MolNFT v1 · #124117 · protein
Crystal structure of the inactive form of human calcium-sensing receptor extracellular domain
5K5T · Extracellular calcium-sensing receptor: “Crystal structure of the inactive form of human calcium-sensing receptor extracellular domain”. X-ray diffraction, 3 ligands (NAG, CA, SO4), 5 pockets (best druggability 0.64). MolNFT v1…
- PDB
- 5K5T
- Type
- protein
- Length
- 578 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Extracellular calcium-sensing receptor
- UniProt
- P41180
- Ligands
- NAG, CA, SO4
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Extracellular calcium-sensing receptor | protein | 578 | 31% helix, 22% strand | P41180 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 566 | 0.64 | 0.76 | 54 | SO4 |
| 2 | 61 | 0.43 | 0.82 | 17 | NAG |
| 3 | 82 | 0.39 | 0.78 | 16 | empty |
| 4 | 56 | 0.37 | 0.79 | 14 | empty |
| 5 | 57 | 0.31 | 0.76 | 14 | empty |
Modifications
Observed in the structure: 8 disulfide, 7 glycan (disulfide, N-glycosylation).
Compared structures
- 5K5T · Crystal structure of the inactive form of human calcium-sensing receptor extracellular… · 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 A against A, TM-score 0.80
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 5K5T · PDBe 5K5T · UniProt P41180
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