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)
28% identity, 98% coverage: 3:266/270 of query aligns to 4:270/272 of P22862

query
sites
P22862

F

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W29 (≠ Y28) binding acetate
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 acetate; 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.
T123 (≠ V121) mutation to P: Does not affect esterase and perhydrolase activities.
F228 (≠ P226) mutation to I: 3-fold increase in esterase activity. No change in perhydrolase activity.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

8pi1B Bicyclic incypro pseudomonas fluorescens esterase (see paper)
27% identity, 98% coverage: 3:266/270 of query aligns to 3:269/276 of 8pi1B

query
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8pi1B

F

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binding N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide: Q10 (≠ L10)

Sites not aligning to the query:

binding N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide: 2

3hi4A Switching catalysis from hydrolysis to perhydrolysis in p. Fluorescens esterase (see paper)
27% identity, 98% coverage: 3:266/270 of query aligns to 3:269/271 of 3hi4A

query
sites
3hi4A

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active site: W28 (≠ Y28), S94 (= S94), M95 (≠ V95), G119 (≠ D118), D222 (= D221), H251 (= H248)
binding acetate ion: W28 (≠ Y28), S94 (= S94), M95 (≠ V95), F198 (= F196)

3heaA The l29p/l124i mutation of pseudomonas fluorescens esterase (see paper)
27% identity, 98% coverage: 3:266/270 of query aligns to 3:269/271 of 3heaA

query
sites
3heaA

F

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active site: W28 (≠ Y28), S94 (= S94), M95 (≠ V95), L118 (≠ M117), G119 (≠ D118), D222 (= D221), H251 (= H248)
binding ethyl acetate: G27 (≠ S27), W28 (≠ Y28), S94 (= S94), M95 (≠ V95), H251 (= H248)

7p4kA Soluble epoxide hydrolase in complex with fl217 (see paper)
29% identity, 51% coverage: 11:149/270 of query aligns to 22:163/313 of 7p4kA

query
sites
7p4kA

L

L

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Q

E

V

M

L

V

A

T

L

F

L

L

D

D

H

K

L

L

D

G

I

L

D

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

V

W

R

Y

L

M

A

A

L

L

S

F

A

Y

P

P

Q

E

R

R

L

V

N

R

G

A

L

V

V

A

L

S

M

L

D

N

T

T

-
x
P

Y

F

V

I

G

P

V

A

E

N

P

P

E

N

L

M

T

S

R

P

Q

L

Y

E

Y

S

F

F

S

D

L
x
Y

F

Q

K

L

Q

Y

I

F

E

Q

D

E

S

P

G

G

V

V

I

A

S

E

P

A

Q

E

L

L

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

8zblA Bifunctional epoxide hydrolase 2 (see paper)
31% identity, 44% coverage: 11:128/270 of query aligns to 249:369/546 of 8zblA

query
sites
8zblA

L

L

H

H

Y

F

V

V

D

E

Q

L

G

G

T

S

G

G

P

P

V

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

V

P

A

A

L

L

S

A

Q

Q

H

A

-

G

H

Y

R

R

V

V

I

L

A

A

V

M

D

D

L

M

W

K

G

G

H

Y

G

G

E

E

S

S

G

S

P

A

L

P

P

P

E

E

-

I

G

E

M

E

T

Y

S

C

L

M

D

E

D

V

Q

L

A

C

R

K

Q

E

V

M

L

V

A

T

L

F

L

L

D

D

H

K

L

L

D

G

I

L

D

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

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W

R

Y

L

M

A

A

L

L

S

F

A

Y

P

P

Q

E

R

R

L

V

N

R

G

A

L

V

V

A

L

S

M

L

D

N

T

T

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P

Y

F

V

I

G

P

V

A

E

N

P

P

E

N

L

M

T

S

binding 1-[[(2~{S},4~{a}~{S},6~{a}~{R},6~{a}~{S},6~{b}~{R},8~{a}~{R},10~{S},12~{a}~{S},14~{b}~{S})-10-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,4~{a},6~{a},6~{b},9,9,12~{a}-heptamethyl-13-oxidanylidene-3,4,5,6,6~{a},7,8,8~{a},10,11,12,14~{b}-dodecahydro-1~{H}-picen-2-yl]methyl]-3-(oxan-4-ylmethyl)urea: F266 (≠ Y28), D334 (≠ S94), W335 (≠ V95), M338 (= M98)

Sites not aligning to the query:

