6P6V
HCV NS3/4A protease domain of genotype 5a 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 | 21370.4 | 1 | UniProt (O91936) | Hepatitis C virus genotype 5a (isolate SA13) (HCV) | |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) PubChem (312) | |||
| 4 | D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 5 | E (A) | Glecaprevir | non-polymer | 838.9 | 1 | Chemie (O31) PubChem (56947796) PubChem (66828839) PubChem (76470875) PubChem (126500293) PubChem (129635886) PubChem (138106598) PubChem (156758105) PubChem (169503089) PubChem (135001637) PubChem (138107849) PubChem (138991601) PubChem (154809629) PubChem (156610561) PubChem (156963402) PubChem (162567290) PubChem (162569936) | |||
| 6 | F (A) | water | water | 18.0 | 225 | Chemie (HOH) |
Sequence modifications
A: 990 - 1000 (UniProt: O91936)
A: 1004 - 1182 (UniProt: O91936)
| 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 |
| PDB | External Database | Details |
|---|---|---|
| Ser 1001 | - | linker |
| Gly 1002 | - | linker |
| Asp 1003 | - | linker |
| Glu 1013 | Val 1040 | engineered mutation |
| Glu 1014 | Leu 1041 | engineered mutation |
| Gln 1017 | Ile 1044 | engineered mutation |
| Glu 1018 | Ile 1045 | engineered mutation |
| Gln 1021 | Leu 1048 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 21370.4 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1001.8 | |
| All* | Total formula weight | 22372.2 |
