MolNFT v1 · #27609 · protein
Crystal structure of the human androgen receptor ligand binding domain bound with an androgen receptor NH2-terminal peptide, AR20-30, and R1881
1XOW: “Crystal structure of the human androgen receptor ligand binding domain bound with an androgen receptor…”. X-ray diffraction, 1 ligand (R18), 3 pockets (best druggability 0.83). MolNFT v1 #27609 on GenesisL1: 3D structure, binding…
- PDB
- 1XOW
- Type
- protein
- Length
- 253 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Androgen receptor; Decamer fragment of androgen receptor
- UniProt
- P10275
- Ligands
- R18
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 70% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Androgen receptor | protein | 243 | 69% helix, 5% strand | P10275 |
| B | Decamer fragment of androgen receptor | protein | 10 | 80% helix, 0% strand | P10275 |
Ligands and binding sites
- R18 · (17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 157 | 0.83 | 0.98 | 21 | R18 |
| 2 | 153 | 0.64 | 0.85 | 25 | empty |
| 3 | 55 | 0.27 | 0.73 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 508 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1XOW · Crystal structure of the human androgen receptor ligand binding domain bound with an… · 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 1XOW · PDBe 1XOW · UniProt P10275
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