SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_043919557.1 NCBI__GCF_000877395.1:WP_043919557.1 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)

2xuaH Crystal structure of the enol-lactonase from burkholderia xenovorans lb400 (see paper)
39% identity, 96% coverage: 6:253/257 of query aligns to 4:260/261 of 2xuaH

query
sites
2xuaH

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active site: L32 (= L30), M98 (≠ I95), D214 (= D206), H241 (= H234)
binding laevulinic acid: L32 (= L30), R135 (= R132), V151 (= V148), R154 (= R151), W155 (= W152), Y183 (= Y175), A216 (= A208)

6eb3C Structural and enzymatic characterization of an esterase from a metagenomic library
28% identity, 96% coverage: 6:252/257 of query aligns to 4:257/262 of 6eb3C

query
sites
6eb3C

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binding gamma-amino-butanoic acid: L28 (= L30), S94 (= S94), M95 (≠ I95)

6eb3A Structural and enzymatic characterization of an esterase from a metagenomic library
27% identity, 96% coverage: 6:252/257 of query aligns to 4:260/265 of 6eb3A

query
sites
6eb3A

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L

binding 1,3-dihydroxypropan-2-yl butanoate: G17 (= G19), Q48 (≠ R48)

6eb3B Structural and enzymatic characterization of an esterase from a metagenomic library
30% identity, 96% coverage: 6:252/257 of query aligns to 4:263/268 of 6eb3B

query
sites
6eb3B

A

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binding 2-hydroxypropane-1,3-diyl dibutanoate: A70 (≠ G70), E102 (≠ G102), H106 (≠ K106), T195 (≠ G184), R197 (≠ D186), Q201 (≠ P190)

5h3hB Esterase (eaest) from exiguobacterium antarcticum (see paper)
25% identity, 99% coverage: 1:254/257 of query aligns to 1:268/269 of 5h3hB

query
sites
5h3hB

M

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L

A

R

G

D

A

E

D

D

L

L

L

R

T

D

P

G

T

L

S

P

G

K

L

I

R

T

L

V

P

D

A

T

L

L

C

I

V

M

A

H

G

G

D

K

R

K

D
|
D

G

Q

A

V

S

C

P

P

P

F

D

E

M

F

V

A

R

E

E

V

L

M

A

H

D

E

L

N

I

I

P

A

G

G

S

S

R

R

F

L

H

E

L

V

I

F

R

E

G

E

S

S

G

G

H
|
H

L

G

P

M

M

F

V

L

D

D

A

E

P

R

D

E

A

K

F

F

A

T

N

E

A

T

L

L

T

V

D

S

F

Y

L

V

T

K

A

S

active site: W30 (≠ L30), S96 (= S94), M97 (≠ I95), G121 (≠ N118), D220 (= D206), H248 (= H234)
binding ethaneperoxoic acid: W30 (≠ L30), S96 (= S94), M97 (≠ I95), F127 (≠ G124), H248 (= H234)

4uhfA Structural studies of a thermophilic esterase from thermogutta terrifontis (l37a mutant with butyrate bound) (see paper)
26% identity, 92% coverage: 19:255/257 of query aligns to 23:270/278 of 4uhfA

query
sites
4uhfA

G

G

N

T

G

G

P

L

P

P

I

V

L

L

M

L

A

V

N

H

S
x
G

L
x
F

G

P

T

L

D

D

V

R

R

T

L

M

W

W

D

K

G

A

I

Q

I

R

P

E

S

E

L

L

-

C

E

D

G

E

Y

F

R

R

V

V

I

I

R

V

W

P

D

D

K

L

R

R

G

G

H

F

G

G

N

E

S

S

E

Q

V

V

P

I

P

P

P

G

P

V

Y

A

K

T

M

M

G

E

T

A

L

M

V

A

S

D

D

D

A

L

E

A

A

G

V

L

L

C

D

N

A

H

L

L

S

G

I

L

K

T

A

G

A

K

V

I

V

V

V

L

G

G

-

G

C
x
L

S
|
S

I
x
M

G

G

M

Y

I

V

A

A

Q

F

G

A

L

F

A

A

V

R

K

K

R

Y

P

R

D

D

Q

R

V

L

R

A

A

G

V

L

V

I

L

L

S

C

N
x
D

T

T

A

R

V

A

K

R

M

P

G

D

T

S

A

P

Q

E

M

A

W

K

Q

E

E

N

R

R

I

R

D

R

A

V

V

A

Q

E

A

R

G

V

-

R

-

E

-

G

-

P

-

G

-

F

-

I

G

A

M

E

E

E

A

M

V

I

V

P

D

R

A

L

V

C

L

C

D
x
E

R

S

W

T

F

F

A

R

P

N

R

H

F

P

P

E

D

V

R

I

A

E

L

K

W

I

R

R

Q

Q

R

M

L

I

L

L

E

S

T

A

P

P

A

P

E

E

G

G

Y

V

A

A

G

A

C

A

A

L

A

G

L

M

A

A

-

E

-

R

-

P

-

D

G

S

A

T

D

D

L

L

T

-

P

-

T

-

S

P

G

A

L

L

R

S

L

C

P

P

A

T

L

L

C

V

V

L

A

V

G

G

D

Q

R

F

D
|
D

G

A

A

I

S

S

P

P

D

E

M

E

V

M

R

E

E

A

L

M

A

A

D

R

L

T

I

I

P

P

G

Q

S

S

R

Q

F

F

H

V

L

V

I

I

R

P

G

D

S

A

G

G

H
|
H

L
|
L

P

P

M

P

V

M

D

E

A

Q

P

P

D

E

A

R

F

V

A

T

N

Q

A

A

L

I

T

R

D

E

F

W

L

L

T

R

A

K

I

V

active site: F34 (≠ L30), L99 (≠ C93), S100 (= S94), M101 (≠ I95), D124 (≠ N118), E164 (≠ D150), D221 (= D206), H249 (= H234), L250 (= L235)
binding butanoic acid: G33 (≠ S29), F34 (≠ L30), S100 (= S94), H249 (= H234)

