MolNFT v1 · #104090 · protein
Vitamin D receptor complex with lithocholic acid
4Q0A · Vitamin D3 receptor a: “Vitamin D receptor complex with lithocholic acid”. X-ray diffraction, 1 ligand (4OA), 2 pockets (best druggability 0.87). MolNFT v1 #104090 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Q0A
- Type
- protein
- Length
- 249 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Vitamin D3 receptor a; Nuclear receptor coactivator 2
- UniProt
- Q9PTN2, Q15596
- Ligands
- 4OA
- Pockets
- 2 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 66% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Vitamin D3 receptor a | protein | 239 | 66% helix, 3% strand | Q9PTN2 |
| D | Nuclear receptor coactivator 2 | protein | 10 | 60% helix, 0% strand | Q15596 |
Ligands and binding sites
- 4OA · (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid · ligand · 2 copies · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 348 | 0.87 | 0.96 | 39 | 4OA |
| 2 | 160 | 0.48 | 0.77 | 23 | empty |
Interfaces
1 interface between chains.
- C–D · 581 Ų buried · 8 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 Q9PTN2
- Every structure of UniProt Q15596
- Elsewhere: RCSB PDB 4Q0A · PDBe 4Q0A · UniProt Q9PTN2 · UniProt Q15596
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.