6AOL
Structure of molecular chaperone Grp94 bound to selective inhibitor methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Endoplasmin | polymer | 233 | 26187.6 | 1 | UniProt (P41148) Pfam (PF13589) | Canis lupus familiaris (Dog) | 94 kDa glucose-regulated protein, GRP-94, Heat shock protein 90 kDa beta member 1 |
| 2 | B (A) | methyl 3-chloro-2-(2-{2-[(4-fluorophenyl)methyl]phenyl}ethyl)-4,6-dihydroxybenzoate | non-polymer | 414.9 | 1 | Chemie (VC1) | |||
| 3 | C, D, E, F (A) | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL | non-polymer | 326.4 | 4 | Chemie (P33) | |||
| 4 | G (A) | water | water | 18.0 | 7 | Chemie (HOH) |
Sequence modifications
A: 69 - 286 (UniProt: P41148)
A: 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 | 1 |
| Total formula weight | 26187.6 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1720.4 | |
| All* | Total formula weight | 27908.0 |
