4O0B
Identification of novel HSP90/isoform selective inhibitors using structure-based drug design. Demonstration of potential utility in treating CNS disorders such as Huntington's disease
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Heat shock protein HSP 90-alpha | polymer | 233 | 26183.4 | 1 | UniProt (P07900) Pfam (PF13589) In PDB | Homo sapiens (human) | Heat shock 86 kDa, HSP 86, HSP86, Renal carcinoma antigen NY-REN-38 |
2 | A | 8-cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydroisoquinolin-1(2H)-one | non-polymer | 390.5 | 1 | Chemie (2QA) | |||
3 | water | water | 18.0 | 152 | Chemie (HOH) |
Sequence modifications
A: 9 - 236 (UniProt: P07900)
PDB | External Database | Details |
---|---|---|
Gly 4 | - | expression tag |
Ser 5 | - | expression tag |
Leu 6 | - | expression tag |
His 7 | - | expression tag |
Met 8 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 26183.4 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 390.5 | |
All* | Total formula weight | 26573.9 |