4uheA Structural studies of a thermophilic esterase from thermogutta terrifontis (malate bound) (see paper)
26% identity, 92% coverage: 19:255/257 of query aligns to 23:270/272 of 4uheA

query
sites
4uheA

G

G

N

T

G

G

P

L

P

P

I

V

L

L

M

L

A

V

N

H

S

G

L
x
F

G

P

T

L

D

D

V

R

R

T

L

M

W

W

D

K

G

A

I

Q

I

R

P

E

S

E

L

L

-

C

E

D

G

E

Y

F

R

R

V

V

I

I

R

V

W

P

D

D

K

L

R

R

G

G

H

F

G

G

N

E

S

S

E

Q

V

V

P

I

P

P

P

G

P

V

Y

A

K

T

M

M

G

E

T

A

L

M

V

A

S

D

D

D

A

L

E

A

A

G

V

L

L

C

D

N

A

H

L

L

S

G

I

L

K

T

A

G

A

K

V

I

V

V

V

L

G

G

-

G

C
x
L

S
|
S

I
x
M

G

G

M
x
Y

I

V

A

A

Q

F

G

A

L

F

A

A

V

R

K

K

R

Y

P

R

D

D

Q

R

V

L

R

A

A

G

V

L

V

I

L

L

S

C

N
x
D

T

T

A

R

V

A

K

R

M

P

G

D

T

S

A

P

Q

E

M

A

W

K

Q

E

E

N

R
|
R

I

R

D

R

A

V

V

A

Q

E

A

R

G

V

-

R

-

E

-

G

-

P

-

G

-

F

-

I

G

A

M

E

E

E

A

M

V

I

V

P

D

R

A

L

V

C

L

C

D
x
E

R

S

W

T

F

F

A

R

P

N

R

H

F

P

P

E

D

V

R

I

A

E

L

K

W

I

R

R

Q

Q

R

M

L

I

L

L

E

S

T

A

P

P

A

P

E

E

G

G

Y

V

A

A

G

A

C

A

A

L

A

G

L

M

A

A

-

E

-

R

-

P

-

D

G

S

A

T

D

D

L

L

T

-

P

-

T

-

S

P

G

A

L

L

R

S

L

C

P

P

A

T

L

L

C

V

V

L

A

V

G

G

D

Q

R

F

D
|
D

G

A

A

I

S

S

P

P

D

E

M

E

V

M

R

E

E

A

L

M

A

A

D

R

L

T

I

I

P

P

G

Q

S

S

R

Q

F

F

H

V

L

V

I

I

R

P

G

D

S

A

G

G

H
|
H

L
|
L

P

P

M

P

V

M

D

E

A

Q

P

P

D

E

A

R

F

V

A

T

N

Q

A

A

L

I

T

R

D

E

F

W

L

L

T

R

A

K

I

V

active site: F34 (≠ L30), L99 (≠ C93), S100 (= S94), M101 (≠ I95), D124 (≠ N118), E164 (≠ D150), D221 (= D206), H249 (= H234), L250 (= L235)
binding d-malate: F34 (≠ L30), S100 (= S94), M101 (≠ I95), Y104 (≠ M98), R138 (= R132), H249 (= H234)

4uhdA Structural studies of a thermophilic esterase from thermogutta terrifontis (acetate bound) (see paper)
26% identity, 92% coverage: 19:255/257 of query aligns to 23:270/274 of 4uhdA

