6P6Q
HCV NS3/4A protease domain of genotype 1a3a chimera in complex with grazoprevir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Non-structural protein 4A,Serine protease NS3 | polymer | 203 | 21460.3 | 2 | UniProt (P26664) Pfam (PF02907) In PDB | Hepatitis C virus genotype 1a (isolate 1) (HCV) | |
| 2 | A, B | (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 | 2 | Chemie (SUE) | |||
| 3 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | A | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 2 | Chemie (MES) | |||
| 5 | A, B | SULFATE ION | non-polymer | 96.1 | 7 | Chemie (SO4) | |||
| 6 | water | water | 18.0 | 52 | Chemie (HOH) |
Sequence modifications
A, B: 990 - 1000 (UniProt: P26664)
A, B: 1004 - 1182 (UniProt: P26664)
| PDB | External Database | Details |
|---|---|---|
| Gly 980 | - | expression tag |
| Ser 981 | - | expression tag |
| 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 |
| Ser 991 | Cys 1679 | engineered mutation |
| Ile 998 | Val 1686 | engineered mutation |
| Asn 999 | Val 1687 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ser 1001 | - | linker |
| Gly 1002 | - | linker |
| Asp 1003 | - | linker |
| Glu 1013 | Leu 1039 | engineered mutation |
| Glu 1014 | Leu 1040 | engineered mutation |
| Gln 1017 | Ile 1043 | engineered mutation |
| Glu 1018 | Ile 1044 | engineered mutation |
| Gln 1021 | Leu 1047 | engineered mutation |
| Thr 1040 | Ala 1066 | engineered mutation |
| Ser 1047 | Cys 1073 | engineered mutation |
| Leu 1052 | Cys 1078 | engineered mutation |
| Thr 1072 | Ile 1098 | engineered mutation |
| Lys 1080 | Gln 1106 | engineered mutation |
| Gln 1086 | Pro 1112 | engineered mutation |
| Thr 1123 | Arg 1149 | engineered mutation |
| Leu 1132 | Ile 1158 | engineered mutation |
| Ser 1159 | Cys 1185 | engineered mutation |
| Gln 1168 | Asp 1194 | engineered mutation |
| Ser 1174 | Asn 1200 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 42920.6 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 2727.5 | |
| All* | Total formula weight | 45648.1 |
