6CVX
Crystal structure of HCV NS3/4A WT protease in complex with AJ-50 (MK-5172 linear analogue)
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 | 201 | 21335.2 | 1 | UniProt (A0A0B4WYC6) Pfam (PF02907) In PDB | Hepacivirus C | |
2 | A | N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-L-prolinamide | non-polymer | 782.9 | 1 | Chemie (FH4) | |||
3 | A | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
4 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
5 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
6 | water | water | 18.0 | 214 | Chemie (HOH) |
Sequence modifications
A: 1004 - 1180 (UniProt: A0A0B4WYC6)
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 |
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 |
Ser 1047 | Cys 47 | conflict |
Leu 1052 | Cys 52 | conflict |
Thr 1072 | Ile 72 | conflict |
Gln 1086 | Pro 86 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 21335.2 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 1132.6 | |
All* | Total formula weight | 22467.8 |