6ASQ
Structure of Grp94 bound to methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate, a pan-Hsp90 inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Endoplasmin | polymer | 233 | 26187.6 | 2 | UniProt (P41148) Pfam (PF13589) In PDB | Canis lupus familiaris (Dog) | 94 kDa glucose-regulated protein, GRP-94, Heat shock protein 90 kDa beta member 1 |
| 2 | A, B | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL | non-polymer | 370.4 | 13 | Chemie (PE8) | |||
| 3 | A, B | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 3 | Chemie (PEG) | |||
| 4 | A, B | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 5 | A, B | methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate | non-polymer | 397.9 | 2 | Chemie (VC4) | |||
| 6 | water | water | 18.0 | 78 | Chemie (HOH) |
Sequence modifications
A, B: 69 - 286 (UniProt: P41148)
A, B: 328 - 337 (UniProt: P41148)
| PDB | External Database | Details |
|---|---|---|
| Ser 68 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 324 | - | linker |
| Gly 325 | - | linker |
| Gly 326 | - | linker |
| Gly 327 | - | linker |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 52375.2 | |
| Non-Polymers* | Number of molecules | 22 |
| Total formula weight | 6298.1 | |
| All* | Total formula weight | 58673.3 |
