MolNFT v1 · #48094 · protein
Androgen receptor lbd with small molecule
2PIP: “Androgen receptor lbd with small molecule”. X-ray diffraction, 4 ligands (DHT, ICO, K10), 1 pocket (best druggability 0.82). MolNFT v1 #48094 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2PIP
- 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
- DHT, ICO, K10, SO4
- Pockets
- 1 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 66% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Androgen receptor | protein | 249 | 66% helix, 5% strand | P10275 |
Ligands and binding sites
- DHT · 5-alpha-dihydrotestosterone · ligand · chains L
- ICO · 1H-indole-3-carboxylic acid · ligand · chains L
- K10 · 1-tert-butyl-3-(2,5-dimethylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine · ligand · chains L
- SO4 · Sulfate ion · ion · 3 copies · chains L
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 302 | 0.82 | 0.92 | 42 | DHT |
Compared structures
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 2PIP · PDBe 2PIP · UniProt P10275
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