MolNFT v1 · #115704 · protein
Human skeletal calsequestrin, M53T mutant high-calcium complex
5CRH · Calsequestrin-1: “Human skeletal calsequestrin, M53T mutant high-calcium complex”. X-ray diffraction, 1 ligand (CA), 11 pockets (best druggability 0.84). MolNFT v1 #115704 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5CRH
- Type
- protein
- Length
- 707 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calsequestrin-1
- UniProt
- P31415
- Ligands
- CA
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calsequestrin-1 | protein | 354 | 39% helix, 19% strand | P31415 |
| B | Calsequestrin-1 | protein | 353 | 39% helix, 19% strand | P31415 |
Ligands and binding sites
- CA · Calcium ion · metal · 27 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1086 | 0.84 | 0.85 | 106 | CA |
| 2 | 1012 | 0.77 | 0.79 | 76 | empty |
| 3 | 294 | 0.70 | 0.84 | 30 | empty |
| 4 | 65 | 0.53 | 0.87 | 15 | empty |
| 5 | 77 | 0.44 | 0.81 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2671 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
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 5CRH · PDBe 5CRH · UniProt P31415
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