MolNFT v1 · #176659 · protein
Human calcium-sensing receptor bound with calcium ions
7DTT · Extracellular calcium-sensing receptor: “Human calcium-sensing receptor bound with calcium ions”. Electron microscopy, 2 ligands (NAG, CA), 20 pockets (best druggability 0.88). MolNFT v1 #176659 on GenesisL1: 3D structure, binding…
- PDB
- 7DTT
- Type
- protein
- Length
- 1,558 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Extracellular calcium-sensing receptor
- UniProt
- P41180
- Ligands
- NAG, CA
- Pockets
- 20 · best druggability 0.88
Structure
electron microscopy · 1 distinct chain · 37% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Extracellular calcium-sensing receptor | protein | 779 | 37% helix, 10% strand | P41180 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 18 copies · chains A, B
- CA · Calcium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1124 | 0.88 | 0.90 | 128 | CA |
| 2 | 1153 | 0.80 | 0.81 | 117 | empty |
| 3 | 1112 | 0.80 | 0.81 | 114 | empty |
| 4 | 281 | 0.78 | 0.90 | 50 | empty |
| 5 | 802 | 0.72 | 0.77 | 72 | NAG |
Interfaces
1 interface between chains.
- A–B · 3131 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 12 glycan (disulfide, N-glycosylation).
Compared structures
- 7DTT · Human Calcium-Sensing Receptor bound with calcium ions · the same entry in another collection · chain A against A, TM-score 1.00
- P41180 · AlphaFold monomer V2.0 prediction for extracellular calcium-sensing receptor (P41180) · a predicted model of the same protein · chain B against A, TM-score 0.82
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P41180
- Elsewhere: RCSB PDB 7DTT · PDBe 7DTT · UniProt P41180
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