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OX1R_HUMAN_1_380

Orexin receptor type 1 [G-protein coupled receptor 1 family]

Composition of the binding site

Protein chains monomer
A1 (OX1R_HUMAN):102, 103, 106, 112, 122, 123, 126, 130, 179, 183, 204, 216, 219, 311, 314, 318, 344, 347, 348102, 103, 106, 112, 122, 123, 126, 130, 179, 183, 204, 216, 219, 311, 314, 318, 344, 347, 348

Full PDB list

4zj8, 4zjc

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
A
1
0
2
S
1
0
3
V
1
0
6
W
1
1
2
I
1
2
2
P
1
2
3
Q
1
2
6
V
1
3
0
Q
1
7
9
M
1
8
3
E
2
0
4
H
2
1
6
F
2
1
9
I
3
1
4
N
3
1
8
H
3
4
4
V
3
4
7
Y
3
4
8
[1]4zj8.a suv32 . . . . . . . . . . . . . . . . . .
[1]4zjc.a 4ot32 . . . . . . . . . . . . . . . . . .

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
A
1
0
2
S
1
0
3
V
1
0
6
W
1
1
2
I
1
2
2
P
1
2
3
Q
1
2
6
V
1
3
0
Q
1
7
9
M
1
8
3
E
2
0
4
H
2
1
6
F
2
1
9
Y
3
1
1
I
3
1
4
N
3
1
8
H
3
4
4
V
3
4
7
Y
3
4
8
[1]4zj8.a . . . . . . . . . . . . . . . . . . .
[1]4zjc.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
4zj8.a:suv
4zjc.a:4ot
[1] 4zj8.a
0
0.3
[1] 4zjc.a 0.1
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
4zj8.a
4zjc.a
[1] 4zj8.a
0
.01
[1] 4zjc.a .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.3 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
4zj8.a
4zjc.a
[1] 4zj8.a
0
0.2
[1] 4zjc.a 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.1 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
4zj8.a
4zjc.a
[1] 4zj8.a
0
0.6
[1] 4zjc.a 0.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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