L

R

V

I

I

G

G

D

D

D

H

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N

E

V

I

I

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R

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E

L

G

C

V

A

T

V

I

G

H

R

R

G

G

T

T

I

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D

Q

D

D

-

R

-

A

-

E

T

T

V

T

I

I

G

G

N

D

N

H

T

N

H

L

I

I

G

M

P

A

Q

Y

V

A

N
x
H

I

I

G

G

H

H

N

D

S

S

V

V

I

I

G

G

M

N

R

H

C

C

Q

I

I

L

A
x
V

G
x
N

R

N

S

T

H

A

L

L

S
x
A

G

G

S

H

V

V

V

H

I

V

E

D

D

D

E

W

A

A

K

I

L

L

W
x
S

A
x
G

N

Y

C

T

T

L

L

V

K

H

D
x
Q

G

Y

V

C

R

R

I

I

G

G

A

A

G

H

A

S

T

F

V

S

G

G

M
|
M

G

G

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L

A

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I

N

G

H

K

D

D

V

V

binding ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide: D70 (= D64), L71 (= L67), H118 (≠ N111), V132 (≠ A125), N133 (≠ G126), A138 (≠ S131), S150 (≠ W143), G151 (≠ A144), Q157 (≠ D150), M169 (= M162)

7ojyA Crystal structure of pseudomonas aeruginosa lpxa in complex with compound 6 (see paper)
31% identity, 100% coverage: 1:170/170 of query aligns to 13:177/258 of 7ojyA

query
sites
7ojyA

S

S

V

A

T

R

I

L

A

A

P

A

G

D

V

V

S

Q

I

V

G

G

E

P

G

W

V

S

I

I

I

V

E

G

D

A

D

E

V

V

Q

E

I

I

G

G

E

E

N

G

T

T

R

V

I

I

E

G

T

P

G

H

A

V

L

V

I

L

G

K

R

G

G

P

S

T

R

K

I

I

G

G

A

K

R

H

S

N

R

R

I

I

G

Y

A

Q

R

F

T

S

V

S

I

V

G

G

N

E

E

D

G

-

L

-

G

-

S

-

F

-

E

-

T

T

A

P

D

D

G

-

Q

-

L

L

R

K

N

Y

V

K

R

G

H

E

L

P

G

T

N

R

V

L

R

V

I

I

G

G

D

D

D

H

V

N

E

V

I

I

G

R

A

E

L

G

C

V

A

T

V

I

G

H

R

R

G

G

T

T

I

V

D

Q

D

D

-

R

-

A

-

E

T

T

V

T

I

I

G

G

N

D

N

H

T

N

H

L

I

I

G

M

P

A

Q

Y

V

A

N
x
H

I

I

G

G

H

H

N

D

S

S

V

V

I

I

G

G

M

N

R

H

C

C

Q

I

I

L

A
x
V

G
x
N

R

N

S

T

H

A

L

L

S
x
A

G

G

S

H

V

V

V

H

I

V

E

D

D

D

E

W

A

A

K

I

L

L

W
x
S

A
x
G

N

Y

C

T

T

L

L

V

K

H

D
x
Q

G

Y

V

C

R

R

I

I

G

G

A

A

G

H

A

S

T

F

V

S

G

G

M
|
M

G

G

A

S

L

A

V

I

N

G

H

K

D

D

V

V

binding 2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]-~{N}-[(5-oxidanyl-1,3,4-oxadiazol-2-yl)methyl]ethanamide: H118 (≠ N111), V132 (≠ A125), N133 (≠ G126), A138 (≠ S131), S150 (≠ W143), G151 (≠ A144), Q157 (≠ D150), M169 (= M162)

Query Sequence

>HSERO_RS21030 FitnessBrowser__HerbieS:HSERO_RS21030
SVTIAPGVSIGEGVIIEDDVQIGENTRIETGALIGRGSRIGARSRIGARTVIGNEGLGSF
ETADGQLRNVRHLGNVRIGDDVEIGALCAVGRGTIDDTVIGNNTHIGPQVNIGHNSVIGM
RCQIAGRSHLSGSVVIEDEAKLWANCTLKDGVRIGAGATVGMGALVNHDV

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