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Crystal structure analysis of vitamin D receptor

Analyse Crystal structure analysis of vitamin D receptor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3W0C
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
6DS
Pockets
2 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 66% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVitamin D3 receptorprotein25066% helix, 3% strandP11473

Ligands and binding sites

  • 6DS · (4S)-4-hydroxy-5-[2-methyl-4-(3-{3-methyl-4-[(1E)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-en-1-yl]phenyl}pentan-3-yl)phenoxy]pentanoic acid · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13060.860.96336DS
2550.290.7512empty

Compared structures

  • 3W0C · Crystal Structure Analysis of Vitamin D receptor · 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

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