1DY9
Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (inhibitor I)
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) | PROTEASE/HELICASE NS3 (P70) | polymer | 187 | 19749.6 | 2 | UniProt (Q81755) Pfam (PF02907) UniProt (by SIFTS) (P26662) | HEPATITIS C VIRUS (ISOLATE TAIWAN) | |
| 2 | C, D (C, D) | NONSTRUCTURAL PROTEIN NS4A (P4) | polymer | 16 | 1686.1 | 2 | UniProt (Q81755) UniProt (by SIFTS) (P26662) | HEPATITIS C VIRUS | |
| 3 | E, F (A, B) | N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide | non-polymer | 509.5 | 2 | BIRD (PRD_000426) Chemie (2ZF) | |||
| 4 | G (B) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 5 | H, I, J, K (A, B, C, D) | water | water | 18.0 | 213 | Chemie (HOH) |
Sequence modifications
C, D: 220 - 235 (UniProt: Q81755)
| PDB | External Database | Details |
|---|---|---|
| Lys 220 | Thr 955 | engineered mutation |
| Lys 235 | Pro 970 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 42871.3 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1084.4 | |
| All* | Total formula weight | 43955.7 |
