6FE6
Solution structure of a last generation P2-P4 macrocyclic inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Non-structural 3 protease | polymer | 165 | 17445.0 | 1 | UniProt (A6N4I5) Pfam (PF02907) In PDB | Hepatitis C virus subtype 1b | |
| 2 | A | (3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide | non-polymer | 776.0 | 1 | Chemie (4P2) | |||
| 3 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) |
Sequence modifications
A: 22 - 181 (UniProt: A6N4I5)
| PDB | External Database | Details |
|---|---|---|
| Ala 181 | Ser 181 | conflict |
| 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 | 1 |
| Total formula weight | 17445.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 841.4 | |
| All* | Total formula weight | 18286.3 |