query
sites
4uhdA

G

G

N

T

G

G

P

L

P

P

I

V

L

L

M

L

A

V

N

H

S
x
G

L
x
F

G

P

T

L

D

D

V

R

R

T

L

M

W

W

D

K

G

A

I

Q

I

R

P

E

S

E

L

L

-

C

E

D

G

E

Y

F

R

R

V

V

I

I

R

V

W

P

D

D

K

L

R

R

G

G

H

F

G

G

N

E

S

S

E

Q

V

V

P

I

P

P

P

G

P

V

Y

A

K

T

M

M

G

E

T

A

L

M

V

A

S

D

D

D

A

L

E

A

A

G

V

L

L

C

D

N

A

H

L

L

S

G

I

L

K

T

A

G

A

K

V

I

V

V

V

L

G

G

-

G

C
x
L

S
|
S

I
x
M

G

G

M
x
Y

I

V

A

A

Q

F

G

A

L

F

A

A

V

R

K

K

R

Y

P

R

D

D

Q

R

V

L

R

A

A

G

V

L

V

I

L

L

S

C

N
x
D

T

T

A

R

V

A

K

R

M

P

G

D

T

S

A

P

Q

E

M

A

W

K

Q

E

E

N

R
|
R

I

R

D

R

A

V

V

A

Q

E

A

R

G

V

-

R

-

E

-

G

-

P

-

G

-

F

-

I

G

A

M

E

E

E

A

M

V

I

V

P

D

R

A

L

V

C

L

C

D
x
E

R

S

W

T

F

F

A

R

P

N

R

H

F

P

P

E

D

V

R

I

A

E

L

K

W

I

R

R

Q

Q

R

M

L

I

L

L

E

S

T

A

P

P

A

P

E

E

G

G

Y

V

A

A

G

A

C

A

A

L

A

G

L

M

A

A

-

E

-

R

-

P

-

D

G

S

A

T

D

D

L

L

T

-

P

-

T

-

S

P

G

A

L

L

R

S

L

C

P

P

A

T

L

L

C

V

V

L

A

V

G

G

D

Q

R

F

D
|
D

G

A

A

I

S

S

P

P

D

E

M

E

V

M

R

E

E

A

L

M

A
|
A

D

R

L

T

I
|
I

P

P

G

Q

S
|
S

R

Q

F

F

H

V

L

V

I

I

R

P

G

D

S

A

G

G

H
|
H

L
|
L

P

P

M

P

V

M

D

E

A

Q

P

P

D

E

A

R

F

V

A

T

N

Q

A

A

L

I

T

R

D

E

F

W

L

L

T

R

A

K

I

V

active site: F34 (≠ L30), L99 (≠ C93), S100 (= S94), M101 (≠ I95), D124 (≠ N118), E164 (≠ D150), D221 (= D206), H249 (= H234), L250 (= L235)
binding acetate ion: G33 (≠ S29), F34 (≠ L30), S100 (= S94), Y104 (≠ M98), R138 (= R132), H249 (= H234)
binding magnesium ion: A233 (= A218), I236 (= I221), S239 (= S224)

5aljA Ligand complex structure of soluble epoxide hydrolase (see paper)
24% identity, 93% coverage: 13:252/257 of query aligns to 236:518/523 of 5aljA

query
sites
5aljA

L

L

H

H

V

F

T

V

V

E

D

L

G

G

N

S

G

G

P

P

P

A

I

V

L

C

M

L

A

C

N

H

S

G

L
x
F

G

P

T

E

D

S

V

W

R

Y

L

S

W

W

D

R

G

Y

I

Q

I

I

P

P

S

A

L

L

E

A

-

Q

-

A

G

G

Y

Y

R

R

V

V

I

L

R

A

W

M

D

D

K

M

R

K

G

G

H

Y

G

G

N

E

S

S

E

S

V

A

P

P

P

E

-

I

-

E

P

E

Y

Y

K

C

M

M

G

E

T

V

L

L

V

C

S

K

D

E

A

M

E

V

A

T

V

F

L

L

D

D

A

K

L

L

S

G

I

L

K

S

A

Q

A

A

V

V

V

F

V

I

G

G

C
x
H

S
x
D

I
x
W

G

G

M

M

I

L

A

V

Q

W

G

Y

L

M

A

A

V

L

K

F

R

Y

P

P

D

E

Q

R

V

V

R

R

A

A

V

V

V

A

L

S

S

L

N
|
N

T

T

A

P

V

F

-

I

-

P

-

A

-

N

-

P

K

N

M

M

G

S

T

P

A

L

Q

E

M

V

W
x
F

Q

D

E
x
Y

R
x
Q

I

L

D

Y

A

F

V

Q

Q

E

A

P

G

G

G

V

M

A

E

E

A

A

V

E

V

L

D

E

A

Q

V

N

L

L

D

S

R

R

W

T

F

F

A

K

P

S

R

L

F

F

-

R

-

A

-

S

-

D

-

E

-

S

-

V

-

L

-

V

-

C

-

E

-

A

-

G

-

L

-

F

-

V

-

N

-

S

P

P

D

E

R

E

A

P

L

S

W

L

R

S

Q

R

R

M

L

V

L

T

E

E

T

E

P

E

A

I

E

Q

G

F

Y

Y

A

V

G

-

C

-

A

Q

L

F

A

K

G

K

A

S

D

G

L

F

L

R

T

G

P

P

T

L

S

N

G

W

L
x
Y

R

R

-

N

-
x
M

-

E

-

R

-

N

-

W

-

K

-

W

-

A

-

C

-

K

-

S

-

L

-

G

-

R

-

K

-

I

-

L

L

I

P

P

A

A

L

L

C

M

V

V

A

T

G

A

D

E

R

K

D
|
D

G

F

A

V

S

L

P

V

P

P

D

Q

M

M

V

S

R

Q

E

H

L

M

A

E

D

D

L

W

I

I

P

P

G

H

S

L

R

K

F

R

H

G

L

H

I

I

R

E

G

D

S

C

G

G

H
|
H

L

W

P

T

M

Q

V

M

D

D

A

K

P

P

D

T

A

E

F

V

A

N

N

Q

A

I

L

L

T

I

D

K

F

W

L

L

active site: F253 (≠ L30), H320 (≠ C93), D321 (≠ S94), W322 (≠ I95), N345 (= N118), Y363 (≠ E131), Y442 (≠ L194), D472 (= D206), H500 (= H234)
binding 2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol: F253 (≠ L30), D321 (≠ S94), W322 (≠ I95), F361 (≠ W129), Q364 (≠ R132), Y442 (≠ L194), M445 (vs. gap)

