7K0H
1.70 A resolution structure of SARS-CoV 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5)
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Replicase polyprotein 1a | polymer | 310 | 34460.3 | 2 | UniProt (P0C6U8) Pfam (PF05409) In PDB | Human SARS coronavirus (SARS-CoV) | pp1a,ORF1a polyprotein |
2 | A | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
3 | A, B | N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide | non-polymer | 538.6 | 2 | Chemie (VR4) | |||
4 | B | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
5 | water | water | 18.0 | 298 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 303 (UniProt: P0C6U8)
PDB | External Database | Details |
---|---|---|
Met -6 | - | expression tag |
His -5 | - | expression tag |
His -4 | - | expression tag |
His -3 | - | expression tag |
His -2 | - | expression tag |
His -1 | - | expression tag |
His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 68920.6 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 1342.4 | |
All* | Total formula weight | 70263.0 |