MolNFT v1 · #74855 · protein
Synthesis, structure, and biological activity of des-side chain analogues of 1ALPHA,25-dihydroxyvitamin D3 with substituents at C-18
3P8X · Vitamin D3 receptor: “Synthesis, structure, and biological activity of des-side chain analogues of 1ALPHA,25-dihydroxyvitamin D3…”. X-ray diffraction, 2 ligands (ZYD, SO4), 2 pockets (best druggability 0.86). MolNFT v1 #74855 on…
- PDB
- 3P8X
- Type
- protein
- Length
- 255 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Vitamin D3 receptor
- UniProt
- P11473
- Ligands
- ZYD, SO4
- Pockets
- 2 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Vitamin D3 receptor | protein | 255 | 65% helix, 3% strand | P11473 |
Ligands and binding sites
- ZYD · (1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
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 | 301 | 0.86 | 0.96 | 36 | ZYD |
| 2 | 70 | 0.31 | 0.74 | 18 | empty |
Compared structures
- 3P8X · Synthesis, Structure, and Biological Activity of des-Side Chain Analogues of… · the same entry in another collection · chain A against A, TM-score 1.00
- P11473 · AlphaFold monomer V2.0 prediction for vitamin D3 receptor (P11473) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P11473
- Elsewhere: RCSB PDB 3P8X · PDBe 3P8X · UniProt P11473
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