4WF8
Crystal structure of NS3/4A protease in complex with Asunaprevir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | NS3 protein | polymer | 192 | 20255.9 | 1 | UniProt (X2G809) Pfam (PF02907) | Hepatitis C virus | |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 4 | D (A) | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide | non-polymer | 748.3 | 1 | Chemie (2R9) | |||
| 5 | E (A) | water | water | 18.0 | 243 | Chemie (HOH) |
Sequence modifications
A: 1004 - 1180 (UniProt: X2G809)
| PDB | External Database | Details |
|---|---|---|
| Lys 989 | - | expression tag |
| Gly 990 | - | expression tag |
| Ser 991 | - | expression tag |
| Val 992 | - | expression tag |
| Val 993 | - | expression tag |
| Ile 994 | - | expression tag |
| Val 995 | - | expression tag |
| Gly 996 | - | expression tag |
| Arg 997 | - | expression tag |
| Ile 998 | - | expression tag |
| Asn 999 | - | expression tag |
| Leu 1000 | - | expression tag |
| Ser 1001 | - | expression tag |
| Gly 1002 | - | expression tag |
| Asp 1003 | - | expression tag |
| Ala 1013 | Leu 13 | conflict |
| Ala 1014 | Leu 14 | conflict |
| Ala 1015 | Gly 15 | conflict |
| Gln 1017 | Ile 17 | conflict |
| Glu 1018 | Ile 18 | conflict |
| Gln 1021 | Leu 21 | conflict |
| Ser 1047 | Cys 47 | conflict |
| Leu 1052 | Cys 52 | conflict |
| Thr 1072 | Ile 72 | conflict |
| Gln 1086 | Pro 86 | conflict |
| Arg 1155 | Lys 155 | conflict |
| Ser 1159 | Cys 159 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 20255.9 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 849.1 | |
| All* | Total formula weight | 21105.1 |
