MolNFT v1 · #10025 · protein
Crystal structure of the nuclear receptor for vitamin D ligand binding domain bound to MC1288
1IE9 · Vitamin D3 receptor: “Crystal structure of the nuclear receptor for vitamin D ligand binding domain bound to MC1288”. X-ray diffraction, 1 ligand (VDX), 2 pockets (best druggability 0.86). MolNFT v1 #10025 on GenesisL1: 3D…
- PDB
- 1IE9
- 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
- VDX
- 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
- VDX · 5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7A-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol · ligand · 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 | 297 | 0.86 | 0.96 | 36 | VDX |
| 2 | 53 | 0.26 | 0.74 | 16 | empty |
Compared structures
- 1IE9 · Crystal Structure Of The Nuclear Receptor For Vitamin D Ligand Binding Domain Bound to… · 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 1IE9 · PDBe 1IE9 · UniProt P11473
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