2OBO
Structure of HEPATITIS C VIRAL NS3 protease domain complexed with NS4A peptide and ketoamide SCH476776
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, C | HCV NS3 protease | polymer | 200 | 21233.2 | 2 | UniProt (Q91RS4) Pfam (PF02907) In PDB | Hepatitis C virus | |
2 | B, D | HCV NS4A peptide | polymer | 23 | 2394.0 | 2 | UniProt (Q9QP06) Pfam (PF01006) In PDB | Hepatitis C virus | |
3 | A, C | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
4 | A | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 1 | Chemie (BME) | |||
5 | A | tert-butyl {(2S)-1-[(1R,2S,5S)-2-{[(2S,3R)-4-amino-1-cyclopropyl-3-hydroxy-4-oxobutan-2-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hex-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | non-polymer | 508.7 | 1 | BIRD (PRD_000958) Chemie (HUD) | |||
6 | water | water | 18.0 | 135 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 181 (UniProt: Q91RS4)
B, D: 21 - 39 (UniProt: Q9QP06)
PDB | External Database | Details |
---|---|---|
Met -10 | - | expression tag |
Ala -9 | - | expression tag |
Ser -8 | - | expression tag |
Met -7 | - | expression tag |
Thr -6 | - | expression tag |
Gly -5 | - | expression tag |
Gly -4 | - | expression tag |
Gln -3 | - | expression tag |
Gln -2 | - | expression tag |
Met -1 | - | expression tag |
Gly 0 | - | expression tag |
Thr 40 | Ala 40 | conflict |
Ser 91 | Ala 91 | conflict |
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 | 4 |
Total formula weight | 47254.5 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 717.6 | |
All* | Total formula weight | 47972.1 |