3HEK
HSP90 N-terminal domain in complex with 1-{4-[(2R)-1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]benzyl}-3,3-difluoropyrrolidinium
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Heat shock protein HSP 90-alpha | polymer | 226 | 25582.8 | 2 | UniProt (P07900) Pfam (PF13589) In PDB | Homo sapiens (human) | HSP 86, Renal carcinoma antigen NY-REN-38 |
2 | A, B | [(2~{R})-2-[4-[[3,3-bis(fluoranyl)pyrrolidin-1-yl]methyl]phenyl]pyrrolidin-1-yl]-[5-chloranyl-2,4-bis(oxidanyl)phenyl]methanone | non-polymer | 436.9 | 2 | Chemie (BD0) | |||
3 | A | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
4 | water | water | 18.0 | 187 | Chemie (HOH) |
Sequence modifications
A, B: 9 - 225 (UniProt: P07900)
PDB | External Database | Details |
---|---|---|
Met 8 | - | expression tag |
Leu 226 | - | expression tag |
Glu 227 | - | expression tag |
His 228 | - | expression tag |
His 229 | - | expression tag |
His 230 | - | expression tag |
His 231 | - | expression tag |
His 232 | - | expression tag |
His 233 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 51165.7 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 968.7 | |
All* | Total formula weight | 52134.4 |