Research workbench
Crystal structure of the nuclear receptor for vitamin D ligand binding domain bound to KH1060
Analyse Crystal structure of the nuclear receptor for vitamin D ligand binding domain… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1IE8
- Type
- protein
- Length
- 250 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Vitamin D3 receptor
- UniProt
- P11473
- Ligands
- KH1
- Pockets
- 2 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Vitamin D3 receptor | protein | 250 | 67% helix, 3% strand | P11473 |
Ligands and binding sites
- KH1 · 5-(2-{1-[1-(4-ethyl-4-hydroxy-hexyloxy)-ethyl]-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 | 309 | 0.86 | 0.96 | 37 | KH1 |
| 2 | 69 | 0.31 | 0.75 | 15 | empty |
Compared structures
- 1IE8 · 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 0.95
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 1IE8 · PDBe 1IE8 · UniProt P11473
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