MolNFT v1 · #158851 · protein
Crystal structure of the ljcastor gating ring in the CA2+ and na+ condition
6O6J · Ion channel castor: “Crystal structure of the ljcastor gating ring in the CA2+ and na+ condition”. X-ray diffraction, 3 ligands (CA, NA, MG), 6 pockets (best druggability 0.76). MolNFT v1 #158851 on GenesisL1: 3D structure, binding…
- PDB
- 6O6J
- Type
- protein
- Length
- 505 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ion channel castor
- UniProt
- Q5H8A6
- Ligands
- CA, NA, MG
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ion channel castor | protein | 505 | 38% helix, 23% strand | Q5H8A6 |
Ligands and binding sites
- CA · Calcium ion · metal · 3 copies · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- MG · Magnesium ion · metal · 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 | 131 | 0.76 | 0.95 | 27 | empty |
| 2 | 199 | 0.53 | 0.78 | 29 | empty |
| 3 | 123 | 0.53 | 0.81 | 19 | empty |
| 4 | 192 | 0.50 | 0.77 | 28 | empty |
| 5 | 189 | 0.42 | 0.73 | 25 | empty |
Compared structures
- 6O6J · Crystal structure of the LjCASTOR gating ring in the Ca2+ and Na+ condition · the same entry in another collection · chain A against A, TM-score 1.00
- Q5H8A6 · AlphaFold monomer V2.0 prediction for ion channel castor (Q5H8A6) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 Q5H8A6
- Elsewhere: RCSB PDB 6O6J · PDBe 6O6J · UniProt Q5H8A6
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