MolNFT v1 · #56095 · protein
Crystal structure of ar lbd with shp peptide nr box 2
2Z4J · Androgen receptor: “Crystal structure of ar lbd with shp peptide nr box 2”. X-ray diffraction, 1 ligand (DHT), 2 pockets (best druggability 0.84). MolNFT v1 #56095 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2Z4J
- Type
- protein
- Length
- 258 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Androgen receptor; Nuclear receptor 0B2
- UniProt
- P10275, Q15466
- Ligands
- DHT
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 66% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Androgen receptor | protein | 248 | 67% helix, 5% strand | P10275 |
| B | Nuclear receptor 0B2 | protein | 10 | 50% helix, 0% strand | Q15466 |
Ligands and binding sites
- DHT · 5-alpha-dihydrotestosterone · 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 | 180 | 0.84 | 0.97 | 21 | DHT |
| 2 | 167 | 0.63 | 0.84 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 464 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2Z4J · Crystal structure of AR LBD with SHP peptide NR Box 2 · 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
- Q15466 · AlphaFold monomer V2.0 prediction for nuclear receptor subfamily 0 group B member 2… · a predicted model of the same protein · chain B against A, TM-score 0.73
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
- Every structure of UniProt Q15466
- Elsewhere: RCSB PDB 2Z4J · PDBe 2Z4J · UniProt P10275 · UniProt Q15466
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