MolNFT v1 · #125938 · protein
HSP90 with indazole derivative
5LO1 · Heat shock protein HSP 90-alpha: “HSP90 with indazole derivative”. X-ray diffraction, 1 ligand (70L), 2 pockets (best druggability 0.69). MolNFT v1 #125938 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5LO1
- Type
- protein
- Length
- 192 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
- 70L
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein HSP 90-alpha | protein | 192 | 41% helix, 25% strand | P07900 |
Ligands and binding sites
- 70L · 1-[2-Amino-4-(1,3-dihydro-isoindole-2-carbonyl)-quinazolin-6-yl]-cyclobutanecarboxylic acid ethylamide · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 305 | 0.69 | 0.83 | 36 | 70L |
| 2 | 57 | 0.39 | 0.80 | 11 | empty |
Compared structures
- 5LO1 · HSP90 WITH indazole derivative · 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 5LO1 · PDBe 5LO1 · UniProt P07900
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