SitesBLAST

6aumA Crystal structure of human soluble epoxide hydrolase complexed with trans-4-[4-(3-trifluoromethoxyphenyl-l-ureido)-cyclohexyloxy]-benzoic acid. (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/547 of 6aumA

query
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6aumA

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active site: F266 (= F28), D334 (≠ S97), W335 (≠ L98)
binding 4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid: F266 (= F28), D334 (≠ S97), W335 (≠ L98), M338 (≠ W101)

Sites not aligning to the query:

active site: 377, 382, 465, 495, 523
binding 4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid: 362, 373, 374, 380, 382, 383, 386, 407, 418, 427, 465, 498, 502, 523
binding magnesium ion: 8, 10, 184

5am5A Ligand complex structure of soluble epoxide hydrolase (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/546 of 5am5A

query
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5am5A

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active site: F266 (= F28), H333 (≠ Y96), D334 (≠ S97), W335 (≠ L98)
binding 5-cyclohexyl-3-propyl-1H-pyridin-2-one: F266 (= F28), W335 (≠ L98), Y342 (≠ G105)

Sites not aligning to the query:

active site: 358, 377, 382, 465, 495, 523
binding 5-cyclohexyl-3-propyl-1H-pyridin-2-one: 362, 370, 374, 380, 382, 383, 414, 418, 467, 468, 471, 495, 496, 497, 502, 523

5am4A Ligand complex structure of soluble epoxide hydrolase (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/546 of 5am4A

query
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active site: F266 (= F28), H333 (≠ Y96), D334 (≠ S97), W335 (≠ L98)
binding 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one: F266 (= F28)

Sites not aligning to the query:

active site: 358, 377, 382, 465, 495, 523
binding 5-cyclohexylspiro[1H-indole-3,4'-oxane]-2-one: 382, 386, 407, 415, 416, 418, 427, 495, 496, 497, 523, 524

5am1A Ligand complex structure of soluble epoxide hydrolase (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/546 of 5am1A

query
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5am1A

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active site: F266 (= F28), H333 (≠ Y96), D334 (≠ S97), W335 (≠ L98)
binding 4-oxidanylidene-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide: F266 (= F28), D334 (≠ S97), W335 (≠ L98), M338 (≠ W101)

Sites not aligning to the query:

active site: 358, 377, 382, 465, 495, 523
binding 4-oxidanylidene-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide: 360, 362, 382, 383, 386, 407, 465, 498, 502, 523

5am0A Ligand complex structure of soluble epoxide hydrolase (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/546 of 5am0A

query
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5am0A

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active site: F266 (= F28), H333 (≠ Y96), D334 (≠ S97), W335 (≠ L98)
binding 7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one: F266 (= F28)

Sites not aligning to the query:

active site: 358, 377, 382, 465, 495, 523
binding 7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one: 382, 386, 407, 418, 495, 496, 497, 498, 523, 524

5alzA Ligand complex structure of soluble epoxide hydrolase (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/546 of 5alzA

query
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5alzA

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active site: F266 (= F28), H333 (≠ Y96), D334 (≠ S97), W335 (≠ L98)
binding 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea: F266 (= F28), D334 (≠ S97), W335 (≠ L98), M338 (≠ W101)

Sites not aligning to the query:

active site: 358, 377, 382, 465, 495, 523
binding 1-(1-adamantyl)-3-(1-methylsulfonylpiperidin-4-yl)urea: 380, 382, 383, 386, 407, 418, 465, 523, 524

5alyA Ligand complex structure of soluble epoxide hydrolase (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/546 of 5alyA

query
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5alyA

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active site: F266 (= F28), H333 (≠ Y96), D334 (≠ S97), W335 (≠ L98)
binding 5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile: F266 (= F28)

Sites not aligning to the query:

active site: 358, 377, 382, 465, 495, 523
binding 5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile: 382, 386, 396, 407, 418, 495, 496, 497, 498, 523, 524

5alxA Ligand complex structure of soluble epoxide hydrolase (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/546 of 5alxA

query
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active site: F266 (= F28), H333 (≠ Y96), D334 (≠ S97), W335 (≠ L98)
binding 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide: F266 (= F28)

