2OBQ
Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C | Hepatitis C virus | polymer | 200 | 21233.2 | 2 | UniProt (Q9ELS8) Pfam (PF02907) UniProt (by SIFTS) (P27958) In PDB | Hepatitis C virus | |
| 2 | B, D | Hepatitis C virus | polymer | 23 | 2410.1 | 2 | UniProt (P27958) Pfam (PF01006) In PDB | ||
| 3 | A, C | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | water | water | 18.0 | 161 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 181 (UniProt: Q9ELS8)
B, D: 21 - 39 (UniProt: P27958)
| PDB | External Database | Details |
|---|---|---|
| Met -10 | - | cloning artifact |
| Ala -9 | - | cloning artifact |
| Ser -8 | - | cloning artifact |
| Met -7 | - | cloning artifact |
| Thr -6 | - | cloning artifact |
| Gly -5 | - | cloning artifact |
| Gly -4 | - | cloning artifact |
| Gln -3 | - | cloning artifact |
| Gln -2 | - | cloning artifact |
| Met -1 | - | cloning artifact |
| Gly 0 | - | cloning artifact |
| Arg 119 | Gln 1145 | conflict |
| Gly 182 | - | cloning artifact |
| Ser 183 | - | cloning artifact |
| His 184 | - | expression tag |
| His 185 | - | expression tag |
| His 186 | - | expression tag |
| His 187 | - | expression tag |
| His 188 | - | expression tag |
| His 189 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Lys 19 | - | cloning artifact |
| Lys 20 | - | cloning artifact |
| Lys 40 | - | cloning artifact |
| Lys 41 | - | cloning artifact |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 47286.7 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 130.8 | |
| All* | Total formula weight | 47417.5 |
