Brand  (β version)

PDB ID: 5VP9

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Ligands
Code Name Style Show Link
9H7 Tert-butyl [(2r,6s,12z,13as,14ar,16as)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[E]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate PoSSuM
SO4 Sulfate ion PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 5VP9   PDBj   RCSB PDB   PDBe
Header : HYDROLASE/HYDROLASE INHIBITOR
Title : Crystal structure of HCV NS3/4A protease in complex with AM-07, an analogue of 5172-mcP1P3
Release Data : 2017-06-21
Compound :
mol_id molecule chains
1 NS4A cofactor -- NS3 protein chimera A
Source :
mol_id organism_scientific expression_system
1 Hepatitis C virus subtype 1a  (taxid:31646) Escherichia coli BL21(DE3)  (taxid:469008)
expression_system_strain: BL21(DE3) magic
expression_system_vector_type: Plasmid
expression_system_plasmid: pET-28a
Authors : Matthew, A.N., Schiffer, C.A.
Keywords : NS3/4a Protease, Hepatitis C virus, Drug Resistance, protease inhibitor, HYDROLASE-HYDROLASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.859 Å )
Citation :

Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.

Matthew, A.N.,Zephyr, J.,Hill, C.J.  et al.
(2017)  J. Med. Chem.  60 : 5699 - 5716

PubMed: 28594175
DOI: 10.1021/acs.jmedchem.7b00426

Reaction

Chain : A
UniProt : A8DG50 (A8DG50_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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