MolNFT v1 · #187529 · protein
Structure of positive allosteric modulator-free active human calcium- sensing receptor
7SIM · Isoform 1 of extracellular calcium-sensing receptor: “Structure of positive allosteric modulator-free active human calcium- sensing receptor”. Electron microscopy, 5 ligands (CLR, TCR, NAG), 14 pockets (best druggability 0.89).…
- PDB
- 7SIM
- 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, NAG, CA, PO4
- Pockets
- 14 · best druggability 0.89
Structure
electron microscopy · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Isoform 1 of extracellular calcium-sensing receptor | protein | 781 | 44% helix, 17% strand | — |
Ligands and binding sites
- CLR · Cholesterol · ligand · 8 copies · chains A, B
- TCR · Cyclomethyltryptophan · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 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
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1088 | 0.89 | 0.91 | 156 | TCR, PO4, CA |
| 2 | 507 | 0.74 | 0.83 | 55 | empty |
| 3 | 181 | 0.73 | 0.90 | 41 | empty |
| 4 | 242 | 0.66 | 0.83 | 37 | empty |
| 5 | 107 | 0.65 | 0.89 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 3014 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 6 glycan (disulfide, N-glycosylation).
Compared structures
- 7SIM · Structure of positive allosteric modulator-free 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 7SIM · PDBe 7SIM
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