Research workbench
Crystal structure of HSP90-alpha N-domain bound to the inhibitor nvp- HSP990
Analyse Crystal structure of HSP90-alpha N-domain bound to the inhibitor nvp- HSP990 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4W7T
- 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
- 3JC
- Pockets
- 1 · best druggability 0.65
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
- 3JC · (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one · 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 | 278 | 0.65 | 0.82 | 33 | 3JC |
Compared structures
- 4W7T · Crystal Structure of Hsp90-alpha N-domain Bound to the Inhibitor NVP-HSP990 · 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 4W7T · PDBe 4W7T · UniProt P07900
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