MolNFT v1 · #22513 · protein
Crystal structure of the androgen receptor ligand binding domain in complex with a lxxll motif
1T7F: “Crystal structure of the androgen receptor ligand binding domain in complex with a lxxll motif”. X-ray diffraction, 1 ligand (DHT), 3 pockets (best druggability 0.83). MolNFT v1 #22513 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1T7F
- Type
- protein
- Length
- 258 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Androgen receptor; Lxxll motif peptide
- UniProt
- O97775
- Ligands
- DHT
- Pockets
- 3 · best druggability 0.83
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 | O97775 |
| B | Lxxll motif peptide | protein | 8 | 75% helix, 0% strand | — |
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 | 164 | 0.83 | 0.98 | 21 | DHT |
| 2 | 157 | 0.63 | 0.85 | 26 | empty |
| 3 | 58 | 0.27 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 501 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1T7F · Crystal structure of the androgen receptor ligand binding domain in complex with a LxxLL… · the same entry in another collection · chain A against A, TM-score 1.00
- O97775 · AlphaFold monomer V2.0 prediction for androgen receptor (O97775) · 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 O97775
- Elsewhere: RCSB PDB 1T7F · PDBe 1T7F · UniProt O97775
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