4A1T
Co-Complex of the of NS3-4A protease with the inhibitory peptide CP5- 46-A (in-House data)
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | NONSTRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3 | polymer | 203 | 21385.4 | 2 | UniProt (P26662) Pfam (PF02907) In PDB | HEPATITIS C VIRUS | NS3-4A PROTEASE, NS4A, HEPACIVIRIN, NS3P, P70 |
2 | C, D | CP5-46-A PEPTIDE | polymer | 21 | 2304.6 | 2 | SYNTHETIC CONSTRUCT | ||
3 | A | BICARBONATE ION | non-polymer | 61.0 | 1 | Chemie (BCT) | |||
4 | A, B | POTASSIUM ION | non-polymer | 39.1 | 4 | Chemie (K) | |||
5 | A, B | CHLORIDE ION | non-polymer | 35.5 | 9 | Chemie (CL) | |||
6 | A | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
7 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
8 | B | 2,3-DIHYDROXY-1,4-DITHIOBUTANE | non-polymer | 154.3 | 1 | Chemie (DTT) | |||
9 | water | water | 18.0 | 217 | Chemie (HOH) |
Sequence modifications
A, B: -14 - -2 (UniProt: P26662)
A, B: 2 - 180 (UniProt: P26662)
PDB | External Database | Details |
---|---|---|
Gly 181 | - | expression tag |
Ser 182 | - | expression tag |
His 183 | - | expression tag |
His 184 | - | expression tag |
His 185 | - | expression tag |
His 186 | - | expression tag |
His 187 | - | expression tag |
His 188 | - | expression tag |
PDB | External Database | Details |
---|---|---|
Lys -1 | - | linker |
Gly 0 | - | linker |
Gly 1 | - | linker |
Arg 26 | Lys 1052 | SEE REMARK 999 |
Glu 30 | Asp 1056 | SEE REMARK 999 |
Val 36 | Leu 1062 | SEE REMARK 999 |
Gln 86 | Pro 1112 | SEE REMARK 999 |
Leu 94 | Met 1120 | SEE REMARK 999 |
Ile 114 | Val 1140 | variant |
Val 132 | Ile 1158 | variant |
Ala 150 | Val 1176 | SEE REMARK 999 |
Val 170 | Ile 1196 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 47380.0 | |
Non-Polymers* | Number of molecules | 20 |
Total formula weight | 1097.8 | |
All* | Total formula weight | 48477.8 |