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Ligands
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CPX N-[(2r,3s)-1-((2s)-2-{[(cyclopentylamino)carbonyl]amino}-3-methylbutanoyl)-2-(1-formyl-1-cyclobutyl)pyrrolidinyl]cyclopropanecarboxamide
ZN Zinc ion
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Code : 1RTL   PDBj   RCSB PDB   PDBe
Header : Viral protein complex
Title : CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN: NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND PYRROLIDINE-5,5-TRANSLACTAM INHIBITOR
Release Data : 2004-12-14
Compound :
mol_id molecule chains
1 NS3 protease/helicase A,B
fragment: Protease domain
mol_id molecule chains
2 NS4A COFACTOR C,D
fragment: Residues 21-39
Source :
mol_id organism_scientific expression_system
1 Hepatitis C virus  (taxid:11103) Escherichia coli  (taxid:562)
gene: H STRAIN
expression_system_vector_type: PLASMID
mol_id organism_scientific
2
synthetic: yes
other_details: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE OF THE PROTEIN IS NATURALLY FOUND IN HEPATITIS C VIRUS TYPE 1B.
Authors : Skarzynski, T., Somers, D.O.N.
Keywords : VIRAL PROTEIN, SERINE PROTEASE, NONSTRUCTURAL PROTEIN, COFACTOR PEPTIDE, HELICASE, INHIBITOR, TRANSLACTAM, Viral protein complex
Exp. method : X-RAY DIFFRACTION ( 2.75 Å )
Citation :

Pyrrolidine-5,5-trans-lactams. 4. Incorporation of a P3/P4 urea leads to potent intracellular inhibitors of hepatitis C virus NS3/4A protease

Slater, M.J.,Amphlett, E.M.,Andrews, D.M.  et al.
(2003)  Org.Lett.  5 : 4627 - 4630

PubMed: 14627400
DOI: 10.1021/ol035826v

Pyrrolidine-5,5-Trans-Lactams. 2. The Use of X-Ray Crystal Structure Data in the Optimisation of P3 and P4 Substituents

Andrews, D.M.,Chaignot, H.,Coomber, B.A.  et al.
(2002)  Org.Lett.  4 : 4479 - 4482

DOI: 10.1021/ol027014p

Chain : A, B
UniProt : Q91RS4 (Q91RS4_9HEPC)
Reaction: EC: Evidence:
Physiological Direction:
ATP + H2O = ADP + H(+) + phosphate 3.6.4.13 ARBA:ARBA00001556
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