7p4kA Soluble epoxide hydrolase in complex with fl217 (see paper)
24% identity, 94% coverage: 13:254/257 of query aligns to 22:310/313 of 7p4kA

query
sites
7p4kA

L

L

H

H

V

F

T

V

V

E

D

L

G

G

N

S

G

G

P

P

P

A

I

V

L

C

M

L

A

C

N

H

S

G

L
x
F

G

P

T

E

D

S

V

W

R

Y

L

S

W

W

D

R

G

Y

I

Q

I

I

P

P

S

A

L

L

E

A

-

Q

-

A

G

G

Y

Y

R

R

V

V

I

L

R

A

W

M

D

D

K

M

R

K

G

G

H

Y

G

G

N

E

S

S

E

S

V

A

P

P

P

E

-

I

-

E

P

E

Y

Y

K

C

M

M

G

E

T

V

L

L

V

C

S

K

D

E

A

M

E

V

A

T

V

F

L

L

D

D

A

K

L

L

S

G

I

L

K

S

A

Q

A

A

V

V

V

F

V

I

G

G

C

H

S
x
D

I
x
W

G

G

M
|
M

I

L

A

V

Q

W

G

Y

L

M

A

A

V

L

K

F

R

Y

P

P

D

E

Q

R

V

V

R

R

A

A

V

V

V

A

L

S

S

L

N

N

T

T

A
x
P

V

F

-

I

-

P

-

A

-

N

-

P

K

N

M

M

G

S

T

P

A

L

Q

E

M

S

W

F

Q

D

E
x
Y

R

Q

I

L

D

Y

A

F

V

Q

Q

E

A

P

G

G

G

V

M

A

E

E

A

A

V

E

V

L

D

E

A

Q

V

N

L

L

D

S

R

R

W

T

F

F

A

K

P

S

R

L

F

F

-

R

-

A

-

S

-

D

-

E

-

S

-

V

-

L

-

S

-
x
M

-

H

-

K

-

V

-

C

-

E

-

A

-

G

-

L

-

F

-

V

-

N

-

S

P

P

D

E

R

E

A

P

L

S

W

L

R

S

Q

R

R

M

L

V

L

T

E

E

T

E

P

E

A

I

E

Q

G

F

Y

Y

A

V

G

-

C

-

A

Q

L

F

A

K

G

K

A

S

D

G

L

F

L

R

T

G

P

P

T

L

S

N

G

W

L
x
Y

R

R

-

N

-

M

-

E

-

R

-

N

-

W

-

K

-

W

-

A

-

C

-

K

-

S

-

L

-

G

-

R

-

K

-

I

-

L

L

I

P

P

A

A

L

L

C

M

V

V

A

T

G

A

D

E

R

K

D

D

G

F

A
x
V

S

L

P

V

P

P

D

Q

M
|
M

V

S

R

Q

E

H

L

M

A

E

D

D

L

W

I

I

P

P

G

H

S

L

R

K

F

R

H

G

L

H

I

I

R

E

G

D

S

C

G

G

H
|
H

L

W

P

T

M

Q

V

M

D

D

A

K

P

P

D

T

A

E

F

V

A

N

N

Q

A

I

L

L

T

I

D

K

F

W

L

L

T

D

A

S

binding ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide: F39 (≠ L30), D107 (≠ S94), W108 (≠ I95), M111 (= M98), P133 (≠ A120), Y149 (≠ E131), M185 (vs. gap), Y232 (≠ L194), V264 (≠ A208), M269 (= M213), H290 (= H234)

5alsA Ligand complex structure of soluble epoxide hydrolase (see paper)
24% identity, 93% coverage: 13:252/257 of query aligns to 249:536/541 of 5alsA

