3P8O
Crystal structure of HCV NS3/NS4A protease complexed with des-bromine analogue of BI 201335
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) | HCV serine protease NS3 | polymer | 186 | 19663.6 | 2 | UniProt (P26662) Pfam (PF02907) | Hepatitis C virus (HCV) | |
| 2 | C, D (C, D) | HCV non-structural protein 4A | polymer | 17 | 1815.3 | 2 | UniProt (by SIFTS) (P26662) | ||
| 3 | E, G (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 4 | F, H (A, B) | N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide | non-polymer | 790.9 | 2 | BIRD (PRD_000849) Chemie (L5T) | |||
| 5 | I, J, K (A, B, C) | water | water | 18.0 | 66 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 180 (UniProt: P26662)
| PDB | External Database | Details |
|---|---|---|
| Ile 114 | Val 1140 | SEE REMARK 999 |
| Val 132 | Ile 1158 | SEE REMARK 999 |
| Ala 181 | - | expression tag |
| Ser 182 | - | expression tag |
| Lys 183 | - | expression tag |
| Lys 184 | - | expression tag |
| Lys 185 | - | expression tag |
| Lys 186 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 42957.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1627.8 | |
| All* | Total formula weight | 44585.7 |
