MolNFT v1 · #27572 · protein

Crystal structure of the rat androgen receptor ligand binding domain T877A mutant complex with (3A-alpha-,4-alpha 7-alpha-,7A-alpha-)-3A, 4,7,7A-tetrahydro-2-(4-nitro-1-naphthalenyl)-4,7-ethano-1H-isoindole- 1,3(2H)-dione.

1XNN: “Crystal structure of the rat androgen receptor ligand binding domain T877A mutant complex with…”. X-ray diffraction, 1 ligand (HYQ), 1 pocket (best druggability 0.80). MolNFT v1 #27572 on GenesisL1: 3D structure, binding sites and…

PDB: 1XNN
Type: protein
Length: 247 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Androgen receptor
UniProt: P15207
Ligands: HYQ
Pockets: 1 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Androgen receptor	protein	247	67% helix, 5% strand	P15207

Ligands and binding sites

HYQ · Rel-(3ar,4s,7r,7as)-3A,4,7,7A-tetrahydro-2-(4-nitro-1-naphthalenyl)-4,7-ethano-1H-isoindole-1,3(2H)-dione · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	279	0.80	0.91	43	HYQ

Compared structures

1XNN · Crystal structure of the rat androgen receptor ligand binding domain T877A mutant complex… · the same entry in another collection · chain A against A, TM-score 1.00
P15207 · AlphaFold monomer V2.0 prediction for androgen receptor (P15207) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P15207
Elsewhere: RCSB PDB 1XNN · PDBe 1XNN · UniProt P15207

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