6VDM
HCV NS3/4A protease A156T, D168E double mutant in complex with glecaprevir
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 protein 4A, Serine protease NS3 | polymer | 203 | 21563.4 | 1 | UniProt (P26664) Pfam (PF02907) In PDB | Hepatitis C virus genotype 1a (isolate 1) (HCV) | |
| 2 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | A | (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide | non-polymer | 838.9 | 1 | Chemie (O31) | |||
| 4 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | A | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 6 | water | water | 18.0 | 190 | Chemie (HOH) |
Sequence modifications
A: 990 - 1000 (UniProt: P26664)
A: 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 1156 | Ala 1182 | engineered mutation |
| Glu 1168 | Asp 1194 | engineered mutation |
| Ser 1174 | Asn 1200 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 21563.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1284.6 | |
| All* | Total formula weight | 22848.0 |