8qn0A Soluble epoxide hydrolase in complex with rk3 (see paper)
31% identity, 44% coverage: 11:128/270 of query aligns to 25:145/322 of 8qn0A

query
sites
8qn0A

L

L

H

H

Y

F

V

V

D

E

Q

L

G

G

T

S

G

G

P

P

V

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

V

P

A

A

L

L

S

A

Q

Q

H

A

-

G

H

Y

R

R

V

V

I

L

A

A

V

M

D

D

L

M

W

K

G

G

H

Y

G

G

E

E

S

S

G

S

P

A

L

P

P

P

E

E

-

I

G

E

M

E

T

Y

S

C

L

M

D

E

D

V

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L

A

C

R

K

Q

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V

M

L

V

A

T

L

F

L

L

D

D

H

K

L

L

D

G

I

L

D

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

V

W

R

Y

L

M

A

A

L

L

S

F

A

Y

P

P

Q

E

R

R

L

V

N

R

G

A

L

V

V

A

L

S

M

L

D

N

T

T

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P

Y

F

V

I

G

P

V

A

E

N

P

P

E

N

L

M

T

S

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

8qzdA Soluble epoxide hydrolase in complex with epoxykinin (see paper)
31% identity, 44% coverage: 11:128/270 of query aligns to 23:143/320 of 8qzdA

query
sites
8qzdA

L

L

H

H

Y

F

V

V

D

E

Q

L

G

G

T

S

G

G

P

P

V

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

V

P

A

A

L

L

S

A

Q

Q

H

A

-

G

H

Y

R

R

V

V

I

L

A

A

V

M

D

D

L

M

W

K

G

G

H

Y

G

G

E

E

S

S

G

S

P

A

L

P

P

P

E

E

-

I

G

E

M

E

T

Y

S

C

L

M

D

E

D

V

Q

L

A

C

R

K

Q

E

V

M

L

V

A

T

L

F

L

L

D

D

H

K

L

L

D

G

I

L

D

S

R

Q

V

A

T

V

L

F

V

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G

G

L

H

S
x
D

V
x
W

G

G

M

M

W

L

G

V

V

W

R

Y

L

M

A

A

L

L

S

F

A

Y

P

P

Q

E

R

R

L

V

N

R

G

A

L

V

V

A

L

S

M

L

D

N

T

T

-

P

Y

F

V

I

G

P

V

A

E

N

P

P

E

N

L

M

T

S

binding 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide: D108 (≠ S94), W109 (≠ V95)

Sites not aligning to the query:

binding 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide: 156, 160, 181, 192, 201, 239, 271, 272, 297

8qmzA Soluble epoxide hydrolase in complex with rk4 (see paper)
31% identity, 44% coverage: 11:128/270 of query aligns to 23:143/320 of 8qmzA

query
sites
8qmzA

L

L

H

H

Y

F

V

V

D

E

Q

L

G

G

T

S

G

G

P

P

V

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

V

P

A

A

L

L

S

A

Q

Q

H

A

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G

H

Y

R

R

V

V

I

L

A

A

V

M

D

D

L

M

W

K

G

G

H

Y

G

G

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A

L

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P

P

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E

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I

G

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M

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Y

S

C

L

M

D

E

D

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L

A

C

R

K

Q

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V

M

L

V

A

T

L

F

L

L

D

D

H

K

L

L

D

G

I

L

D

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

V

W

R

Y

L

M

A

A

L

L

S

F

A

Y

P

P

Q

E

R

R

L

V

N

R

G

A

L

V

V

A

L

S

M

L

D

N

T

T

-

P

Y

F

V

I

G

P

V

A

E

N

P

P

E

N

L

M

T

S

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, 44% coverage: 11:128/270 of query aligns to 22:142/317 of 7a7gA

query
sites
7a7gA

L

L

H

H

Y

F

V

V

D

E

Q

L

G

G

T

S

G

G

P

P

V

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

V

P

A

A

L

L

S

A

Q

Q

H

A

-

G

H

Y

R

R

V

V

I

L

A

A

V

M

D

D

L

M

W

K

G

G

H

Y

G

G

E

E

S

S

G

S

P

A

L

P

P

P

E

E

-

I

G

E

M

E

T

Y

S

C

L

M

D

E

D

V

Q

L

A

C

R

K

Q

E

V

M

L

V

A

T

L

F

L

L

D

D

H

K

L

L

D

G

I

L

D

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

V

W

R

Y

L

M

A

A

L

L

S

F

A

Y

P

P

Q

E

R

R

L

V

N

R

G

A

L

V

V

A

L

S

M

L

D

N

T

T

-

P

Y

F

V

I

G

P

V

A

E

N

P

P

E

N

L

M

T

S

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

>AO353_19350 FitnessBrowser__pseudo3_N2E3:AO353_19350
MPFATIDGQLLHYVDQGTGPVVLLAGSYLWDQAMWAPQIVALSQHHRVIAVDLWGHGESG
PLPEGMTSLDDQARQVLALLDHLDIDRVTLVGLSVGGMWGVRLALSAPQRLNGLVLMDTY
VGVEPELTRQYYFSLFKQIEDSGVISPQLLDIVVPIFFRPGIDPQSALYQDFRARLAALP
PERLRESIVPMGRITFGRDDLLPRLGELNPETTLLMCGDQDKPRPPLETREMAELIGCPY
LLVPEAGHISNLENPEFVTKALLKFLAERT

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