4U01
HCV NS3/4A serine protease in complex with 6570
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, E... (A, B, C, D, E...) | Non-structural 3 protease | polymer | 203 | 21461.8 | 9 | UniProt (A6N4J4) Pfam (PF02907) UniProt (by SIFTS) (Q9WMX2) | Hepatitis C virus (isolate Con1) | |
| 2 | J, K, L, M, N... (K, L, M, N, O...) | NS4A protein | polymer | 16 | 1686.1 | 9 | UniProt (F0UY39) | Hepatitis C virus | |
| 3 | CA, FA, HA, KA, MA... (E, F, G, H, J...) | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide | non-polymer | 768.9 | 9 | Chemie (39W) | |||
| 4 | AA, DA, GA, IA, LA... (D, E, F, G, H...) | ZINC ION | non-polymer | 65.4 | 9 | Chemie (ZN) | |||
| 5 | BA, EA, JA, W (D, E, G, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) |
Sequence modifications
A, B, C, D, E, F, G, H, J: 1 - 180 (UniProt: A6N4J4)
K, L, M, N, O, P, Q, T, U: 221 - 234 (UniProt: F0UY39)
| PDB | External Database | Details |
|---|---|---|
| Met 0 | - | initiating methionine |
| Arg 26 | Lys 26 | conflict |
| Ala 181 | - | expression tag |
| Ser 182 | - | expression tag |
| Lys 183 | - | expression tag |
| Lys 184 | - | expression tag |
| Lys 185 | - | expression tag |
| Lys 186 | - | expression tag |
| Lys 187 | - | expression tag |
| Gly 188 | - | expression tag |
| Ser 189 | - | expression tag |
| Val 190 | - | expression tag |
| Val 191 | - | expression tag |
| Ile 192 | - | expression tag |
| Val 193 | - | expression tag |
| Gly 194 | - | expression tag |
| Arg 195 | - | expression tag |
| Ile 196 | - | expression tag |
| Ile 197 | - | expression tag |
| Leu 198 | - | expression tag |
| Ser 199 | - | expression tag |
| Gly 200 | - | expression tag |
| Arg 201 | - | expression tag |
| Lys 202 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Lys 220 | - | expression tag |
| Lys 235 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 18 |
| Total formula weight | 208331.3 | |
| Non-Polymers* | Number of molecules | 22 |
| Total formula weight | 7650.8 | |
| All* | Total formula weight | 215982.1 |
