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HYES_MOUSE_1_554

Bifunctional epoxide hydrolase 2 [AB hydrolase superfamily. Epoxide hydrolase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (HYES_MOUSE):R: Epoxide hydrolase (265, 266, 333, 334, 337, 361, 372, 381, 382, 406, 415, 416, 418, 465, 468, 471, 472, 496:498, 523, 524)
D: AB hydrolase-1 (265, 266, 333, 334, 337, 361, 372, 381, 382, 406, 415, 416, 418, 465, 468, 471, 472, 496:498, 523, 524)
265, 266, 333, 334, 337, 361, 372, 381, 382, 406, 415, 416, 418, 465, 468, 471, 472, 496:498, 523, 524

Full PDB list

1cqz, 1cr6, 1ek1, 1ek2

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
F
2
6
5
D
3
3
3
W
3
3
4
V
3
3
7
M
3
6
1
V
3
7
2
Y
3
8
1
Q
3
8
2
F
4
0
6
I
4
1
6
V
4
1
8
Y
4
6
5
V
4
9
7
L
4
9
8
H
5
2
3
W
5
2
4
[1]1cqz.a none . . . . . . . . . . . . . . . .
[1]1cr6.a cpu19 . . . . . . . . . . . . . . . .
[1]1ek1.a ciu17 . . . . . . . . . . . . . . . .
[1]1ek2.a cdu20 . . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

[download in TSV format]
   
PDB.ch
A1
F
2
6
5
P
2
6
6
D
3
3
3
W
3
3
4
V
3
3
7
M
3
6
1
V
3
7
2
Y
3
8
1
Q
3
8
2
F
4
0
6
F
4
1
5
I
4
1
6
V
4
1
8
Y
4
6
5
T
4
6
8
N
4
7
1
W
4
7
2
I
4
9
6
V
4
9
7
L
4
9
8
H
5
2
3
W
5
2
4
[1]1cqz.a . . . . . . . . . . . . . . . . . . . . . .
[1]1cr6.a . . . . . . . . . . . . . . . . . . . . . .
[1]1ek1.a . . . . . . . . . . . . . . . . . . . . . .
[1]1ek2.a . . . . . . . . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

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pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1cqz.a is apo
1cr6.a:cpu
1ek1.a:ciu
1ek2.a:cdu
[1] 1cqz.a
-
0.2 0.1 0.3
[1] 1cr6.a -
0
0.2 0.2
[1] 1ek1.a - 0.3
0
0
[1] 1ek2.a - 0.1 0
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

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pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
1cqz.a
1cr6.a
1ek1.a
1ek2.a
[1] 1cqz.a
0
.02 .02 .01
[1] 1cr6.a .02
0
.03 .02
[1] 1ek1.a .02 .03
0
.01
[1] 1ek2.a .01 .02 .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.8 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1cqz.a
1cr6.a
1ek1.a
1ek2.a
[1] 1cqz.a
0
0.3 0.4 0.3
[1] 1cr6.a 0.3
0
0.3 0.4
[1] 1ek1.a 0.4 0.3
0
0.4
[1] 1ek2.a 0.3 0.4 0.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.3 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1cqz.a
1cr6.a
1ek1.a
1ek2.a
[1] 1cqz.a
0
0.7 0.8 0.8
[1] 1cr6.a 0.7
0
1.0 0.6
[1] 1ek1.a 0.8 1.0
0
1.1
[1] 1ek2.a 0.8 0.6 1.1
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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