2H6M
An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Picornain 3C | polymer | 212 | 23288.8 | 1 | UniProt (P06441) Pfam (PF00548) UniProt (by SIFTS) (P08617) In PDB | Hepatitis A virus | Protease 3C, P3C |
| 2 | I | N-ACETYL-LEUCYL-ALANYL-ALANYL-(N,N-DIMETHYL)-GLUTAMINE-(1,4-DIOXO-3,4-DIHYDRO-1H-PHTHALAZIN-2-YL)METHYLKETONE INHIBITOR | polymer | 6 | 471.6 | 1 | BIRD (PRD_000423) | AC-LAAQMM-PMK | |
| 3 | A | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | non-polymer | 223.2 | 1 | Chemie (BBL) | |||
| 4 | water | water | 18.0 | 263 | Chemie (HOH) |
Sequence modifications
A: 1 - 212 (UniProt: P06441)
| PDB | External Database | Details |
|---|---|---|
| Ser 24 | Cys 1543 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 23760.4 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 223.2 | |
| All* | Total formula weight | 23983.6 |
