5EQS
Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Asunaprevir
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | NS3 protease | polymer | 192 | 20303.0 | 1 | UniProt (C1KIK8) Pfam (PF02907) UniProt (by SIFTS) (A0A0B4WYC6) In PDB | Hepatitis C virus | |
2 | A | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide | non-polymer | 748.3 | 1 | Chemie (2R9) | |||
3 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
4 | water | water | 18.0 | 33 | Chemie (HOH) |
Sequence modifications
A: 1004 - 1179 (UniProt: C1KIK8)
PDB | External Database | Details |
---|---|---|
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 | conflict |
Glu 1014 | Leu 14 | conflict |
Gln 1017 | Ile 17 | conflict |
Glu 1018 | Ile 18 | conflict |
Gln 1021 | Leu 21 | conflict |
Thr 1040 | Ala 40 | conflict |
Ser 1047 | Cys 47 | conflict |
Leu 1052 | Cys 52 | conflict |
Thr 1072 | Ile 72 | conflict |
Gln 1086 | Pro 86 | conflict |
Thr 1123 | Arg 123 | engineered mutation |
Leu 1132 | Ile 132 | engineered mutation |
Gln 1168 | Asp 168 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 20303.0 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 813.7 | |
All* | Total formula weight | 21116.6 |