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CCR5_HUMAN_1_352

C-C chemokine receptor type 5 [G-protein coupled receptor 1 family]

Composition of the binding site

Protein chains monomer
A1 (CCR5_HUMAN):37, 86, 89, 105, 108, 109, 112, 167, 178:180, 182, 194, 195, 198, 248, 251, 255, 259, 279, 280, 283, 284, 28737, 86, 89, 105, 108, 109, 112, 167, 178:180, 182, 194, 195, 198, 248, 251, 255, 259, 279, 280, 283, 284, 287

Full PDB list

4mbs, 5uiw

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Y
3
7
W
8
6
Y
8
9
T
1
0
5
Y
1
0
8
F
1
0
9
F
1
1
2
T
1
6
7
C
1
7
8
S
1
7
9
S
1
8
0
F
1
8
2
Q
1
9
4
T
1
9
5
I
1
9
8
W
2
4
8
Y
2
5
1
L
2
5
5
M
2
7
9
E
2
8
3
T
2
8
4
M
2
8
7
[1]4mbs.b mrv37 . . . . . . . . . . . . . . . . . . . . . .
[1]5uiw.a pcaGPP26 . . . . . . . . . . . . . . . . . . . . . .

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
Y
3
7
W
8
6
Y
8
9
T
1
0
5
Y
1
0
8
F
1
0
9
F
1
1
2
T
1
6
7
C
1
7
8
S
1
7
9
S
1
8
0
F
1
8
2
Q
1
9
4
T
1
9
5
I
1
9
8
W
2
4
8
Y
2
5
1
L
2
5
5
T
2
5
9
M
2
7
9
Q
2
8
0
E
2
8
3
T
2
8
4
M
2
8
7
[1]4mbs.b . . . . . . . . . . . . . . . . . . . . . . . .
[1]5uiw.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
4mbs.b:mrv
5uiw.a:pcaGPP
[1] 4mbs.b
0
0
[1] 5uiw.a 2.1
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
4mbs.b
5uiw.a
[1] 4mbs.b
0
.09
[1] 5uiw.a .09
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.5 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
4mbs.b
5uiw.a
[1] 4mbs.b
0
0.7
[1] 5uiw.a 0.7
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

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
4mbs.b
5uiw.a
[1] 4mbs.b
0
1.1
[1] 5uiw.a 1.1
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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