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PAR2_HUMAN_54_377_TM

Proteinase-activated receptor 2 [G-protein coupled receptor 1 family]

Composition of the binding site

Protein chains monomer
A1 (PAR2_HUMAN):78, 82, 131, 134, 135, 141, 152, 155, 156, 226:228, 327, 33078, 82, 131, 134, 135, 141, 152, 155, 156, 226:228, 327, 330
Metals (Me):Na

Full PDB list

5ndd, 5ndz, 5nj6 (redundant Pocketome entry)

Pocket contact map

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PDB.ch
   
ligand
A1 Me
L
7
8
Y
8
2
K
1
3
1
Y
1
3
4
H
1
3
5
W
1
4
1
I
1
5
2
F
1
5
5
Y
1
5
6
C
2
2
6
H
2
2
7
D
2
2
8
I
3
2
7
L
3
3
0
[1]5ndd.a 8tz17 . . . . . . . . . . . . . . Na
[1]5ndz.a none . . . . . . . . . . . . . . Na

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 Me
L
7
8
Y
8
2
K
1
3
1
Y
1
3
4
H
1
3
5
W
1
4
1
I
1
5
2
F
1
5
5
Y
1
5
6
C
2
2
6
H
2
2
7
D
2
2
8
I
3
2
7
L
3
3
0
[1]5ndd.a . . . . . . . . . . . . . . Na
[1]5ndz.a . . . . . . . . . . . . . . Na

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
5ndd.a:8tz
5ndz.a is apo
[1] 5ndd.a
0.1
-
[1] 5ndz.a 0.2
-
[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
5ndd.a
5ndz.a
[1] 5ndd.a
0
.01
[1] 5ndz.a .01
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.1 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
5ndd.a
5ndz.a
[1] 5ndd.a
0
0.1
[1] 5ndz.a 0.1
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

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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
5ndd.a
5ndz.a
[1] 5ndd.a
0
0.2
[1] 5ndz.a 0.2
0
[Binding site full-atom RMSD matrix]







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[ENTRY 2D visualization]

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