MolNFT v1 · #66726 · protein
Crystal structure of HSP90 with fragments 37-D04 and 42-C03
3HZ1 · Heat shock protein HSP 90-alpha: “Crystal structure of HSP90 with fragments 37-D04 and 42-C03”. X-ray diffraction, 2 ligands (42C, 37D), 1 pocket (best druggability 0.69). MolNFT v1 #66726 on GenesisL1: 3D structure, binding sites…
- PDB
- 3HZ1
- Type
- protein
- Length
- 208 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock protein HSP 90-alpha
- UniProt
- P07900
- Ligands
- 42C, 37D
- Pockets
- 1 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein HSP 90-alpha | protein | 208 | 44% helix, 23% strand | P07900 |
Ligands and binding sites
- 42C · N,N-dimethyl-7H-purin-6-amine · ligand · chains A
- 37D · methyl 5-furan-2-yl-3-methyl-1H-pyrazole-4-carboxylate · 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 | 314 | 0.69 | 0.83 | 35 | 42C, 37D |
Compared structures
- 3HZ1 · Crystal structure of Hsp90 with fragments 37-D04 and 42-C03 · 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 3HZ1 · PDBe 3HZ1 · UniProt P07900
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