3KEE
HCV NS3/NS4A complexed with Non-covalent macrocyclic compound TMC435
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D | Genome polyprotein | polymer | 190 | 20150.9 | 4 | UniProt (P90191) Pfam (PF02907) In PDB | Hepatitis C virus | |
2 | E, F, G, H | 19-mer peptide from Genome polyprotein | polymer | 23 | 2394.0 | 4 | UniProt (Q6GYR8) Pfam (PF01006) In PDB | Hepatitis C virus | |
3 | A, B, C, D | (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide | non-polymer | 749.9 | 4 | Chemie (30B) | |||
4 | A, B, C, D | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
5 | C, D | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
6 | water | water | 18.0 | 49 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 180 (UniProt: P90191)
E, F, G, H: 21 - 39 (UniProt: Q6GYR8)
PDB | External Database | Details |
---|---|---|
Met 0 | - | expression tag |
Ser 181 | - | expression tag |
Gly 182 | - | expression tag |
Ser 183 | - | expression tag |
His 184 | - | expression tag |
His 185 | - | expression tag |
His 186 | - | expression tag |
His 187 | - | expression tag |
His 188 | - | expression tag |
His 189 | - | expression tag |
PDB | External Database | Details |
---|---|---|
Lys 19 | - | expression tag |
Lys 20 | - | expression tag |
Lys 40 | - | expression tag |
Lys 41 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 8 |
Total formula weight | 90179.9 | |
Non-Polymers* | Number of molecules | 10 |
Total formula weight | 3445.6 | |
All* | Total formula weight | 93625.5 |