Brand  (β version)

PDB ID: 2K1Q

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Ligands
Code Name Style Show Link
ZN Zinc ion PoSSuM
Non-standard Residues
Code Name Show
OBF (2s)-2-amino-4,4-difluorobutanoic acid
Glycosylation
Code Name Emphasize
Modification
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FE3 4-(2-aminoethyl)-3-chlorobenzoic acid
IBU 2-methylpropyl hydrogen carbonate

Structure summary

Code : 2K1Q   PDBj   RCSB PDB   PDBe
Header : VIRAL PROTEIN
Title : NMR structure of hepatitis C virus ns3 serine protease complexed with the non-covalently bound phenethylamide inhibitor
Release Data : 2009-02-03
Compound :
mol_id molecule chains
1 NS3 PROTEASE A
fragment: residues 1048-1206
mol_id molecule chains
2 PHENETHYLAMIDE B
Source :
mol_id organism_scientific expression_system
1 Hepatitis C virus  (taxid:11103) Escherichia coli
strain: 1B
expression_system_strain: BL21
expression_system_variant: DE3
mol_id organism_scientific
2
synthetic: yes
Authors : Eliseo, T., Gallo, M., Pennestri, M., Bazzo, R., Cicero, D.O.
Keywords : SERINE PROTEASE, NS3, HEPATITIS C VIRUS, NON COVALENT INHIBITOR, Envelope protein, Helicase, Hydrolase, Nucleotide-binding, RNA replication, Transmembrane, VIRAL PROTEIN
Exp. method : SOLUTION NMR
Citation :

Binding of a noncovalent inhibitor exploiting the S' region stabilizes the hepatitis C virus NS3 protease conformation in the absence of cofactor.

Gallo, M.,Pennestri, M.,Bottomley, M.J.  et al.
(2009)  J.Mol.Biol.  385 : 1142 - 1155

PubMed: 19061898
DOI: 10.1016/j.jmb.2008.11.017

Reaction

Chain : A
UniProt : P90191 (P90191_9HEPC)
Reaction: EC: Evidence:
Physiological Direction:
ATP + H2O = ADP + H(+) + phosphate 3.6.4.13 ARBA:ARBA00001556
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Hydrolysis of four peptide bonds in the viral precursor polyprotein, commonly with Asp or Glu in the P6 position, Cys or Thr in P1 and Ser or Ala in P1'. 3.4.21.98 ARBA:ARBA00001117
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a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'- diphosphate + H(+) + phosphate 3.6.1.15 ARBA:ARBA00001491
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