MolNFT v1 · #40162 · protein

Crystal structure of the rat androgen receptor ligand binding domian complex with an N-aryl- hydroxybicyclohydantoin

2IHQ: “Crystal structure of the rat androgen receptor ligand binding domian complex with an N-aryl…”. X-ray diffraction, 1 ligand (LG7), 1 pocket (best druggability 0.77). MolNFT v1 #40162 on GenesisL1: 3D structure, binding sites and…

PDB: 2IHQ
Type: protein
Length: 248 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Androgen receptor
UniProt: P15207
Ligands: LG7
Pockets: 1 · best druggability 0.77

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Androgen receptor	protein	248	66% helix, 5% strand	P15207

Ligands and binding sites

LG7 · 4-[(7r,7as)-7-hydroxy-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]-1-naphthonitrile · 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	252	0.77	0.90	41	LG7

Compared structures

2IHQ · Crystal Structure of the Rat Androgen Receptor Ligand Binding Domian Complex with an… · 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 2IHQ · PDBe 2IHQ · UniProt P15207

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