Sites not aligning to the query:

active site: 358, 377, 382, 465, 495, 523
binding 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide: 382, 406, 407, 409, 414, 415, 416, 418, 495, 497, 523, 524

5alwA Ligand complex structure of soluble epoxide hydrolase (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/546 of 5alwA

query
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5alwA

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active site: F266 (= F28), H333 (≠ Y96), D334 (≠ S97), W335 (≠ L98)
binding 5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one: F266 (= F28)

Sites not aligning to the query:

active site: 358, 377, 382, 465, 495, 523
binding 5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one: 382, 386, 407, 418, 427, 495, 496, 497, 523, 524

5aluA Ligand complex structure of soluble epoxide hydrolase (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/546 of 5aluA

query
sites
5aluA

A

T

I

V

S

K

D

P

Q

R

R

V

K

R

I

L

H

H

Y

F

Q

V

V

E

E

L

G

G

E

S

G

G

P

P

P

A

L

V

L

C

L

L

H

C

H

H

G

G

F
|
F

T

P

S

E

S

S

L

W

E

Y

A

S

W

W

R

R

F

Y

F

-

G

Q

F

I

T

P

D

A

V

L

L

A

R

Q

Q

A

H

G

Y

Y

R

R

V

V

I

L

S

A

F

M

D

D

A

M

L

K

G

G

H

Y

G

G

Q

E

S

S

D

S

K

A

P

P

H

P

D

E

S

I

A

E

Y

Y

S

C

Q

M

H

E

Q

V

R

L

C

C

R

K

D

E

A

M

L

V

A

T

V

F

L

L

D

D

A

K

A

L

Q

G

V

L

E

S

R

Q

T

A

H

V

F

F

F

I

G

G

Y
x
H

S
x
D

L
x
W

G

G

W
x
M

V

L

G

V

Y

W

G

Y

L

M

V

A

R

L

Q

F

A

Y

P

P

E

E

R

R

L

V

R

R

S

A

L

V

active site: F266 (= F28), H333 (≠ Y96), D334 (≠ S97), W335 (≠ L98)
binding 4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide: F266 (= F28), D334 (≠ S97), W335 (≠ L98), M338 (≠ W101)

Sites not aligning to the query:

active site: 358, 377, 382, 465, 495, 523
binding 4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide: 10, 19, 40, 41, 44, 49, 50, 53, 123, 125, 159, 185, 359, 362, 365, 373, 374, 380, 382, 383, 383, 407, 418, 465, 495, 497, 498, 502, 523, 524

5altA Ligand complex structure of soluble epoxide hydrolase (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/546 of 5altA

query
sites
5altA

A

T

I

V

S

K

D

P

Q

R

R

V

K

R

I

L

H

H

Y

F

Q

V

V

E

E

L

G

G

E

S

G

G

P

P

P

A

L

V

L

C

L

L

H

C

H

H

G

G

F
|
F

T

P

S

E

S

S

L

W

E

Y

A

S

W

W

R

R

F

Y

F

-

G

Q

F

I

T

P

D

A

V

L

L

A

R

Q

Q

A

H

G

Y

Y

R

R

V

V

I

L

S

A

F

M

D

D

A

M

L

K

G

G

H

Y

G

G

Q

E

S

S

D

S

K

A

P

P

H

P

D

E

S

I

A

E

Y

Y

S

C

Q

M

H

E

Q

V

R

L

C

C

R

K

D

E

A

M

L

V

A

T

V

F

L

L

D

D

A

K

A

L

Q

G

V

L

E

S

R

Q

T

A

H

V

F

F

F

I

G

G

Y
x
H

S
x
D

L
x
W

G

G

W
x
M

V

L

G

V

Y

W

G

Y

L

M

V

A

R

L

Q

F

A

Y

P

P

E

E

R

R

L

V

R

R

S

A

L

V

active site: F266 (= F28), H333 (≠ Y96), D334 (≠ S97), W335 (≠ L98)
binding 3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine: D334 (≠ S97), W335 (≠ L98), M338 (≠ W101)

