Brand  (β version)

PDB ID: 6MO0

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Ligands
Code Name Style Show Link
JVJ 1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine PoSSuM
Non-standard Residues
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Structure summary

Code : 6MO0   PDBj   RCSB PDB   PDBe
Header : VIRAL PROTEIN/INHIBITOR
Title : Structure of dengue virus protease with an allosteric Inhibitor that blocks replication
Release Data : 2019-05-22
Compound :
mol_id molecule chains
1 FLAVIVIRUS_NS2B/Peptidase S7 A,B
Source :
mol_id organism_scientific expression_system
1 Dengue virus 2  (taxid:11060) Escherichia coli  (taxid:562)
Authors : Lin, Y.-L., Nie, S., Hua, Y., Wu, J., Wu, F., Huo, T., Yao, Y., Song, Y.
Keywords : Allosteric Inhibitor, Inhibitor, Complex, Protease, VIRAL PROTEIN, VIRAL PROTEIN-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.70 Å )
Citation :

Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease.

Yao, Y.,Huo, T.,Lin, Y.L.  et al.
(2019)  J. Am. Chem. Soc.  141 : 6832 - 6836

PubMed: 31017399
DOI: 10.1021/jacs.9b02505

Reaction

Chain : A, B
UniProt : A0A0B4L2Y4 (A0A0B4L2Y4_9FLAV)
Reaction: EC: Evidence:
Physiological Direction:
ATP + H2O = ADP + phosphate + H(+) 3.6.4.13 ARBA:ARBA00047984
-
Selective hydrolysis of -Xaa-Xaa-|-Yaa- bonds in which each of the Xaa can be either Arg or Lys and Yaa can be either Ser or Ala. 3.4.21.91 ARBA:ARBA00024468
-
a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'- diphosphate + phosphate + H(+) 3.6.1.15 ARBA:ARBA00047631
-
Chain : A, B
UniProt : Q91H74 (Q91H74_9FLAV)
Reaction: EC: Evidence:
Physiological Direction:
ATP + H2O = ADP + phosphate + H(+) 3.6.4.13 ARBA:ARBA00047984
-
Selective hydrolysis of -Xaa-Xaa-|-Yaa- bonds in which each of the Xaa can be either Arg or Lys and Yaa can be either Ser or Ala. 3.4.21.91 ARBA:ARBA00024468
-
a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'- diphosphate + phosphate + H(+) 3.6.1.15 ARBA:ARBA00047631
-