Brand  (β version)

PDB ID: 3UPH

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Ligands
Code Name Style Show Link
PO4 Phosphate ion PoSSuM
0C1 6-(2,5-difluorobenzyl)-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2h-furo[2,3-E]indole-7-carboxamide PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 3UPH   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Synthesis of novel 4,5-dihydrofurano indoles and their evaluation as HCV NS5B polymerase inhibitors
Release Data : 2012-01-25
Compound :
mol_id molecule chains synonym
1 RNA-directed RNA polymerase A,B NS5B
ec: 2.7.7.48
fragment: UNP residues 2420-2989
Source :
mol_id organism_scientific organism_common expression_system
1 Hepatitis C virus  (taxid:420174) HCV Escherichia coli  (taxid:562)
strain: HC-J4
Authors : Velazquez, F., Venkataraman, S., Lesburg, C.A., Duca, J.S., Rosenblum, S.B., Kozlowski, J.A., Njoroge, F.G.
Keywords : TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.00 Å )
Citation :

Synthesis of New 4,5-Dihydrofuranoindoles and Their Evaluation as HCV NS5B Polymerase Inhibitors.

Velazquez, F.,Venkatraman, S.,Lesburg, C.A.  et al.
(2012)  Org.Lett.  14 : 556 - 559

PubMed: 22220815
DOI: 10.1021/ol203177g

Reaction

Chain : A, B
UniProt : O92972 (POLG_HCVJ4)
Reaction: EC: Evidence:
Physiological Direction:
[Serine protease/helicase NS3]
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 UniProtKB:P27958
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[Serine protease/helicase NS3]
a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'- diphosphate + phosphate + H(+) 		3.6.1.15 UniProtKB:P27958
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[Serine protease/helicase NS3]
ATP + H2O = ADP + phosphate + H(+) 		3.6.4.13 UniProtKB:P27958
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[RNA-directed RNA polymerase]
RNA(n) + a ribonucleoside 5'-triphosphate = RNA(n+1) + diphosphate 		2.7.7.48 PROSITE-ProRule:PRU00539
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Cofactor: Evidence: Note:
Zn(2+) ECO:0000269 | PubMed:17239391
Activity of protease NS2 is dependent on zinc ions and completely inhibited by EDTA. This is probably due to the fact that NS2 protease activity needs NS3 N-terminus that binds a zinc atom (active region NS2-3).
Mg(2+) ECO:0000269 | PubMed:17239391
ECO:0000250 | UniProtKB:Q9WMX2
Binds 1 zinc ion, which has a structural role (PubMed:17239391). The magnesium ion is essential for the helicase activity (By similarity).
Mg(2+) ECO:0000250 | UniProtKB:P26663
Binds 2 magnesium ion that constitute a dinuclear catalytic metal center.