8SSV
Crystal structure of Grp94 N-terminal domain bound to the purine inhibitor PU-H71.
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 | 236 | 26514.0 | 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, H (A, B) | 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE | non-polymer | 512.4 | 2 | Chemie (H71) | |||
| 3 | D, E, F, K (A, B) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 4 | Chemie (PG4) | |||
| 4 | G, I, P (A, B) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 5 | J, O (B) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 6 | L, M (B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 7 | N (B) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 8 | Q, R (A, B) | water | water | 18.0 | 197 | Chemie (HOH) |
Sequence modifications
A, B: 69 - 337 (UniProt: P41148)
| PDB | External Database | Details |
|---|---|---|
| Gly 65 | - | expression tag |
| Ser 66 | - | expression tag |
| His 67 | - | expression tag |
| Met 68 | - | expression tag |
| - | Glu 287 | deletion |
| - | Thr 288 | deletion |
| - | Val 289 | deletion |
| - | Glu 290 | deletion |
| - | Glu 291 | deletion |
| - | Pro 292 | deletion |
| - | Met 293 | deletion |
| - | Glu 294 | deletion |
| - | Glu 295 | deletion |
| - | Glu 296 | deletion |
| - | Glu 297 | deletion |
| - | Ala 298 | deletion |
| - | Ala 299 | deletion |
| - | Lys 300 | deletion |
| - | Glu 301 | deletion |
| - | Glu 302 | deletion |
| - | Lys 303 | deletion |
| - | Glu 304 | deletion |
| - | Asp 305 | deletion |
| - | Ser 306 | deletion |
| - | Asp 307 | deletion |
| - | Asp 308 | deletion |
| - | Glu 309 | deletion |
| - | Ala 310 | deletion |
| - | Ala 311 | deletion |
| - | Val 312 | deletion |
| - | Glu 313 | deletion |
| - | Glu 314 | deletion |
| - | Glu 315 | deletion |
| - | Glu 316 | deletion |
| - | Glu 317 | deletion |
| - | Glu 318 | deletion |
| - | Lys 319 | deletion |
| - | Lys 320 | deletion |
| - | Pro 321 | deletion |
| - | Lys 322 | deletion |
| - | Thr 323 | deletion |
| Gly 324 | Lys 324 | conflict |
| Gly 325 | Lys 325 | conflict |
| Gly 326 | Val 326 | conflict |
| Gly 327 | Glu 327 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 53028.0 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 2276.5 | |
| All* | Total formula weight | 55304.5 |
