6C2M
Crystal structure of HCV NS3/4A protease variant Y56H in complex with MK-5172
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D | NS3 protease | polymer | 197 | 20854.6 | 4 | UniProt (C1KIK8) Pfam (PF02907) In PDB | Hepatitis C virus | |
2 | A, B, C, D | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
3 | A, B, C, D | (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide | non-polymer | 766.9 | 4 | Chemie (SUE) | |||
4 | C | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
5 | water | water | 18.0 | 209 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1004 - 1179 (UniProt: C1KIK8)
PDB | External Database | Details |
---|---|---|
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 | 4 |
Total formula weight | 83418.5 | |
Non-Polymers* | Number of molecules | 9 |
Total formula weight | 3425.3 | |
All* | Total formula weight | 86843.9 |