4WMD
Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup C2221
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 (A, B, C) | ORF1a | polymer | 306 | 33322.1 | 3 | UniProt (W6A941) Pfam (PF05409) | Middle East respiratory syndrome coronavirus | |
| 2 | D, F, I (A, B, C) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 3 | Chemie (PEG) | |||
| 3 | E, J (A, C) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 2 | Chemie (PGE) | |||
| 4 | G (B) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 5 | H (C) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 6 | K, L, M (A, B, C) | water | water | 18.0 | 284 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 306 (UniProt: W6A941)
| PDB | External Database | Details |
|---|---|---|
| Ala 148 | Cys 3395 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 99966.3 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1051.2 | |
| All* | Total formula weight | 101017.5 |
