2XDU
Structure of HSP90 with small molecule inhibitor bound
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | HEAT SHOCK PROTEIN HSP 90-ALPHA | polymer | 236 | 26424.8 | 1 | UniProt (P07900) Pfam (PF13589) | HOMO SAPIENS (HUMAN) | HEAT SHOCK 86 KDA, HSP 86, HSP86, RENAL CARCINOMA ANTIGEN NY-REN-38, HSP90 |
| 2 | B (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 3 | C (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 4 | D (A) | PYRIMIDIN-2-AMINE | non-polymer | 95.1 | 1 | Chemie (LGA) | |||
| 5 | E (A) | 1-CHLORO-4-METHYLPHTHALAZINE | non-polymer | 178.6 | 1 | Chemie (MT0) | |||
| 6 | F (A) | water | water | 18.0 | 231 | Chemie (HOH) |
Sequence modifications
A: 14 - 224 (UniProt: P07900)
| PDB | External Database | Details |
|---|---|---|
| Met -11 | - | expression tag |
| Gly -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Ser -8 | - | expression tag |
| His -7 | - | expression tag |
| His -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| Ser -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Gly 1 | - | expression tag |
| Leu 2 | - | expression tag |
| Val 3 | - | expression tag |
| Pro 4 | - | expression tag |
| Arg 5 | - | expression tag |
| Gly 6 | - | expression tag |
| Ser 7 | - | expression tag |
| His 8 | - | expression tag |
| Met 9 | - | expression tag |
| Asp 10 | - | expression tag |
| Gln 11 | - | expression tag |
| Pro 12 | - | expression tag |
| Met 13 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 26424.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 376.2 | |
| All* | Total formula weight | 26801.0 |