query
sites
5alsA

L

L

H

H

V

F

T

V

V

E

D

L

G

G

N

S

G

G

P

P

P

A

I

V

L

C

M

L

A

C

N

H

S

G

L
x
F

G

P

T

E

D

S

V

W

R

Y

L

S

W

W

D

R

G

Y

I

Q

I

I

P

P

S

A

L

L

E

A

-

Q

-

A

G

G

Y

Y

R

R

V

V

I

L

R

A

W

M

D

D

K

M

R

K

G

G

H

Y

G

G

N

E

S

S

E

S

V

A

P

P

P

E

-

I

-

E

P

E

Y

Y

K

C

M

M

G

E

T

V

L

L

V

C

S

K

D

E

A

M

E

V

A

T

V

F

L

L

D

D

A

K

L

L

S

G

I

L

K

S

A

Q

A

A

V

V

V

F

V

I

G

G

C
x
H

S
x
D

I
x
W

G

G

M
|
M

I

L

A

V

Q

W

G

Y

L

M

A

A

V

L

K

F

R

Y

P

P

D

E

Q

R

V

V

R

R

A

A

V

V

V

A

L

S

S

L

N
|
N

T

T

A

P

V

F

K

I

M

P

G

A

T

N

A

P

Q

N

M

M

-

S

-

P

-

L

-

E

-

S

-

V

W

F

Q

D

E
x
Y

R
x
Q

I

L

D

Y

A

F

V

Q

Q

E

A

P

G

G

G

V

M

A

E

E

A

A

V

E

V

L

D

E

A

Q

V

N

L

L

D

S

R

R

W

T

F

F

A

K

P

S

R

L

F

F

-

R

-

A

-

S

-

D

-

E

-

S

-

V

-

L

-

S

-

M

-

H

-

K

-

V

-

C

-

E

-

A

-

G

-

L

-

F

-

V

-

N

-

S

P

P

D

E

R

E

A

P

L

S

W

L

R

S

Q

R

R

M

L

V

L

T

E

E

T

E

P

E

A

I

E

Q

G

F

Y

Y

A

V

G

-

C

-

A

Q

L

F

A

K

G

K

A

S

D

G

L

F

L

R

T

G

P

P

T

L

S

N

G

W

L
x
Y

R

R

-

N

-

M

-

E

-

R

-

N

-

W

-

K

-

W

-

A

-

C

-

K

-

S

-

L

-

G

-

R

-

K

-

I

-

L

L

I

P

P

A

A

L

L

C

M

V

V

A

T

G

A

D

E

R

K

D
|
D

G

F

A
x
V

S

L

P

V

P

P

D

Q

M
|
M

V

S

R

Q

E

H

L

M

A

E

D

D

L

W

I

I

P

P

G

H

S

L

R

K

F

R

H

G

L

H

I

I

R

E

G

D

S

C

G

G

H
|
H

L

W

P

T

M

Q

V

M

D

D

A

K

P

P

D

T

A

E

F

V

A

N

N

Q

A

I

L

L

T

I

D

K

F

W

L

L

active site: F266 (≠ L30), H333 (≠ C93), D334 (≠ S94), W335 (≠ I95), N358 (= N118), Y377 (≠ E131), Y460 (≠ L194), D490 (= D206), H518 (= H234)
binding n-cyclopentyl-2-[4-(trifluoromethyl)phenyl]-3h-imidazo[4,5-b]pyridine-7-sulfonamide: F266 (≠ L30), D334 (≠ S94), W335 (≠ I95), M338 (= M98), Y377 (≠ E131), Q378 (≠ R132), Y460 (≠ L194), V492 (≠ A208), M497 (= M213)

8zblA Bifunctional epoxide hydrolase 2 (see paper)
24% identity, 93% coverage: 13:252/257 of query aligns to 249:540/546 of 8zblA

query
sites
8zblA

L

L

H

H

V

F

T

V

V

E

D

L

G

G

N

S

G

G

P

P

P

A

I

V

L

C

M

L

A

C

N

H

S

G

L
x
F

G

P

T

E

D

S

V

W

R

Y

L

S

W

W

D

R

G

Y

I

Q

I

I

P

P

S

A

L

L

E

A

-

Q

-

A

G

G

Y

Y

R

R

V

V

I

L

R

A

W

M

D

D

K

M

R

K

G

G

H

Y

G

G

N

E

S

S

E

S

V

A

P

P

P

E

-

I

-

E

P

E

Y

Y

K

C

M

M

G

E

T

V

L

L

V

C

S

K

D

E

A

M

E

V

A

T

V

F

L

L

D

D

A

K

L

L

S

G

I

L

K

S

A

Q

A

A

V

V

V

F

V

I

G

G

C

H

S
x
D

I
x
W

G

G

M
|
M

I

L

A

V

Q

W

G

Y

L

M

A

A

V

L

K

F

R

Y

P

P

D

E

Q

R

V

V

R

R

A

A

V

V

V

A

L

S

S

L

N

N

T

T

A

P

V

F

K

I

M

P

G

A

T

N

A

P

Q

N

M

M

-

S

-

P

-

L

-

E

-

S

-

I

-

K

-

A

-

N

-

P

-
x
V

W

F

Q

D

E
x
Y

R

Q

I

L

D

Y

A

F

V

Q

Q

E

A

P

G

G

G

V

M

A

E

E

A

A

V

E

V

L

D

E

A

Q

V

N

L

L

D

S

R

R

W

T

F

F

A

K

P

S

R
x
L

F

F

-

R

-

A

P

S

D

D

R

E

A

S

L

V

W

L

R

S

Q

H

R

K

L

V

L

C

E

E

-

A

-

G

-

L

-

F

-

V

-

N

T

S

P

P

A

E

E

E

G

P

Y

S

A

L

G

S

C

R

C

M

A

V

A

T

L

E

A

E

G

E

A

I

D

Q

L

F

L

Y

T

V

-

Q

-

F

P

K

T

K

S

S

G

G

L

F

R

R

-

G

-

P

-

L

-

N

-

W

-
x
Y

-

R

-

N

-

M

-

E

-

R

-

N

-

W

-

K

-

W

-

A

-

C

-

K

-

S

-

L

-

G

-

R

-

K

-

I

-

L

L

I

P

P

A

A

L

L

C

M

V

V

A

T

G

A

D

E

R

K

D

D

G
x
F

A
x
V

S

L

P

V

P

P

D

Q

M

M

V

S

R

Q

E

H

L

M

A

E

D

D

L

W

I

I

P

P

G

H

S

L

R

K

F

R

H

G

L

H

I

I

R

E

G

D

S

C

G

G

H
|
H

L
x
W

P

T

M

Q

V

M

D

D

A

K

P

P

D

T

A

E

F

V

A

N

N

Q

A

I

L

L

T

I

D

K

F

W

L

L

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 (≠ L30), D334 (≠ S94), W335 (≠ I95), M338 (= M98), V379 (vs. gap), Y382 (≠ E131), L407 (≠ R156), Y464 (vs. gap), F495 (≠ G207), V496 (≠ A208), H522 (= H234), W523 (≠ L235)

