SitesBLAST

P22862 Arylesterase; Aryl-ester hydrolase; Carboxylic acid perhydrolase; PFE; Putative bromoperoxidase; EC 3.1.1.2; EC 1.-.-.- from Pseudomonas fluorescens (see 5 papers)
40% identity, 43% coverage: 3:117/270 of query aligns to 4:119/272 of P22862

query
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P22862

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W29 (≠ Y28) binding
L30 (= L29) mutation to I: 125-fold increase in catalytic efficiency for perhydrolase activity with acetic acid as substrate. 2-fold decrease in catalytic efficiency for perhydrolase activity with ethyl acetate as substrate. 1.5-fold increase in catalytic efficiency for hydrolase activity with ethyl acetate as substrate. 2.4-fold increase in kcat for hydrolysis of peracetic acid.; mutation to P: Shows faster acetyl-enzyme formation. Tenfold more efficient at hydrolysis than perhydrolysis with methyl acetate as substrate. 3-fold decrease in catalytic efficiency for hydrolase activity with methyl acetate as substrate. 15-fold decrease in catalytic efficiency for perhydrolase activity with methyl acetate as substrate (PubMed:22618813). 100-fold decrease in hydrolase activity with 4-nitrophenyl acetate as substrate. 28-fold increase in perhydrolase activity with acetate as substrate (PubMed:15803517). 100-fold increase in catalytic efficiency with acetic acid as substrate. 50-fold increase in catalytic efficiency with acetic acid as substrate; when associated with H-58 (PubMed:20112920).
F58 (≠ H56) mutation to H: 50-fold increase in catalytic efficiency with acetic acid as substrate; when associated with P-30.
Y70 (≠ L69) mutation to M: Does not affect esterase and perhydrolase activities.
M96 (≠ V95) binding ; mutation to T: 4-fold decrease in esterase activity. Loss of perhydrolase activity.
D100 (≠ W99) mutation to E: Small decrease in esterase and perhydrolase activities.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
123 T→P: Does not affect esterase and perhydrolase activities.
228 F→I: 3-fold increase in esterase activity. No change in perhydrolase activity.

3hi4A Switching catalysis from hydrolysis to perhydrolysis in p. Fluorescens esterase (see paper)
39% identity, 43% coverage: 3:117/270 of query aligns to 3:118/271 of 3hi4A

query
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3hi4A

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active site: W28 (≠ Y28), S94 (= S94), M95 (≠ V95)
binding acetate ion: W28 (≠ Y28), S94 (= S94), M95 (≠ V95)

Sites not aligning to the query:

active site: 119, 222, 251
binding acetate ion: 198

3heaA The l29p/l124i mutation of pseudomonas fluorescens esterase (see paper)
39% identity, 43% coverage: 3:117/270 of query aligns to 3:118/271 of 3heaA

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3heaA

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active site: W28 (≠ Y28), S94 (= S94), M95 (≠ V95), L118 (≠ M117)
binding ethyl acetate: G27 (≠ S27), W28 (≠ Y28), S94 (= S94), M95 (≠ V95)

Sites not aligning to the query:

active site: 119, 222, 251
binding ethyl acetate: 251

5aljA Ligand complex structure of soluble epoxide hydrolase (see paper)
29% identity, 53% coverage: 3:144/270 of query aligns to 227:372/523 of 5aljA

query
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5aljA

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active site: F253 (≠ Y28), H320 (≠ L93), D321 (≠ S94), W322 (≠ V95), N345 (≠ D118), Y363 (≠ L135)
binding 2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol: F253 (≠ Y28), D321 (≠ S94), W322 (≠ V95), F361 (= F133), Q364 (≠ L136)

Sites not aligning to the query:

active site: 442, 472, 500
binding 2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol: 442, 445

7p4kA Soluble epoxide hydrolase in complex with fl217 (see paper)
29% identity, 53% coverage: 3:144/270 of query aligns to 13:158/313 of 7p4kA

query
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7p4kA

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binding ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide: F39 (≠ Y28), D107 (≠ S94), W108 (≠ V95), M111 (= M98), P133 (vs. gap), Y149 (≠ L135)

Sites not aligning to the query:

binding ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide: 185, 232, 264, 269, 290

