MolNFT v1 · #104788 · protein
Crystal structure of androgen receptor in complex with the ligand
4QL8: “Crystal structure of androgen receptor in complex with the ligand”. X-ray diffraction, 1 ligand (JAD), 2 pockets (best druggability 0.81). MolNFT v1 #104788 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QL8
- Type
- protein
- Length
- 240 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Androgen receptor
- UniProt
- P10275
- Ligands
- JAD
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Androgen receptor | protein | 240 | 69% helix, 5% strand | P10275 |
Ligands and binding sites
- JAD · 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 145 | 0.81 | 0.97 | 22 | JAD |
| 2 | 114 | 0.56 | 0.84 | 26 | empty |
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 4QL8 · PDBe 4QL8 · UniProt P10275
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