Sites not aligning to the query:

binding magnesium ion: 8, 10, 184

7a7gA Soluble epoxide hydrolase in complex with tk90 (see paper)
23% identity, 94% coverage: 13:254/257 of query aligns to 22:314/317 of 7a7gA

query
sites
7a7gA

L

L

H

H

V

F

T

V

V

E

D

L

G

G

N

S

G

G

P

P

P

A

I

V

L

C

M

L

A

C

N

H

S

G

L
x
F

G

P

T

E

D

S

V

W

R

Y

L

S

W

W

D

R

G

Y

I

Q

I

I

P

P

S

A

L

L

E

A

-

Q

-

A

G

G

Y

Y

R

R

V

V

I

L

R

A

W

M

D

D

K

M

R

K

G

G

H

Y

G

G

N

E

S

S

E

S

V

A

P

P

P

E

-

I

-

E

P

E

Y

Y

K

C

M

M

G

E

T

V

L

L

V

C

S

K

D

E

A

M

E

V

A

T

V

F

L

L

D

D

A

K

L

L

S

G

I

L

K

S

A

Q

A

A

V

V

V

F

V

I

G

G

C

H

S
x
D

I
x
W

G

G

M
|
M

I

L

A

V

Q

W

G

Y

L

M

A

A

V

L

K

F

R

Y

P

P

D

E

Q

R

V

V

R

R

A

A

V

V

V

A

L

S

S

L

N

N

T

T

A

P

V

F

K

I

M

P

G

A

T

N

A

P

Q

N

M

M

-

S

-

P

-

L

-

E

-

S

-

I

-

N

-

P

-

V

W

F

Q

D

E
x
Y

R
x
Q

I

L

D

Y

A

F

V

Q

Q

E

A

P

G

G

G

V

M

A

E

E

A

A

V

E

V

L

D

E

A

Q

V

N

L

L

D

S

R

R

W

T

F

F

A

K

P

S

R

L

F

F

-

R

-

A

-

S

-

D

-

E

-

S

-

V

-

L

-

S

-
x
M

-

H

-

K

-

V

-

C

-

E

-

A

-

G

-

L

-

F

-

V

-

N

-

S

P

P

D

E

R

E

A

P

L

S

W

L

R

S

Q

R

R

M

L

V

L

T

E

E

T

E

P

E

A

I

E

Q

G

F

Y

Y

A

V

G

-

C

-

A

Q

L

F

A

K

G

K

A

S

D

G

L

F

L

R

T

G

P

P

T

L

S

N

G

W

L
x
Y

R

R

-

N

-

M

-

E

-

R

-

N

-

W

-

K

-

W

-

A

-

C

-

K

-

S

-

L

-

G

-

R

-

K

-

I

-

L

L

I

P

P

A

A

L

L

C

M

V

V

A

T

G

A

D

E

R

K

D

D

G

F

A
x
V

S

L

P

V

P

P

D

Q

M

M

V

S

R

Q

E

H

L

M

A

E

D

D

L

W

I

I

P

P

G

H

S

L

R

K

F

R

H

G

L

H

I

I

R

E

G

D

S

C

G

G

H
|
H

L

W

P

T

M

Q

V

M

D

D

A

K

P

P

D

T

A

E

F

V

A

N

N

Q

A

I

L

L

T

I

D

K

F

W

L

L

T

D

A

S

binding (2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid: F39 (≠ L30), D107 (≠ S94), W108 (≠ I95), M111 (= M98), Y153 (≠ E131), Q154 (≠ R132), M189 (vs. gap), Y236 (≠ L194), V268 (≠ A208), H294 (= H234)

5alrA Ligand complex structure of soluble epoxide hydrolase (see paper)
24% identity, 93% coverage: 13:252/257 of query aligns to 249:537/542 of 5alrA