Sites not aligning to the query:

active site: 358, 377, 382, 465, 495, 523
binding 3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine: 362, 373, 374, 380, 383, 468, 498

5alpA Ligand complex structure of soluble epoxide hydrolase (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/546 of 5alpA

query
sites
5alpA

A

T

I

V

S

K

D

P

Q

R

R

V

K

R

I

L

H

H

Y

F

Q

V

V

E

E

L

G

G

E

S

G

G

P

P

P

A

L

V

L

C

L

L

H

C

H

H

G

G

F
|
F

T

P

S

E

S

S

L

W

E

Y

A

S

W

W

R

R

F

Y

F

-

G

Q

F

I

T

P

D

A

V

L

L

A

R

Q

Q

A

H

G

Y

Y

R

R

V

V

I

L

S

A

F

M

D

D

A

M

L

K

G

G

H

Y

G

G

Q

E

S

S

D

S

K

A

P

P

H

P

D

E

S

I

A

E

Y

Y

S

C

Q

M

H

E

Q

V

R

L

C

C

R

K

D

E

A

M

L

V

A

T

V

F

L

L

D

D

A

K

A

L

Q

G

V

L

E

S

R

Q

T

A

H

V

F

F

F

I

G

G

Y
x
H

S
x
D

L
x
W

G

G

W

M

V

L

G

V

Y

W

G

Y

L

M

V

A

R

L

Q

F

A

Y

P

P

E

E

R

R

L

V

R

R

S

A

L

V

active site: F266 (= F28), H333 (≠ Y96), D334 (≠ S97), W335 (≠ L98)
binding n-(4-nitrophenyl)-2-phenyl-thiomorpholine-4-carboxamide: F266 (= F28), D334 (≠ S97), W335 (≠ L98)

Sites not aligning to the query:

active site: 358, 377, 382, 465, 495, 523
binding n-(4-nitrophenyl)-2-phenyl-thiomorpholine-4-carboxamide: 359, 374, 380, 382, 383, 407, 418, 465, 498, 523, 524

5aloA Ligand complex structure of soluble epoxide hydrolase (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/546 of 5aloA

query
sites
5aloA

A

T

I

V

S

K

D

P

Q

R

R

V

K

R

I

L

H

H

Y

F

Q

V

V

E

E

L

G

G

E

S

G

G

P

P

P

A

L

V

L

C

L

L

H

C

H

H

G

G

F
|
F

T

P

S

E

S

S

L

W

E

Y

A

S

W

W

R

R

F

Y

F

-

G

Q

F

I

T

P

D

A

V

L

L

A

R

Q

Q

A

H

G

Y

Y

R

R

V

V

I

L

S

A

F

M

D

D

A

M

L

K

G

G

H

Y

G

G

Q

E

S

S

D

S

K

A

P

P

H

P

D

E

S

I

A

E

Y

Y

S

C

Q

M

H

E

Q

V

R

L

C

C

R

K

D

E

A

M

L

V

A

T

V

F

L

L

D

D

A

K

A

L

Q

G

V

L

E

S

R

Q

T

A

H

V

F

F

F

I

G

G

Y
x
H

S
x
D

L
x
W

G

G

W

M

V

L

G

V

Y

W

G

Y

L

M

V

A

R

L

Q

F

A

Y

P

P

E

E

R

R

L

V

R

R

S

A

L

V

active site: F266 (= F28), H333 (≠ Y96), D334 (≠ S97), W335 (≠ L98)
binding 3-benzyl-3-methyl-5-(1-methylpyrazol-4-yl)indolin-2-one: W335 (≠ L98)

Sites not aligning to the query:

active site: 358, 377, 382, 465, 495, 523
binding 3-benzyl-3-methyl-5-(1-methylpyrazol-4-yl)indolin-2-one: 364, 374, 380, 383, 467, 468, 471, 472

