MolNFT v1 · #156096 · protein
HSP90 in complex with kw-2478
6LT8 · Heat shock protein HSP 90-alpha: “HSP90 in complex with kw-2478”. X-ray diffraction, 1 ligand (ET3), 1 pocket (best druggability 0.60). MolNFT v1 #156096 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6LT8
- Type
- protein
- Length
- 211 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
- ET3
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein HSP 90-alpha | protein | 211 | 42% helix, 23% strand | P07900 |
Ligands and binding sites
- ET3 · 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy) phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide · 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 | 233 | 0.60 | 0.80 | 26 | ET3 |
Compared structures
- 6LT8 · HSP90 in complex with KW-2478 · 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 6LT8 · PDBe 6LT8 · UniProt P07900
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