query
sites
5alrA

L

L

H

H

V

F

T

V

V

E

D

L

G

G

N

S

G

G

P

P

P

A

I

V

L

C

M

L

A

C

N

H

S

G

L
x
F

G

P

T

E

D

S

V

W

R

Y

L

S

W

W

D

R

G

Y

I

Q

I

I

P

P

S

A

L

L

E

A

-

Q

-

A

G

G

Y

Y

R

R

V

V

I

L

R

A

W

M

D

D

K

M

R

K

G

G

H

Y

G

G

N

E

S

S

E

S

V

A

P

P

P

E

-

I

-

E

P

E

Y

Y

K

C

M

M

G

E

T

V

L

L

V

C

S

K

D

E

A

M

E

V

A

T

V

F

L

L

D

D

A

K

L

L

S

G

I

L

K

S

A

Q

A

A

V

V

V

F

V

I

G

G

C
x
H

S
x
D

I
x
W

G

G

M

M

I

L

A

V

Q

W

G

Y

L

M

A

A

V

L

K

F

R

Y

P

P

D

E

Q

R

V

V

R

R

A

A

V

V

V

A

L

S

S

L

N
|
N

T

T

A

P

V

F

K

I

M

P

G

A

T

N

A

P

Q

N

M

M

-

S

-

P

-

L

-

E

-

S

-

K

-

A

W

F

Q

D

E
x
Y

R
x
Q

I

L

D

Y

A
x
F

V

Q

Q

E

A

P

G

G

G

V

M

A

E

E

A

A

V

E

V

L

D

E

A

Q

V

N

L

L

D

S

R

R

W

T

F

F

A

K

P

S

R
x
L

F

F

-

R

-

A

-

S

-

D

-

E

-

S

-

V

-

L

-

S

-

M

-

H

-

K

-

V

-

C

-

E

-

A

-

G

-

L

-

F

-

V

-

N

-

S

P

P

D

E

R

E

A

P

L

S

W

L

R

S

Q

R

R

M

L

V

L

T

E

E

T

E

P

E

A

I

E

Q

G

F

Y

Y

A

V

G

-

C

-

A

Q

L

F

A

K

G

K

A

S

D

G

L

F

L

R

T

G

P

P

T

L

S

N

G

W

L
x
Y

R

R

-

N

-

M

-

E

-

R

-

N

-

W

-

K

-

W

-

A

-

C

-

K

-

S

-

L

-

G

-

R

-

K

-

I

-

L

L

I

P

P

A

A

L

L

C

M

V

V

A

T

G

A

D

E

R

K

D
|
D

G

F

A

V

S

L

P

V

P

P

D

Q

M

M

V

S

R

Q

E

H

L

M

A

E

D

D

L

W

I

I

P

P

G

H

S

L

R

K

F

R

H

G

L

H

I

I

R

E

G

D

S

C

G

G

H
|
H

L

W

P

T

M

Q

V

M

D

D

A

K

P

P

D

T

A

E

F

V

A

N

N

Q

A

I

L

L

T

I

D

K

F

W

L

L

active site: F266 (≠ L30), H333 (≠ C93), D334 (≠ S94), W335 (≠ I95), N358 (= N118), Y378 (≠ E131), Y461 (≠ L194), D491 (= D206), H519 (= H234)
binding n-[4-(trifluoromethylsulfanyl)phenyl]quinazolin-4-amine: F266 (≠ L30), D334 (≠ S94), W335 (≠ I95), Y378 (≠ E131), Q379 (≠ R132), F382 (≠ A135), L403 (≠ R156), Y461 (≠ L194), H519 (= H234)

5alvA Ligand complex structure of soluble epoxide hydrolase (see paper)
24% identity, 93% coverage: 13:252/257 of query aligns to 244:532/537 of 5alvA

query
sites
5alvA

L

L

H

H

V

F

T

V

V

E

D

L

G

G

N

S

G

G

P

P

P

A

I

V

L

C

M

L

A

C

N

H

S

G

L
x
F

G

P

T

E

D

S

V

W

R

Y

L

S

W

W

D

R

G

Y

I

Q

I

I

P

P

S

A

L

L

E

A

-

Q

-

A

G

G

Y

Y

R

R

V

V

I

L

R

A

W

M

D

D

K

M

R

K

G

G

H

Y

G

G

N

E

S

S

E

S

V

A

P

P

P

E

-

I

-

E

P

E

Y

Y

K

C

M

M

G

E

T

V

L

L

V

C

S

K

D

E

A

M

E

V

A

T

V

F

L

L

D

D

A

K

L

L

S

G

I

L

K

S

A

Q

A

A

V

V

V

F

V

I

G

G

C
x
H

S
x
D

I
x
W

G

G

M
|
M

I

L

A

V

Q

W

G

Y

L

M

A

A

V

L

K

F

R

Y

P

P

D

E

Q

R

V

V

R

R

A

A

V

V

V

A

L

S

S

L

N
|
N

T
|
T

A

P

V

F

K

I

M

P

G

A

T

N

A

P

Q

N

M

M

-

S

-

P

-

L

-

E

-

S

-

I

-

K

-

A

-
x
N

-

P

-

V

W

F

Q

D

E
x
Y

R
x
Q

I

L

D

Y

A

F

V

Q

Q

E

A

P

G

G

G

V

M

A

E

E

A

A

V

E

V

L

D

E

A

Q

V

N

L

L

D

S

R

R

W

T

F

F

A

K

P

S

R

L

F

F

-

R

-

A

-

S

-

D

-

E

-

S

-

V

-

L

-

S

-

M

-

E

-

A

-

G

-

L

-

F

-

V

-

N

-

S

P

P

D

E

R

E

A

P

L

S

W

L

R

S

Q

R

R

M

L

V

L

T

E

E

T

E

P

E

A

I

E

Q

G

F

Y

Y

A

V

G

-

C

-

A

Q

L

F

A

K

G

K

A

S

D

G

L

F

L

R

T

G

P

P

T

L

S

N

G

W

L
x
Y

R

R

-

N

-

M

-

E

-

R

-

N

-

W

-

K

-

W

-

A

-

C

-

K

-

S

-

L

-

G

-

R

-

K

-

I

-

L

L

I

P

P

A

A

L

L

C

M

V

V

A

T

G

A

D

E

R

K

D
|
D

G

F

A

V

S

L

P

V

P

P

D

Q

M

M

V

S

R

Q

E

H

L

M

A

E

D

D

L

W

I

I

P

P

G

H

S

L

R

K

F

R

H

G

L

H

I

I

R

E

G

D

S

C

G

G

H
|
H

L

W

P

T

M

Q

V

M

D

D

A

K

P

P

D

T

A

E

F

V

A

N

N

Q

A

I

L

L

T

I

D

K

F

W

L

L

active site: F261 (≠ L30), H328 (≠ C93), D329 (≠ S94), W330 (≠ I95), N353 (= N118), N372 (vs. gap), Y377 (≠ E131), Y456 (≠ L194), D486 (= D206), H514 (= H234)
binding 3-(3-fluorophenyl)-1H-pyrazole: D329 (≠ S94), W330 (≠ I95), M333 (= M98), T354 (= T119), Y377 (≠ E131), Q378 (≠ R132), Y456 (≠ L194)

