MolNFT v1 · #102381 · protein
Crystal structure of W741L-ar-lbd bound with co-regulator peptide
4OK1 · Androgen receptor: “Crystal structure of W741L-ar-lbd bound with co-regulator peptide”. X-ray diffraction, 1 ligand (198), 2 pockets (best druggability 0.84). MolNFT v1 #102381 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4OK1
- Type
- protein
- Length
- 258 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Androgen receptor; Co-regulator peptide
- UniProt
- P10275
- Ligands
- 198
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 68% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Androgen receptor | protein | 249 | 67% helix, 5% strand | P10275 |
| B | Co-regulator peptide | protein | 9 | 78% helix, 0% strand | — |
Ligands and binding sites
- 198 · R-bicalutamide · 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 | 199 | 0.84 | 0.97 | 27 | 198 |
| 2 | 146 | 0.63 | 0.85 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 438 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
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 4OK1 · PDBe 4OK1 · UniProt P10275
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