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2A4Q

HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, CNS3 protease/helicase'polymer20021233.22UniProt (Q91RS4)
Pfam (PF02907)
In PDB
Hepatitis C virus
2B, DNS4a peptidepolymer232394.02UniProt (O39914)
Pfam (PF01006)
In PDB
3A, CZINC IONnon-polymer65.42Chemie (ZN)
4ABETA-MERCAPTOETHANOLnon-polymer78.11Chemie (BME)
5A(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 ACIDnon-polymer745.91Chemie (FNH)
6waterwater18.0169Chemie (HOH)
Sequence modifications
A, C: 1 - 181 (UniProt: Q91RS4)
PDBExternal DatabaseDetails
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
B, D: 21 - 39 (UniProt: O39914)
PDBExternal DatabaseDetails
Lys 19-cloning artifact
Lys 20-cloning artifact
Ser 22Cys 576engineered mutation
Lys 40-cloning artifact
Lys 41-cloning artifact
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains4
Total formula weight47254.5
Non-Polymers*Number of molecules4
Total formula weight954.9
All*Total formula weight48209.4
*Water molecules are not included.

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PDB entries from 2024-03-27

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