3P8N
Crystal structure of HCV NS3/NS4A protease complexed with 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) | 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) PubChem (923) | |||
| 4 | F, H (A, B) | N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-L-prolinamide | non-polymer | 869.8 | 2 | BIRD (PRD_000845) Chemie (L4T) PubChem (42601552) PubChem (46178275) PubChem (46926357) PubChem (46212782) PubChem (71300931) PubChem (71588937) PubChem (71738655) PubChem (74816650) PubChem (70701990) PubChem (71588578) PubChem (71738654) PubChem (71761603) PubChem (87080799) PubChem (89114935) PubChem (89960664) PubChem (130333538) PubChem (134694373) PubChem (138110650) PubChem (168310314) | |||
| 5 | I, J, K, L (A, B, C, D) | water | water | 18.0 | 176 | 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 | 1785.6 | |
| All* | Total formula weight | 44743.4 |
