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2F9U

HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, CNS3 protease/helicase'polymer19921102.02UniProt (Q91RS4)
Pfam (PF02907)
In PDB
Hepatitis C virus
2B, Dpolyproteinpolymer232394.02GenBank (51039195)
3A, CZINC IONnon-polymer65.42Chemie (ZN)
4A1,1-DIMETHYLETHYL [1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATEnon-polymer738.91Chemie (5NH)
5waterwater18.0115Chemie (HOH)
Sequence modifications
A, C: 1 - 181 (UniProt: Q91RS4)
PDBExternal DatabaseDetails
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 (GenBank: 51039195)
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 weight46992.1
Non-Polymers*Number of molecules3
Total formula weight869.7
All*Total formula weight47861.9
*Water molecules are not included.

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PDB entries from 2024-09-18

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