MolNFT v1 · #77659 · protein
Crystal structure of the androgen receptor ligand binding domain in complex with sarm S-22
3RLJ: “Crystal structure of the androgen receptor ligand binding domain in complex with sarm S-22”. X-ray diffraction, 1 ligand (RLJ), 2 pockets (best druggability 0.83). MolNFT v1 #77659 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3RLJ
- Type
- protein
- Length
- 247 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Androgen receptor
- UniProt
- P10275
- Ligands
- RLJ
- Pockets
- 2 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Androgen receptor | protein | 247 | 68% helix, 5% strand | P10275 |
Ligands and binding sites
- RLJ · (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide · 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 | 166 | 0.83 | 0.97 | 30 | RLJ |
| 2 | 136 | 0.62 | 0.85 | 23 | empty |
Compared structures
- 3RLJ · Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-22 · the same entry in another collection · chain A against A, TM-score 1.00
- P10275 · AlphaFold monomer V2.0 prediction for androgen receptor (P10275) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 3RLJ · PDBe 3RLJ · UniProt P10275
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.