Research workbench
Crystal structure of the rat androgen receptor ligand binding domain complex with bms-564929
Analyse Crystal structure of the rat androgen receptor ligand binding domain complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2NW4
- Type
- protein
- Length
- 248 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Androgen receptor
- UniProt
- P15207
- Ligands
- 8NH
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 64% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Androgen receptor | protein | 248 | 64% helix, 5% strand | P15207 |
Ligands and binding sites
- 8NH · 2-chloro-4-[(7r,7as)-7-hydroxy-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-2(3H)-yl]-3-methylbenzonitrile · 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 | 119 | 0.79 | 0.97 | 22 | 8NH |
| 2 | 99 | 0.54 | 0.83 | 24 | empty |
Compared structures
- 2NW4 · Crystal Structure of the Rat Androgen Receptor Ligand Binding Domain Complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P15207 · AlphaFold monomer V2.0 prediction for androgen receptor (P15207) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P15207
- Elsewhere: RCSB PDB 2NW4 · PDBe 2NW4 · UniProt P15207
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