8TF0
Crystal structure of Grp94 N-terminal domain bound to the purine inhibitor PU-H36
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (B, A, C, D) | Endoplasmin | polymer | 236 | 26514.0 | 4 | UniProt (P41148) Pfam (PF13589) | Canis lupus familiaris (dog) | 94 kDa glucose-regulated protein,GRP-94,Heat shock protein 90 kDa beta member 1 |
| 2 | E, EA, FA, GA, H... (B, D, A) | MAGNESIUM ION | non-polymer | 24.3 | 11 | Chemie (MG) | |||
| 3 | BA, F, P, Y (D, B, A, C) | 9-(pent-4-yn-1-yl)-8-[(2,4,6-trimethylphenyl)sulfanyl]-9H-purin-6-amine | non-polymer | 351.5 | 4 | Chemie (ZUY) | |||
| 4 | CA, G, Q, R (D, B, A) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 5 | AA, IA, J, JA, K... (C, D, B, A) | SULFATE ION | non-polymer | 96.1 | 13 | Chemie (SO4) | |||
| 6 | DA (D) | MANGANESE (II) ION | non-polymer | 54.9 | 1 | Chemie (MN) | |||
| 7 | LA, MA, NA, OA (B, A, C, D) | water | water | 18.0 | 61 | Chemie (HOH) |
Sequence modifications
B, A, C, D: 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 | 4 |
| Total formula weight | 106056.0 | |
| Non-Polymers* | Number of molecules | 33 |
| Total formula weight | 3345.4 | |
| All* | Total formula weight | 109401.4 |
