MolNFT v1 · #115703 · protein
Human skeletal calsequestrin, D210G mutant high-calcium complex
5CRG · Calsequestrin-1: “Human skeletal calsequestrin, D210G mutant high-calcium complex”. X-ray diffraction, 1 ligand (CA), 20 pockets (best druggability 0.84). MolNFT v1 #115703 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5CRG
- Type
- protein
- Length
- 1,416 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calsequestrin-1
- UniProt
- P31415
- Ligands
- CA
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Calsequestrin-1 | protein | 354 | 38% helix, 19% strand | P31415 |
Ligands and binding sites
- CA · Calcium ion · metal · 82 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 878 | 0.84 | 0.86 | 117 | CA |
| 2 | 1029 | 0.82 | 0.82 | 74 | CA |
| 3 | 1165 | 0.80 | 0.82 | 90 | CA |
| 4 | 1091 | 0.74 | 0.77 | 89 | CA |
| 5 | 269 | 0.69 | 0.84 | 31 | empty |
Interfaces
4 interfaces between chains.
- A–B · 2667 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 2652 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 352 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 102 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- P31415 · AlphaFold monomer V2.0 prediction for calsequestrin-1 (P31415) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P31415
- Elsewhere: RCSB PDB 5CRG · PDBe 5CRG · UniProt P31415
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