5am2A Ligand complex structure of soluble epoxide hydrolase (see paper)
24% identity, 93% coverage: 13:252/257 of query aligns to 244:532/537 of 5am2A

query
sites
5am2A

L

L

H

H

V

F

T

V

V

E

D

L

G

G

N

S

G

G

P

P

P

A

I

V

L

C

M

L

A

C

N

H

S

G

L
x
F

G

P

T

E

D

S

V

W

R

Y

L

S

W

W

D

R

G

Y

I

Q

I

I

P

P

S

A

L

L

E

A

-

Q

-

A

G

G

Y

Y

R

R

V

V

I

L

R

A

W

M

D

D

K

M

R

K

G

G

H

Y

G

G

N

E

S

S

E

S

V

A

P

P

P

E

-

I

-

E

P

E

Y

Y

K

C

M

M

G

E

T

V

L

L

V

C

S

K

D

E

A

M

E

V

A

T

V

F

L

L

D

D

A

K

L

L

S

G

I

L

K

S

A

Q

A

A

V

V

V

F

V

I

G

G

C
x
H

S
x
D

I
x
W

G

G

M
|
M

I

L

A

V

Q

W

G
x
Y

L

M

A

A

V

L

K

F

R

Y

P

P

D

E

Q

R

V

V

R

R

A

A

V

V

V

A

L

S

S

L

N
|
N

T

T

A

P

V

F

K
x
I

M

P

G

A

T

N

A

P

Q

N

M

M

-

S

-

P

-

L

-

E

-
x
S

-

I

-

K

-

A

-
x
N

-

P

-

V

W

F

Q

D

E
x
Y

R

Q

I

L

D

Y

A
x
F

V

Q

Q

E

A

P

G

G

G

V

M

A

E

E

A

A

V

E

V

L

D

E

A

Q

V

N

L

L

D

S

R

R

W

T

F

F

A

K

P

S

R
x
L

F

F

-

R

-

A

-

S

-

D

-

E

-

S

-

V

-

L

-

V

-

C

-

E

-

A

-

G

-
x
L

-

F

-

V

-

N

-

S

P

P

D

E

R

E

A

P

L

S

W

L

R

S

Q

R

R

M

L

V

L

T

E

E

T

E

P

E

A

I

E

Q

G

F

Y

Y

A

V

G

-

C

-

A

Q

L

F

A

K

G

K

A

S

D

G

L

F

L

R

T

G

P

P

T

L

S

N

G

W

L
x
Y

R

R

-

N

-
x
M

-

E

-

R

-
x
N

-

W

-

K

-

W

-

A

-

C

-

K

-

S

-

L

-

G

-

R

-

K

-

I

-

L

L

I

P

P

A

A

L

L

C

M

V

V

A

T

G

A

D

E

R

K

D
|
D

G
x
F

A
x
V

S

L

P

V

P

P

D

Q

M

M

V

S

R

Q

E

H

L

M

A

E

D

D

L

W

I

I

P

P

G

H

S

L

R

K

F

R

H

G

L

H

I

I

R

E

G

D

S

C

G

G

H
|
H

L
x
W

P

T

M

Q

V

M

D

D

A

K

P

P

D

T

A

E

F

V

A

N

N

Q

A

I

L

L

T

I

D

K

F

W

L

L

active site: F261 (≠ L30), H328 (≠ C93), D329 (≠ S94), W330 (≠ I95), N353 (= N118), N372 (vs. gap), Y377 (≠ E131), Y456 (≠ L194), D486 (= D206), H514 (= H234)
binding 7-methyl-2h-isoquinolin-1-one: F261 (≠ L30), W330 (≠ I95), M333 (= M98), Y337 (≠ G102), I357 (≠ K122), S368 (vs. gap), Y377 (≠ E131), F381 (≠ A135), L402 (≠ R156), L418 (vs. gap), M459 (vs. gap), N462 (vs. gap), D486 (= D206), F487 (≠ G207), V488 (≠ A208), H514 (= H234), W515 (≠ L235)

5fp0A Ligand complex structure of soluble epoxide hydrolase (see paper)
24% identity, 93% coverage: 13:252/257 of query aligns to 249:538/543 of 5fp0A

query
sites
5fp0A

L

L

H

H

V

F

T

V

V

E

D

L

G

G

N

S

G

G

P

P

P

A

I

V

L

C

M

L

A

C

N

H

S

G

L
x
F

G

P

T

E

D

S

V

W

R

Y

L

S

W

W

D

R

G

Y

I

Q

I

I

P

P

S

A

L

L

E

A

-

Q

-

A

G

G

Y

Y

R

R

V

V

I

L

R

A

W

M