5alrA Ligand complex structure of soluble epoxide hydrolase (see paper)
30% identity, 53% coverage: 3:144/270 of query aligns to 240:387/542 of 5alrA

query
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5alrA

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active site: F266 (≠ Y28), H333 (≠ L93), D334 (≠ S94), W335 (≠ V95), N358 (≠ D118), Y378 (≠ L135)
binding n-[4-(trifluoromethylsulfanyl)phenyl]quinazolin-4-amine: F266 (≠ Y28), D334 (≠ S94), W335 (≠ V95), Y378 (≠ L135), Q379 (≠ L136), F382 (≠ I139)

Sites not aligning to the query:

active site: 461, 491, 519
binding n-[4-(trifluoromethylsulfanyl)phenyl]quinazolin-4-amine: 403, 461, 519

8qn0A Soluble epoxide hydrolase in complex with rk3 (see paper)
31% identity, 43% coverage: 3:119/270 of query aligns to 16:135/322 of 8qn0A

query
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8qn0A

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binding (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide: D110 (≠ S94), W111 (≠ V95)

Sites not aligning to the query:

binding (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide: 158, 194, 241, 273, 274, 299

6yl4A Soluble epoxide hydrolase in complex with 3-((r)-3-(1-hydroxyureido) but-1-yn-1-yl)-n-((s)-3-phenyl-3-(4-trifluoromethoxy)phenyl)propyl) benzamide (see paper)
31% identity, 43% coverage: 3:119/270 of query aligns to 13:132/319 of 6yl4A

query
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6yl4A

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A

L

S

M

L

D

N

T

T

active site: F39 (≠ Y28), D107 (≠ S94), W108 (≠ V95)
binding 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide: D107 (≠ S94), W108 (≠ V95), M111 (= M98)

Sites not aligning to the query:

active site: 268, 296
binding 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide: 147, 155, 156, 180, 191, 238, 241, 269, 270, 296, 297

6hgxA Soluble epoxide hydrolase in complex with 1-(4-((4-(tert-butyl) morpholin-2-yl)methoxy)phenyl)-3-cyclohexylurea (see paper)
31% identity, 43% coverage: 3:119/270 of query aligns to 13:132/319 of 6hgxA

query
sites
6hgxA

F

Y

V

V

T

T

I

V

D

K

G

P

Q

R

A

V

-

R

L

L

H

H

Y

F

I

V

D

E

Q

L

G

G

T

S

G

G

P

P

A

A

V

V

L

C

L

L

A

C

G

H

S

G

Y
x
F

L

P

W

E

D

S

Q

W

A

Y

M

S

W

W

A

R

P

Y

Q

Q

I

I

A

P

A

A

L

L

S

A

Q

Q

Q

A

-

G

Y

Y

R

R

V

V

I

L

A

A

L

M

D

D

L

M

W

K

G

G

H

Y

G

G

Q

E

-

S

S

S

G

A

P

P

L

P

P

E

V

I

G

E

T

E

T

Y

S

C

L

M

D

E

D

V

L

L

A

C

R

K

Q

E

A

M

L

V

V

T

L

F

L

L

D

D

H

K

L

L

D

G

I

L

E

S

R

Q

V

A

T

V

L

F

V

I

G

G

L

H

S
x
D

V
x
W

G

G

M
|
M

W

L

G

V

A

W

R

Y

L

M

A

A

L

L

S

F

A

Y

A

P

Q

E

R

R

I

V

N

R

G

A

L

V

V

A

L

S

M

L

D

N

T

T

active site: F39 (≠ Y28), D107 (≠ S94), W108 (≠ V95)
binding 1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea: D107 (≠ S94), W108 (≠ V95), M111 (= M98)

Sites not aligning to the query:

active site: 268, 296
binding 1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea: 147, 155, 156, 191, 238, 241
binding magnesium ion: 278, 281

6hgwA Soluble epoxide hydrolase in complex with 2-(4-fluorophenyl)-n-(4- phenoxybenzyl)ethanamine
31% identity, 43% coverage: 3:119/270 of query aligns to 13:132/319 of 6hgwA

