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AGTR1_HUMAN_14_317

Type-1 angiotensin II receptor [G-protein coupled receptor 1 family]

Composition of the binding site

Protein chains monomer
A1 (AGTR1_HUMAN):31, 35, 77, 81, 84, 87, 88, 92, 105, 108, 109, 112, 163, 167, 182, 285, 288, 29231, 35, 77, 81, 84, 87, 88, 92, 105, 108, 109, 112, 163, 167, 182, 285, 288, 292

Full PDB list

4yay, 4zud

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
Y
3
5
F
7
7
W
8
4
Y
8
7
T
8
8
Y
9
2
S
1
0
5
V
1
0
8
S
1
0
9
L
1
1
2
A
1
6
3
R
1
6
7
F
1
8
2
P
2
8
5
I
2
8
8
Y
2
9
2
[1]4yay.a zd733 . . . . . . . . . . . . . . . .
[1]4zud.a olm33 . . . . . . . . . . . . . . . .

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
I
3
1
Y
3
5
F
7
7
L
8
1
W
8
4
Y
8
7
T
8
8
Y
9
2
S
1
0
5
V
1
0
8
S
1
0
9
L
1
1
2
A
1
6
3
R
1
6
7
F
1
8
2
P
2
8
5
I
2
8
8
Y
2
9
2
[1]4yay.a . . . . . . . . . . . . . . . . . .
[1]4zud.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
4yay.a:zd7
4zud.a:olm
[1] 4yay.a
0
0.2
[1] 4zud.a 0.7
0.1
[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
4yay.a
4zud.a
[1] 4yay.a
0
.04
[1] 4zud.a .04
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.4 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
4yay.a
4zud.a
[1] 4yay.a
0
0.4
[1] 4zud.a 0.4
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 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
4yay.a
4zud.a
[1] 4yay.a
0
0.9
[1] 4zud.a 0.9
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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