Research workbench
Structure of positive allosteric modulator-bound active human calcium- sensing receptor
Analyse Structure of positive allosteric modulator-bound active human calcium- sensing… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7SIL
- Type
- protein
- Length
- 1,562 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoform 1 of extracellular calcium-sensing receptor
- Ligands
- CLR, TCR, 9IG, NAG, CA, PO4
- Pockets
- 18 · best druggability 0.89
Structure
electron microscopy · 1 distinct chain · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Isoform 1 of extracellular calcium-sensing receptor | protein | 781 | 44% helix, 16% strand | — |
Ligands and binding sites
- CLR · Cholesterol · ligand · 8 copies · chains A, B
- TCR · Cyclomethyltryptophan · ligand · 2 copies · chains A, B
- 9IG · 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl) ethyl]propan-1-amine · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 14 copies · chains A, B
- CA · Calcium ion · metal · 8 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1074 | 0.89 | 0.91 | 153 | TCR, PO4, CA |
| 2 | 762 | 0.80 | 0.84 | 87 | CA |
| 3 | 316 | 0.66 | 0.81 | 37 | 9IG |
| 4 | 261 | 0.64 | 0.81 | 42 | 9IG |
| 5 | 121 | 0.63 | 0.87 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 3044 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 10 glycan (disulfide, N-glycosylation).
Compared structures
- 7SIL · Structure of positive allosteric modulator-bound active human calcium-sensing receptor · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 7SIL · PDBe 7SIL
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