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CASR_HUMAN_2_541_ECD

Extracellular calcium-sensing receptor [G-protein coupled receptor 3 family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (CASR_HUMAN):R: Ligand-binding 1 (LB1) (66, 70, 145:147, 168:170, 187)
R: Anion binding (66, 70)
R: Ligand-binding 2 (LB2) (218, 297, 298)
R: Anion binding (416)
66, 70, 145:147, 168:170, 187, 218, 297, 298, 416

Full PDB list

5fbh, 5fbk, 5k5s, 5k5t (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
R
6
6
W
7
0
T
1
4
5
G
1
4
6
S
1
4
7
A
1
6
8
S
1
6
9
S
1
7
0
I
1
8
7
Y
2
1
8
E
2
9
7
A
2
9
8
I
4
1
6
[1]5fbk.a tcr16 . . . . . . . . . . . . .
[1]5k5s.a W15 . . . . . . . . . . . . .
[1]5k5t.a none . . . . . . . . . . . . .

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
R
6
6
W
7
0
T
1
4
5
G
1
4
6
S
1
4
7
A
1
6
8
S
1
6
9
S
1
7
0
I
1
8
7
Y
2
1
8
E
2
9
7
A
2
9
8
I
4
1
6
[1]5fbk.a . . . . . . . . . . . . .
[1]5k5s.a . . . . . . . . . . . . .
[1]5k5t.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
5fbk.a:tcr
5k5s.a:W
5k5t.a is apo
[1] 5fbk.a
0.1
0 -
[1] 5k5s.a 0.2
0
-
[1] 5k5t.a 0.3 0.3
-
[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
5fbk.a
5k5s.a
5k5t.a
[1] 5fbk.a
0
.01 .02
[1] 5k5s.a .01
0
.02
[1] 5k5t.a .02 .02
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.2 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
5fbk.a
5k5s.a
5k5t.a
[1] 5fbk.a
0
0.2 2.5
[1] 5k5s.a 0.2
0
2.5
[1] 5k5t.a 2.5 2.5
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
5fbk.a
5k5s.a
5k5t.a
[1] 5fbk.a
0
0.2 2.7
[1] 5k5s.a 0.2
0
2.6
[1] 5k5t.a 2.7 2.6
0
[Binding site full-atom RMSD matrix]







[show 3D visualization]

[ENTRY 2D visualization]

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