6P6Z
HCV NS3/4A protease domain of genotype 4a with an extended linker 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 | 21145.0 | 1 | UniProt (O39929) Pfam (PF02907) In PDB | Hepatitis C virus genotype 4a (isolate ED43) (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 | water | water | 18.0 | 78 | Chemie (HOH) |
Sequence modifications
A: 990 - 1000 (UniProt: O39929)
A: 1000 - 1182 (UniProt: O39929)
PDB | External Database | Details |
---|---|---|
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 1000 | - | linker |
Gly 1000 | - | linker |
Gly 1000 | - | linker |
Ser 1000 | - | linker |
Gly 1000 | - | linker |
Asp 1000 | - | linker |
Glu 1000 | Leu 1039 | engineered mutation |
Glu 1000 | Phe 1040 | engineered mutation |
Gln 1000 | Ile 1043 | engineered mutation |
Glu 1000 | Val 1044 | engineered mutation |
Gln 1000 | Leu 1047 | engineered mutation |
Ser 1054 | Thr 1080 | engineered mutation |
Gly 1061 | Ala 1087 | engineered mutation |
Lys 1092 | Arg 1118 | engineered mutation |
Thr 1095 | Ala 1121 | engineered mutation |
Ala 1101 | Ser 1127 | engineered mutation |
Ser 1102 | Ala 1128 | engineered mutation |
Val 1114 | Ile 1140 | engineered mutation |
Thr 1134 | Ile 1160 | engineered mutation |
Val 1150 | Arg 1176 | engineered mutation |
Leu 1153 | Ile 1179 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 21145.0 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 904.3 | |
All* | Total formula weight | 22049.3 |