MolNFT v1 · #22462 · protein
Crystal structure of the androgen receptor ligand binding domain (lbd) with dht and a peptide derived from its physiological coactivator ARA70
1T5Z: “Crystal structure of the androgen receptor ligand binding domain (lbd) with dht and a peptide derived from…”. X-ray diffraction, 1 ligand (DHT), 3 pockets (best druggability 0.84). MolNFT v1 #22462 on GenesisL1: 3D structure…
- PDB
- 1T5Z
- Type
- protein
- Length
- 261 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Androgen receptor; Nuclear receptor coactivator 4
- UniProt
- P10275, Q13772
- Ligands
- DHT
- Pockets
- 3 · 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 | 250 | 68% helix, 5% strand | P10275 |
| B | Nuclear receptor coactivator 4 | protein | 11 | 64% helix, 0% strand | Q13772 |
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
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 | 181 | 0.84 | 0.97 | 23 | DHT |
| 2 | 151 | 0.60 | 0.83 | 26 | empty |
| 3 | 63 | 0.29 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 598 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1T5Z · Crystal Structure of the Androgen Receptor Ligand Binding Domain (LBD) with DHT and a… · 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
- Q13772 · AlphaFold monomer V2.0 prediction for nuclear receptor coactivator 4 (Q13772) · a predicted model of the same protein · chain B against A, TM-score 0.76
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 Q13772
- Elsewhere: RCSB PDB 1T5Z · PDBe 1T5Z · UniProt P10275 · UniProt Q13772
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