2A4Q
HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, C | NS3 protease/helicase' | polymer | 200 | 21233.2 | 2 | UniProt (Q91RS4) Pfam (PF02907) In PDB | Hepatitis C virus | |
2 | B, D | NS4a peptide | polymer | 23 | 2394.0 | 2 | UniProt (O39914) Pfam (PF01006) In PDB | ||
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 | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID | non-polymer | 745.9 | 1 | Chemie (FNH) | |||
6 | water | water | 18.0 | 169 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 181 (UniProt: Q91RS4)
B, D: 21 - 39 (UniProt: O39914)
PDB | External Database | Details |
---|---|---|
Met -10 | - | cloning artifact |
Ala -9 | - | cloning artifact |
Ser -8 | - | cloning artifact |
Met -7 | - | cloning artifact |
Thr -6 | - | cloning artifact |
Gly -5 | - | cloning artifact |
Gly -4 | - | cloning artifact |
Gln -3 | - | cloning artifact |
Gln -2 | - | cloning artifact |
Met -1 | - | cloning artifact |
Gly 0 | - | cloning artifact |
Gly 182 | - | cloning artifact |
Ser 183 | - | cloning artifact |
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 | - | cloning artifact |
Lys 20 | - | cloning artifact |
Ser 22 | Cys 576 | engineered mutation |
Lys 40 | - | cloning artifact |
Lys 41 | - | cloning artifact |
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 | 954.9 | |
All* | Total formula weight | 48209.4 |