2YEI
HSP90 inhibitors and drugs from fragment and virtual screening
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 | 252 | 28532.9 | 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 | METHYL 5-ISOXAZOL-5-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE | non-polymer | 207.2 | 1 | Chemie (XQK) | |||
3 | A | METHYL 2-(3,5-DIHYDROXYPHENYL)ETHANOATE | non-polymer | 182.2 | 1 | Chemie (XQI) | |||
4 | water | water | 18.0 | 246 | Chemie (HOH) |
Sequence modifications
A: 9 - 236 (UniProt: P07900)
PDB | External Database | Details |
---|---|---|
Met -15 | - | expression tag |
Gly -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
His -9 | - | expression tag |
His -8 | - | expression tag |
His -7 | - | expression tag |
His -6 | - | expression tag |
His -5 | - | expression tag |
His -4 | - | expression tag |
Ser -3 | - | expression tag |
Ser -2 | - | expression tag |
Gly -1 | - | expression tag |
His 0 | - | expression tag |
Ile 1 | - | expression tag |
Asp 2 | - | expression tag |
Asp 3 | - | expression tag |
Ala 4 | - | expression tag |
Asp 5 | - | expression tag |
Lys 6 | - | expression tag |
His 7 | - | expression tag |
Met 8 | - | expression tag |
His 16 | Glu 16 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 28532.9 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 389.4 | |
All* | Total formula weight | 28922.3 |