9WO2
Crystal structure of SARS-Cov-2 main protease in complex with Telaprevir
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) | Replicase polyprotein 1ab | polymer | 354 | 39065.6 | 2 | UniProt (P0DTD1) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2) | pp1ab,ORF1ab polyprotein |
| 2 | C, D (A, B) | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide | non-polymer | 681.9 | 2 | BIRD (PRD_002448) Chemie (SV6) PubChem (59235547) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 204 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 307 (UniProt: P0DTD1)
| PDB | External Database | Details |
|---|---|---|
| Gly 308 | - | expression tag |
| Phe 309 | - | expression tag |
| Arg 310 | - | expression tag |
| Lys 311 | - | expression tag |
| Met 312 | - | expression tag |
| Ala 313 | - | expression tag |
| Phe 314 | - | expression tag |
| Pro 315 | - | expression tag |
| Ser 316 | - | expression tag |
| Gly 317 | - | expression tag |
| Lys 318 | - | expression tag |
| Val 319 | - | expression tag |
| Glu 320 | - | expression tag |
| Gly 321 | - | expression tag |
| Cys 322 | - | expression tag |
| Met 323 | - | expression tag |
| Val 324 | - | expression tag |
| Gln 325 | - | expression tag |
| Val 326 | - | expression tag |
| Thr 327 | - | expression tag |
| Cys 328 | - | expression tag |
| Gly 329 | - | expression tag |
| Thr 330 | - | expression tag |
| Thr 331 | - | expression tag |
| Thr 332 | - | expression tag |
| Leu 333 | - | expression tag |
| Asn 334 | - | expression tag |
| Gly 335 | - | expression tag |
| Leu 336 | - | expression tag |
| Trp 337 | - | expression tag |
| Leu 338 | - | expression tag |
| Asp 339 | - | expression tag |
| Asp 340 | - | expression tag |
| Val 341 | - | expression tag |
| Val 342 | - | expression tag |
| Tyr 343 | - | expression tag |
| Cys 344 | - | expression tag |
| Pro 345 | - | expression tag |
| Arg 346 | - | expression tag |
| His 347 | - | expression tag |
| Val 348 | - | expression tag |
| Ile 349 | - | expression tag |
| Cys 350 | - | expression tag |
| Thr 351 | - | expression tag |
| Ser 352 | - | expression tag |
| Glu 353 | - | expression tag |
| Asp 354 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 78131.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1363.7 | |
| All* | Total formula weight | 79494.8 |
