MolNFT v1 · #81831 · protein
Structure of ar lbd with activator peptide and sarm inhibitor 2
3V4A · Androgen receptor: “Structure of ar lbd with activator peptide and sarm inhibitor 2”. X-ray diffraction, 2 ligands (PK1, SO4), 1 pocket (best druggability 0.81). MolNFT v1 #81831 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3V4A
- Type
- protein
- Length
- 255 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Androgen receptor
- UniProt
- P10275
- Ligands
- PK1, SO4
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Androgen receptor | protein | 244 | 68% helix, 5% strand | P10275 |
| B | Androgen receptor | protein | 11 | 73% helix, 0% strand | P10275 |
Ligands and binding sites
- PK1 · (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one · ligand · chains A
- SO4 · Sulfate ion · ion · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 296 | 0.81 | 0.92 | 42 | PK1 |
Interfaces
1 interface between chains.
- A–B · 565 Ų buried · 6 hydrogen bonds · protein-protein
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 3V4A · PDBe 3V4A · UniProt P10275
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