MolNFT v1 · #95546 · protein
Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1ALPHA,25-dihydroxy-2ALPHA-[2-(2H-tetrazol-2- YL)ETHYL]VITAMIN D3
4ITE · Vitamin D3 receptor: “Crystal structure of the human vitamin D receptor ligand binding domain complexed with…”. X-ray diffraction, 1 ligand (TEY), 1 pocket (best druggability 0.86). MolNFT v1 #95546 on GenesisL1: 3D structure…
- PDB
- 4ITE
- Type
- protein
- Length
- 253 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Vitamin D3 receptor
- UniProt
- P11473
- Ligands
- TEY
- 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 | 253 | 65% helix, 3% strand | P11473 |
Ligands and binding sites
- TEY · (1R,2S,3S,5Z)-5-[(2E)-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]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]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 | 302 | 0.86 | 0.95 | 36 | TEY |
Compared structures
- 4ITE · 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
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 4ITE · PDBe 4ITE · UniProt P11473
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