query
sites
6hgwA

F

Y

V

V

T

T

I

V

D

K

G

P

Q

R

A

V

-

R

L

L

H

H

Y

F

I

V

D

E

Q

L

G

G

T

S

G

G

P

P

A

A

V

V

L

C

L

L

A

C

G

H

S

G

Y
x
F

L

P

W

E

D

S

Q

W

A

Y

M

S

W

W

A

R

P

Y

Q

Q

I

I

A

P

A

A

L

L

S

A

Q

Q

Q

A

-

G

Y

Y

R

R

V

V

I

L

A

A

L

M

D

D

L

M

W

K

G

G

H

Y

G

G

Q

E

-

S

S

S

G

A

P

P

L

P

P

E

V

I

G

E

T

E

T

Y

S

C

L

M

D

E

D

V

L

L

A

C

R

K

Q

E

A

M

L

V

V

T

L

F

L

L

D

D

H

K

L

L

D

G

I

L

E

S

R

Q

V

A

T

V

L

F

V

I

G

G

L

H

S
x
D

V
x
W

G

G

M

M

W

L

G

V

A

W

R

Y

L

M

A

A

L

L

S

F

A

Y

A

P

Q

E

R

R

I

V

N

R

G

A

L

V

V

A

L

S

M

L

D

N

T

T

active site: F39 (≠ Y28), D107 (≠ S94), W108 (≠ V95)
binding 2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine: D107 (≠ S94), W108 (≠ V95)

Sites not aligning to the query:

active site: 268, 296
binding 2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine: 147, 153, 155, 156, 191, 238, 297

6hgvA Soluble epoxide hydrolase in complex with talinolol (see paper)
31% identity, 43% coverage: 3:119/270 of query aligns to 13:132/319 of 6hgvA

query
sites
6hgvA

F

Y

V

V

T

T

I

V

D

K

G

P

Q

R

A

V

-

R

L

L

H

H

Y

F

I

V

D

E

Q

L

G

G

T

S

G

G

P

P

A

A

V

V

L

C

L

L

A

C

G

H

S

G

Y
x
F

L

P

W

E

D

S

Q

W

A

Y

M

S

W

W

A

R

P

Y

Q

Q

I

I

A

P

A

A

L

L

S

A

Q

Q

Q

A

-

G

Y

Y

R

R

V

V

I

L

A

A

L

M

D

D

L

M

W

K

G

G

H

Y

G

G

Q

E

-

S

S

S

G

A

P

P

L

P

P

E

V

I

G

E

T

E

T

Y

S

C

L

M

D

E

D

V

L

L

A

C

R

K

Q

E

A

M

L

V

V

T

L

F

L

L

D

D

H

K

L

L

D

G

I

L

E

S

R

Q

V

A

T

V

L

F

V

I

G

G

L

H

S
x
D

V
x
W

G

G

M
|
M

W

L

G

V

A

W

R

Y

L

M

A

A

L

L

S

F

A

Y

A

P

Q

E

R

R

I

V

N

R

G

A

L

V

V

A

L

S

M

L

D

N

T

T

active site: F39 (≠ Y28), D107 (≠ S94), W108 (≠ V95)
binding R-Talinolol: D107 (≠ S94), W108 (≠ V95), M111 (= M98)

Sites not aligning to the query:

active site: 268, 296
binding R-Talinolol: 153, 155, 156, 191, 238, 241, 296
binding magnesium ion: 278, 281

6fr2A Soluble epoxide hydrolase in complex with lk864 (see paper)
31% identity, 43% coverage: 3:119/270 of query aligns to 13:132/319 of 6fr2A

query
sites
6fr2A

F

Y

V

V

T

T

I

V

D

K

G

P

Q

R

A

V

-

R

L

L

H

H

Y

F

I

V

D

E

Q

L

G

G

T

S

G

G

P

P

A

A

V

V

L

C

L

L

A

C

G

H

S

G

Y
x
F

L

P

W

E

D

S

Q

W

A

Y

M

S

W

W

A

R

P

Y

Q

Q

I

I

A

P

A

A

L

L

S

A

Q

Q

Q

A

-

G

Y

Y

R

R

V

V

I

L

A

A

L

M

D

D

L

M

W

K

G

G

H

Y

G

G

Q

E

-

S

S

S

G

A

P

P

L

P

P

E

V

I

G

E

T

E

T

Y

S

C

L

M

D

E

D

V

L

L

A

C

R

K

Q

E

A

M

L

V

V

T

L

F

L

L

D

D

H

K

L

L

D

G

I

L

E

S

R

Q

V

A

T

V

L

F

V

I

G

G

L

H

S
x
D

V
x
W

G

G

M
|
M

W

L

G

V

A

W

R

Y

L

M

A

A

L

L

S

F

A

Y

A

P

Q

E

R

R

I

V

N

R

G

A

L

V

V

A

L

S

M

L

D

N

T

T

active site: F39 (≠ Y28), D107 (≠ S94), W108 (≠ V95)
binding 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea: D107 (≠ S94), W108 (≠ V95), M111 (= M98)

