Research workbench
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
Analyse Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WI6
- Type
- protein
- Length
- 208 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.18
- Source
- HOMO SAPIENS
- Molecule
- Heat shock protein, HSP90-alpha
- UniProt
- P07900
- Ligands
- ZZ6
- Pockets
- 1 · best druggability 0.62
Structure
x-ray diffraction · resolution 2.18 · 1 distinct chain · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein, HSP90-alpha | protein | 208 | 40% helix, 24% strand | P07900 |
Ligands and binding sites
- ZZ6 · 2-amino-4-(2,4-dichlorophenyl)-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide · 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 | 197 | 0.62 | 0.83 | 26 | ZZ6 |
Compared structures
- 2WI6 · Orally active 2-amino thienopyrimidine inhibitors of the HSP90 chaperone · the same entry in another collection · chain A against A, TM-score 1.00
- P07900 · AlphaFold monomer V2.0 prediction for heat shock protein HSP 90-alpha (P07900) · a predicted model of the same protein · chain A against A, TM-score 0.83
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 P07900
- Elsewhere: RCSB PDB 2WI6 · PDBe 2WI6 · UniProt P07900
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