MolNFT v1 · #111235 · protein
Heat shock protein 90 bound to CS312
4YKW · Heat shock protein HSP 90-alpha: “Heat shock protein 90 bound to CS312”. X-ray diffraction, 1 ligand (4ES), 2 pockets (best druggability 0.82). MolNFT v1 #111235 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4YKW
- Type
- protein
- Length
- 426 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein HSP 90-alpha
- UniProt
- P07900
- Ligands
- 4ES
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Heat shock protein HSP 90-alpha | protein | 213 | 43% helix, 23% strand | P07900 |
Ligands and binding sites
- 4ES · 4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine · ligand · 2 copies · chains A, B
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 | 1073 | 0.82 | 0.83 | 109 | 4ES |
| 2 | 59 | 0.67 | 0.95 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 856 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4YKW · Heat Shock Protein 90 Bound to CS312 · the same entry in another collection · chain A against A, TM-score 1.00
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 4YKW · PDBe 4YKW · UniProt P07900
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.