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MolNFT v1 · #102282 · protein

Crystal structure of T877A-ar-lbd bound with co-regulator peptide

4OH5 · Androgen receptor: “Crystal structure of T877A-ar-lbd bound with co-regulator peptide”. X-ray diffraction, 2 ligands (HFT, SO4), 2 pockets (best druggability 0.81). MolNFT v1 #102282 on GenesisL1: 3D structure, binding sites and…

PDB
4OH5
Type
protein
Length
251 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Androgen receptor; Co-regulator peptide
UniProt
P10275
Ligands
HFT, SO4
Pockets
2 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 69% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAndrogen receptorprotein24269% helix, 5% strandP10275
BCo-regulator peptideprotein978% helix, 0% strand—

Ligands and binding sites

  • HFT · Hydroxyflutamide · ligand · chains A
  • SO4 · Sulfate ion · ion · 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
11290.810.9822HFT
21530.640.8624empty

Interfaces

1 interface between chains.

  • A–B · 454 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 4OH5 · Crystal structure of T877A-AR-LBD bound with co-regulator peptide · 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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