3ZZD
Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 85
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | 3C PROTEINASE | polymer | 183 | 20317.3 | 1 | UniProt (Q90092) Pfam (PF00548) UniProt (by SIFTS) (Q5UEA2) In PDB | HUMAN COXSACKIEVIRUS | POLYPROTEIN 3BCD |
| 2 | A | N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | non-polymer | 652.8 | 1 | Chemie (G85) | |||
| 3 | water | water | 18.0 | 56 | Chemie (HOH) |
Sequence modifications
A: 1 - 183 (UniProt: Q90092)
| PDB | External Database | Details |
|---|---|---|
| Ala 68 | Thr 81 | engineered mutation |
| Tyr 126 | Asn 139 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 20317.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 652.8 | |
| All* | Total formula weight | 20970.1 |
