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Crystal structure of the human androgen receptor ligand binding domain bound with R1881

Analyse Crystal structure of the human androgen receptor ligand binding domain bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1XQ3
Type: protein
Length: 243 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Androgen receptor
UniProt: P10275
Ligands: R18
Pockets: 2 · best druggability 0.82

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Androgen receptor	protein	243	69% helix, 5% strand	P10275

Ligands and binding sites

R18 · (17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	152	0.82	0.97	21	R18
2	153	0.65	0.86	24	empty

Compared structures

1XQ3 · Crystal structure of the human androgen receptor ligand binding domain bound with R1881 · 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 1XQ3 · PDBe 1XQ3 · UniProt P10275

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