MolNFT v1 · #115701 · protein
Human skeletal calsequestrin, D210G mutant low-calcium complex
5CRE · Calsequestrin-1: “Human skeletal calsequestrin, D210G mutant low-calcium complex”. X-ray diffraction, 1 ligand (CA), 6 pockets (best druggability 0.72). MolNFT v1 #115701 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5CRE
- Type
- protein
- Length
- 347 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calsequestrin-1
- UniProt
- P31415
- Ligands
- CA
- Pockets
- 6 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calsequestrin-1 | protein | 347 | 35% helix, 20% strand | P31415 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 80 | 0.72 | 0.95 | 18 | empty |
| 2 | 343 | 0.69 | 0.82 | 39 | empty |
| 3 | 194 | 0.56 | 0.79 | 37 | empty |
| 4 | 86 | 0.45 | 0.79 | 15 | MPD |
| 5 | 64 | 0.36 | 0.77 | 14 | empty |
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 5CRE · PDBe 5CRE · UniProt P31415
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