6P6S
HCV NS3/4A protease domain of genotype 3a 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 (A) | Non-structural protein 4A,Serine protease NS3 | polymer | 203 | 21174.9 | 1 | UniProt (Q81258) | Hepatitis C virus genotype 3a (isolate NZL1) (HCV) | |
| 2 | B (A) | Glecaprevir | non-polymer | 838.9 | 1 | Chemie (O31) | |||
| 3 | C, D, E (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 4 | F (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 5 | G (A) | water | water | 18.0 | 92 | Chemie (HOH) |
Sequence modifications
A: 990 - 1000 (UniProt: Q81258)
A: 1004 - 1182 (UniProt: Q81258)
| 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 |
| His 986 | - | expression tag |
| Lys 987 | - | expression tag |
| Lys 988 | - | expression tag |
| Lys 989 | - | expression tag |
| Arg 997 | His 1691 | engineered mutation |
| Asn 999 | Glu 1693 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ser 1001 | - | linker |
| Gly 1002 | - | linker |
| Asp 1003 | - | linker |
| Glu 1013 | Leu 1045 | engineered mutation |
| Glu 1014 | Leu 1046 | engineered mutation |
| Gln 1017 | Ile 1049 | engineered mutation |
| Glu 1018 | Val 1050 | engineered mutation |
| Gln 1021 | Leu 1053 | engineered mutation |
| Tyr 1134 | Cys 1166 | engineered mutation |
| Ser 1159 | Cys 1191 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 21174.9 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1090.5 | |
| All* | Total formula weight | 22265.4 |
