MolNFT v1 · #102341 · protein
Crystal structure of T877A-ar-lbd bound with co-regulator peptide
4OIU · Androgen receptor: “Crystal structure of T877A-ar-lbd bound with co-regulator peptide”. X-ray diffraction, 1 ligand (HFT), 4 pockets (best druggability 0.81). MolNFT v1 #102341 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4OIU
- Type
- protein
- Length
- 249 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Androgen receptor; Co-regulator peptide
- UniProt
- P10275
- Ligands
- HFT
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Androgen receptor | protein | 242 | 67% helix, 4% strand | P10275 |
| B | Co-regulator peptide | protein | 7 | 71% helix, 0% strand | — |
Ligands and binding sites
- HFT · Hydroxyflutamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 136 | 0.81 | 0.98 | 23 | HFT |
| 2 | 144 | 0.59 | 0.83 | 24 | empty |
| 3 | 56 | 0.41 | 0.81 | 10 | empty |
| 4 | 51 | 0.28 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 474 Ų buried · 4 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 4OIU · PDBe 4OIU · UniProt P10275
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.