Sites not aligning to the query:

active site: 268, 296
binding 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea: 147, 153, 155, 156, 191, 238, 270, 296
binding magnesium ion: 278, 281

8qmzA Soluble epoxide hydrolase in complex with rk4 (see paper)
31% identity, 43% coverage: 3:119/270 of query aligns to 14:133/320 of 8qmzA

query
sites
8qmzA

F

Y

V

V

T

T

I

V

D

K

G

P

Q

R

A

V

-

R

L

L

H

H

Y

F

I

V

D

E

Q

L

G

G

T

S

G

G

P

P

A

A

V

V

L

C

L

L

A

C

G

H

S

G

Y

F

L

P

W

E

D

S

Q

W

A

Y

M

S

W

W

A

R

P

Y

Q

Q

I

I

A

P

A

A

L

L

S

A

Q

Q

Q

A

-

G

Y

Y

R

R

V

V

I

L

A

A

L

M

D

D

L

M

W

K

G

G

H

Y

G

G

Q

E

-

S

S

S

G

A

P

P

L

P

P

E

V

I

G

E

T

E

T

Y

S

C

L

M

D

E

D

V

L

L

A

C

R

K

Q

E

A

M

L

V

V

T

L

F

L

L

D

D

H

K

L

L

D

G

I

L

E

S

R

Q

V

A

T

V

L

F

V

I

G

G

L

H

S
x
D

V
x
W

G

G

M
|
M

W

L

G

V

A

W

R

Y

L

M

A

A

L

L

S

F

A

Y

A

P

Q

E

R

R

I

V

N

R

G

A

L

V

V

A

L

S

M

L

D

N

T

T

binding (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide: D108 (≠ S94), W109 (≠ V95), M112 (= M98)

Sites not aligning to the query:

binding (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide: 156, 157, 192, 239, 271, 272, 297

7a7gA Soluble epoxide hydrolase in complex with tk90 (see paper)
31% identity, 43% coverage: 3:119/270 of query aligns to 13:132/317 of 7a7gA

query
sites
7a7gA

F

Y

V

V

T

T

I

V

D

K

G

P

Q

R

A

V

-

R

L

L

H

H

Y

F

I

V

D

E

Q

L

G

G

T

S

G

G

P

P

A

A

V

V

L

C

L

L

A

C

G

H

S

G

Y
x
F

L

P

W

E

D

S

Q

W

A

Y

M

S

W

W

A

R

P

Y

Q

Q

I

I

A

P

A

A

L

L

S

A

Q

Q

Q

A

-

G

Y

Y

R

R

V

V

I

L

A

A

L

M

D

D

L

M

W

K

G

G

H

Y

G

G

Q

E

-

S

S

S

G

A

P

P

L

P

P

E

V

I

G

E

T

E

T

Y

S

C

L

M

D

E

D

V

L

L

A

C

R

K

Q

E

A

M

L

V

V

T

L

F

L

L

D

D

H

K

L

L

D

G

I

L

E

S

R

Q

V

A

T

V

L

F

V

I

G

G

L

H

S
x
D

V
x
W

G

G

M
|
M

W

L

G

V

A

W

R

Y

L

M

A

A

L

L

S

F

A

Y

A

P

Q

E

R

R

I

V

N

R

G

A

L

V

V

A

L

S

M

L

D

N

T

T

binding (2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid: F39 (≠ Y28), D107 (≠ S94), W108 (≠ V95), M111 (= M98)

Sites not aligning to the query:

binding (2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid: 153, 154, 189, 236, 268, 294

Query Sequence

>PfGW456L13_2295 FitnessBrowser__pseudo13_GW456_L13:PfGW456L13_2295
MPFVTIDGQALHYIDQGTGPAVLLAGSYLWDQAMWAPQIAALSQQYRVIALDLWGHGQSG
PLPVGTTSLDDLARQALVLLDHLDIERVTLVGLSVGGMWGARLALSAAQRINGLVLMDTY
AGAEPEPTRQYYFSLLKQIEEAGVITPALLDIVVPIFFRPGIDPQSALYRDFRASLAALP
ADRLRESIAPMGRITFGRDDQLSRLGELDAATTLVMCGDQDKPRPPGEAREMAELIGCPW
VLVPEAGHISNLENPGFVTETLLAFLADRN

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