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Crystal structure of mutant Androgen Receptor ligand binding domain L702H/H875Y/F877L with DHT

Analyse Crystal structure of mutant Androgen Receptor 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
8FGZ
Type
protein
Length
243 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.61
Source
Homo sapiens
Molecule
Androgen receptor
UniProt
P10275
Ligands
DHT, SO4
Pockets
3 · best druggability 0.82

Structure

x-ray diffraction · resolution 1.61 · 1 distinct chain · 69% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAndrogen receptorprotein24369% helix, 5% strandP10275

Ligands and binding sites

  • DHT · 5-alpha-dihydrotestosterone · ligand · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11700.820.9722DHT
21630.640.8525SO4
3810.350.7514empty

Compared structures

  • P10275 · AlphaFold monomer V2.0 prediction for androgen receptor (P10275) · a predicted model of the same protein · chain A against A, TM-score 0.98

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