5alnA Ligand complex structure of soluble epoxide hydrolase (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/546 of 5alnA

query
sites
5alnA

A

T

I

V

S

K

D

P

Q

R

R

V

K

R

I

L

H

H

Y

F

Q

V

V

E

E

L

G

G

E

S

G

G

P

P

P

A

L

V

L

C

L

L

H

C

H

H

G

G

F
|
F

T

P

S

E

S

S

L

W

E

Y

A

S

W

W

R

R

F

Y

F

-

G

Q

F

I

T

P

D

A

V

L

L

A

R

Q

Q

A

H

G

Y

Y

R

R

V

V

I

L

S

A

F

M

D

D

A

M

L

K

G

G

H

Y

G

G

Q

E

S

S

D

S

K

A

P

P

H

P

D

E

S

I

A

E

Y

Y

S

C

Q

M

H

E

Q

V

R

L

C

C

R

K

D

E

A

M

L

V

A

T

V

F

L

L

D

D

A

K

A

L

Q

G

V

L

E

S

R

Q

T

A

H

V

F

F

F

I

G

G

Y
x
H

S
x
D

L
x
W

G

G

W

M

V

L

G

V

Y

W

G

Y

L

M

V

A

R

L

Q

F

A

Y

P

P

E

E

R

R

L

V

R

R

S

A

L

V

active site: F266 (= F28), H333 (≠ Y96), D334 (≠ S97), W335 (≠ L98)
binding 5-(4-fluorophenyl)-3,3-dimethyl-indolin-2-one: F266 (= F28)

Sites not aligning to the query:

active site: 358, 377, 382, 465, 495, 523
binding 5-(4-fluorophenyl)-3,3-dimethyl-indolin-2-one: 382, 386, 407, 418, 427, 495, 496, 497, 523, 524

5almA Ligand complex structure of soluble epoxide hydrolase (see paper)
27% identity, 45% coverage: 4:117/251 of query aligns to 242:354/546 of 5almA

query
sites
5almA

A

T

I

V

S

K

D

P

Q

R

R

V

K

R

I

L

H

H

Y

F

Q

V

V

E

E

L

G

G

E

S

G

G

P

P

P

A

L

V

L

C

L

L

H

C

H

H

G

G

F
|
F

T

P

S

E

S

S

L

W

E

Y

A

S

W

W

R

R

F

Y

F

-

G

Q

F

I

T

P

D

A

V

L

L

A

R

Q

Q

A

H

G

Y

Y

R

R

V

V

I

L

S

A

F

M

D

D

A

M

L

K

G

G

H

Y

G

G

Q

E

S

S

D

S

K

A

P

P

H

P

D

E

S

I

A

E

Y

Y

S

C

Q

M

H

E

Q

V

R

L

C

C

R

K

D

E

A

M

L

V

A

T

V

F

L

L

D

D

A

K

A

L

Q

G

V

L

E

S

R

Q

T

A

H

V

F

F

F

I

G

G

Y
x
H

S
x
D

L
x
W

G

G

W
x
M

V

L

G

V

Y

W

G

Y

L

M

V

A

R

L

Q

F

A

Y

P

P

E

E

R

R

L

V

R

R

S

A

L

V

active site: F266 (= F28), H333 (≠ Y96), D334 (≠ S97), W335 (≠ L98)
binding (3R)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine: F266 (= F28), D334 (≠ S97), W335 (≠ L98), M338 (≠ W101)

Sites not aligning to the query:

active site: 358, 377, 382, 465, 495, 523
binding (3R)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine: 380, 382, 383, 465, 497, 498, 523

Query Sequence

>HSERO_RS08570 HSERO_RS08570 esterase
MPFAISDQRKIHYQVEGEGPPLLLHHGFTSSLEAWRFFGFTDVLRQHYRVISFDALGHGQ
SDKPHDSAAYSQHQRCRDALAVLDAAQVERTHFFGYSLGGWVGYGLVRQAPERLRSLILG
AAHPYEDRSWEVFRGIDGTDPEAFIAAFEDLLDEAISPQVKMLIRGNDLVALAAAAQQAR
PSQEELLARMDLPCLFFCGDADARHTAVARTAARLARAEFVSLPGVTHFGGLMQSALVLP
PVLDFLGRLPG

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