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CNR1_HUMAN_96_416_EH234

Cannabinoid receptor 1 [G-protein coupled receptor 1 family]

Composition of the binding site

Protein chains monomer
A1 (CNR1_HUMAN):154, 157, 158, 161, 165, 195, 198, 237, 238, 241, 245154, 157, 158, 161, 165, 195, 198, 237, 238, 241, 245

Full PDB list

5tgz, 5u09, 5xr8, 5xra (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1
H
1
5
4
S
1
5
8
V
1
6
1
L
1
6
5
A
1
9
8
C
2
3
8
W
2
4
1
I
2
4
5
[1]5u09.a none . . . . . . . .
[1]5xra.a clr28 . . . . . . . .

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

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PDB.ch
A1
H
1
5
4
G
1
5
7
S
1
5
8
V
1
6
1
L
1
6
5
G
1
9
5
A
1
9
8
F
2
3
7
C
2
3
8
W
2
4
1
I
2
4
5
[1]5u09.a . . . . * . . . . . .
[1]5xra.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
5u09.a is apo
5xra.a:clr
[1] 5u09.a
-
0.8
[1] 5xra.a -
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
5u09.a
5xra.a
[1] 5u09.a
0
.07
[1] 5xra.a .07
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.7 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
5u09.a
5xra.a
[1] 5u09.a
0
0.8
[1] 5xra.a 0.8
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue 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
5u09.a
5xra.a
[1] 5u09.a
0
1.4
[1] 5xra.a 1.4
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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