MolNFT v1 · #84104 · protein
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 7,8-cis-1A,25-dihydroxy-19-norvitamin D3
3X36 · Vitamin D3 receptor: “Crystal structure of the human vitamin D receptor ligand binding domain complexed with…”. X-ray diffraction, 1 ligand (41W), 1 pocket (best druggability 0.86). MolNFT v1 #84104 on GenesisL1: 3D structure…
- PDB
- 3X36
- Type
- protein
- Length
- 254 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Vitamin D3 receptor
- UniProt
- P11473
- Ligands
- 41W
- Pockets
- 1 · 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 | 254 | 65% helix, 3% strand | P11473 |
Ligands and binding sites
- 41W · (1R,3R)-5-[(2Z)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket 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 | 0.95 | 34 | 41W |
Compared structures
- 3X36 · Crystal structure of the human vitamin D receptor ligand binding domain complexed with… · 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 3X36 · PDBe 3X36 · UniProt P11473
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