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MolNFT v1 · #102357 · protein

Crystal structure of W741L-ar-lbd

4OJB · Androgen receptor: “Crystal structure of W741L-ar-lbd”. X-ray diffraction, 1 ligand (198), 2 pockets (best druggability 0.84). MolNFT v1 #102357 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4OJB
Type
protein
Length
240 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Androgen receptor
UniProt
P10275
Ligands
198
Pockets
2 · best druggability 0.84

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AAndrogen receptorprotein24069% helix, 5% strandP10275

Ligands and binding sites

  • 198 · R-bicalutamide · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11940.840.9727198
21440.620.8526empty

Compared structures

  • 4OJB · Crystal structure of W741L-AR-LBD · the same entry in another collection · chain A against A, TM-score 1.00
  • P10275 · AlphaFold monomer V2.0 prediction for androgen receptor (P10275) · a predicted model of the same protein · chain A against A, TM-score 0.99

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