6ASP
Structure of Grp94 with methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, a Grp94-selective inhibitor and promising therapeutic lead for treating myocilin-associated glaucoma
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Endoplasmin | polymer | 233 | 26187.6 | 2 | UniProt (P41148) Pfam (PF13589) | Canis lupus familiaris (Dog) | 94 kDa glucose-regulated protein, GRP-94, Heat shock protein 90 kDa beta member 1 |
| 2 | C, D, E, F, G... (A, B) | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL | non-polymer | 326.4 | 17 | Chemie (P33) | |||
| 3 | P, V (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 4 | Q, W (A, B) | methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate | non-polymer | 430.9 | 2 | Chemie (V2C) | |||
| 5 | X, Y (A, B) | water | water | 18.0 | 37 | 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 | 21 |
| Total formula weight | 6594.5 | |
| All* | Total formula weight | 58969.7 |
