MolNFT v1 · #99204 · protein
Crystal structure of the human HSP90-alpha N-domain bound to the HSP90 inhibitor FJ6
4LWI · Heat shock protein HSP 90-alpha: “Crystal structure of the human HSP90-alpha N-domain bound to the HSP90 inhibitor FJ6”. X-ray diffraction, 1 ligand (FJ6), 1 pocket (best druggability 0.61). MolNFT v1 #99204 on GenesisL1: 3D…
- PDB
- 4LWI
- Type
- protein
- Length
- 207 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
- FJ6
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Heat shock protein HSP 90-alpha | protein | 207 | 43% helix, 23% strand | P07900 |
Ligands and binding sites
- FJ6 · N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide · 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 | 190 | 0.61 | 0.82 | 23 | FJ6 |
Compared structures
- 4LWI · Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6 · 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 4LWI · PDBe 4LWI · UniProt P07900
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