MolNFT v1 · #64353 · protein
Crystal structure of the rat androgen receptor ligand binding domain complex with an N-aryl-oxazolidin 2-imine inhibitor
3G0W: “Crystal structure of the rat androgen receptor ligand binding domain complex with an N-aryl-oxazolidin…”. X-ray diffraction, 1 ligand (LGB), 1 pocket (best druggability 0.79). MolNFT v1 #64353 on GenesisL1: 3D structure, binding…
- PDB
- 3G0W
- Type
- protein
- Length
- 249 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Androgen receptor
- UniProt
- P15207
- Ligands
- LGB
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Androgen receptor | protein | 249 | 68% helix, 5% strand | P15207 |
Ligands and binding sites
- LGB · 2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met hylbenzonitrile · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 244 | 0.79 | 0.92 | 46 | LGB |
Compared structures
- 3G0W · Crystal structure of the rat androgen receptor ligand binding domain complex with an… · 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 0.99
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 P15207
- Elsewhere: RCSB PDB 3G0W · PDBe 3G0W · UniProt P15207
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