8Z1H
Crystal structure of SARS main protease in complex with PF-00835231
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) | 3C-like proteinase nsp5 | polymer | 296 | 32878.5 | 2 | UniProt (P0DTC1) Pfam (PF05409) | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV SARS-CoV-2) | 3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase |
| 2 | C, D (A, B) | N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | non-polymer | 474.6 | 2 | Chemie (V2M) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 75 | Chemie (HOH) |
Sequence modifications
A, B: 4 - 299 (UniProt: P0DTC1)
| PDB | External Database | Details |
|---|---|---|
| Thr 35 | Val 3298 | conflict |
| Ser 65 | Asn 3328 | conflict |
| Leu 86 | Val 3349 | conflict |
| Arg 88 | Lys 3351 | conflict |
| Ser 94 | Ala 3357 | conflict |
| His 134 | Phe 3397 | conflict |
| Lys 180 | Asn 3443 | conflict |
| Leu 202 | Val 3465 | conflict |
| Ala 267 | Ser 3530 | conflict |
| Thr 285 | Ala 3548 | conflict |
| Ile 286 | Leu 3549 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 65757.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 949.1 | |
| All* | Total formula weight | 66706.2 |
