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Human androgen receptor in complex with AF2 small molecule inhibitor

Analyse Human androgen receptor in complex with AF2 small molecule inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2YHD
Type: protein
Length: 249 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Androgen receptor
UniProt: P10275
Ligands: TES, AV6, SO4
Pockets: 2 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 66% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Androgen receptor	protein	249	66% helix, 5% strand	P10275

Ligands and binding sites

TES · Testosterone · ligand · chains A
AV6 · 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	173	0.83	0.97	21	TES
2	126	0.65	0.88	21	empty

Compared structures

2YHD · Human androgen receptor in complex with AF2 small molecule inhibitor · 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

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 P10275
Elsewhere: RCSB PDB 2YHD · PDBe 2YHD · UniProt P10275

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