6C2O
Crystal structure of HCV NS3/4A protease variant Y56H in complex with danoprevir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | NS3 protease | polymer | 198 | 20992.8 | 1 | UniProt (C1KIK8) Pfam (PF02907) In PDB | Hepatitis C virus | |
| 2 | A | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate | non-polymer | 729.8 | 1 | Chemie (TSV) | |||
| 3 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 4 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | water | water | 18.0 | 240 | Chemie (HOH) |
Sequence modifications
A: 1004 - 1179 (UniProt: C1KIK8)
| PDB | External Database | Details |
|---|---|---|
| His 982 | - | expression tag |
| Met 983 | - | expression tag |
| Ala 984 | - | expression tag |
| Ser 985 | - | expression tag |
| Met 986 | - | expression tag |
| Lys 987 | - | expression tag |
| Lys 988 | - | expression tag |
| 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 |
| Glu 1013 | Leu 13 | engineered mutation |
| Glu 1014 | Leu 14 | engineered mutation |
| Gln 1017 | Ile 17 | engineered mutation |
| Glu 1018 | Ile 18 | engineered mutation |
| Gln 1021 | Leu 21 | engineered mutation |
| Thr 1040 | Ala 40 | engineered mutation |
| Ser 1047 | Cys 47 | engineered mutation |
| Leu 1052 | Cys 52 | engineered mutation |
| His 1056 | Tyr 56 | engineered mutation |
| Thr 1072 | Ile 72 | engineered mutation |
| Gln 1086 | Pro 86 | engineered mutation |
| Ser 1159 | Cys 159 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 20992.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 887.3 | |
| All* | Total formula weight | 21880.1 |
