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H-1, C-13 and N-15 resonance assignment of backbone and IVL-methyl side chain of the S135A mutant NS3pro/NS2B protein of Dengue II virus reveals unique secondary structure features in solution

Agback, Peter and Lesovoy, Dmitry M. and Han, Xiao and Sun, Renhua and Sandalova, Tatyana and Agback, Tatiana and Achour, Adnane and Orekhov, Vladislav Yu (2022). H-1, C-13 and N-15 resonance assignment of backbone and IVL-methyl side chain of the S135A mutant NS3pro/NS2B protein of Dengue II virus reveals unique secondary structure features in solution. Biomolecular NMR Assignments. 16 :1 , 135-145
[Research article]

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Abstract

The serotype II Dengue (DENV 2) virus is the most prevalent of all four known serotypes. Herein, we present nearly complete H-1, N-15, and C-13 backbone and H-1, C-13 isoleucine, valine, and leucine methyl resonance assignment of the apo S135A catalytically inactive variant of the DENV 2 protease enzyme folded as a tandem formed between the serine protease domain NS3pro and the cofactor NS2B, as well as the secondary structure prediction of this complex based on the assigned chemical shifts using the TALOS-N software. Our results provide a solid ground for future elucidation of the structure and dynamic of the apo NS3pro/NS2B complex, key for adequate development of inhibitors, and a thorough molecular understanding of their function(s).

Authors/Creators:Agback, Peter and Lesovoy, Dmitry M. and Han, Xiao and Sun, Renhua and Sandalova, Tatyana and Agback, Tatiana and Achour, Adnane and Orekhov, Vladislav Yu
Title:H-1, C-13 and N-15 resonance assignment of backbone and IVL-methyl side chain of the S135A mutant NS3pro/NS2B protein of Dengue II virus reveals unique secondary structure features in solution
Series Name/Journal:Biomolecular NMR Assignments
Year of publishing :2022
Volume:16
Number:1
Page range:135-145
Number of Pages:11
Publisher:SPRINGER
ISSN:1874-2718
Language:English
Publication Type:Research article
Article category:Scientific peer reviewed
Version:Published version
Copyright:Creative Commons: Attribution 4.0
Full Text Status:Public
Subjects:(A) Swedish standard research categories 2011 > 1 Natural sciences > 106 Biological Sciences (Medical to be 3 and Agricultural to be 4) > Biochemistry and Molecular Biology
Keywords:Dengue 2 virus, NS3 protease, Flavivirus protease, NMR chemical shifts assignment, Methyl assignment, Backbone dynamics
URN:NBN:urn:nbn:se:slu:epsilon-p-116269
Permanent URL:
http://urn.kb.se/resolve?urn=urn:nbn:se:slu:epsilon-p-116269
Additional ID:
Type of IDID
DOI10.1007/s12104-022-10071-w
Web of Science (WoS)000754121200001
Scopus2-s2.0-85124407320
ID Code:27884
Faculty:NJ - Fakulteten för naturresurser och jordbruksvetenskap
Department:(NL, NJ) > Department of Molecular Sciences
Deposited By: SLUpub Connector
Deposited On:16 May 2022 08:25
Metadata Last Modified:16 May 2022 08:31

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