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Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.

Cao X, Li Y, Jin X, Li Y, Guo F, Jin T
Nucleic Acids Res 44 10505-10514 (2016)
Related entries: 5k8i, 5k8l, 5k8t, 5k8u

Cited: 25 times
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Abstract

Zika virus has attracted increasing attention because of its potential for causing human neural disorders, including microcephaly in infants and Guillain-Barré syndrome. Its NS3 helicase domain plays critical roles in NTP-dependent RNA unwinding and translocation during viral replication. Our structural analysis revealed a pre-activation state of NS3 helicase in complex with GTPγS, in which the triphosphate adopts a compact conformation in the absence of any divalent metal ions. In contrast, in the presence of a divalent cation, GTPγS adopts an extended conformation, and the Walker A motif undergoes substantial conformational changes. Both features contribute to more extensive interactions between the GTPγS and the enzyme. Thus, this study provides structural evidence on the allosteric modulation of MgNTP2- on the NS3 helicase activity. Furthermore, the compact conformation of inhibitory NTP identified in this study provides precise information for the rational drug design of small molecule inhibitors for the treatment of ZIKV infection.

Reviews - 5jwh mentioned but not cited (2)

  1. The A-Z of Zika drug discovery. Mottin M, Borba JVVB, Braga RC, Torres PHM, Martini MC, Proenca-Modena JL, Judice CC, Costa FTM, Ekins S, Perryman AL, Horta Andrade C. Drug Discov Today 23 1833-1847 (2018)
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Articles - 5jwh mentioned but not cited (1)

  1. Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design. Cao X, Li Y, Jin X, Li Y, Guo F, Jin T. Nucleic Acids Res 44 10505-10514 (2016)


Reviews citing this publication (7)

  1. Advances in Developing Therapies to Combat Zika Virus: Current Knowledge and Future Perspectives. Munjal A, Khandia R, Dhama K, Sachan S, Karthik K, Tiwari R, Malik YS, Kumar D, Singh RK, Iqbal HMN, Joshi SK. Front Microbiol 8 1469 (2017)
  2. Structural Biology of the Zika Virus. Shi Y, Gao GF. Trends Biochem Sci 42 443-456 (2017)
  3. The Race To Find Antivirals for Zika Virus. Saiz JC, Martín-Acebes MA. Antimicrob Agents Chemother 61 e00411-17 (2017)
  4. Zika Virus: What Have We Learnt Since the Start of the Recent Epidemic? Saiz JC, Martín-Acebes MA, Bueno-Marí R, Salomón OD, Villamil-Jiménez LC, Heukelbach J, Alencar CH, Armstrong PK, Ortiga-Carvalho TM, Mendez-Otero R, Rosado-de-Castro PH, Pimentel-Coelho PM. Front Microbiol 8 1554 (2017)
  5. In vitro methods for testing antiviral drugs. Rumlová M, Ruml T. Biotechnol Adv 36 557-576 (2018)
  6. Development of small-molecule viral inhibitors targeting various stages of the life cycle of emerging and re-emerging viruses. Wang X, Zou P, Wu F, Lu L, Jiang S. Front Med 11 449-461 (2017)
  7. Therapeutic Advances Against ZIKV: A Quick Response, a Long Way to Go. Saiz JC. Pharmaceuticals (Basel) 12 E127 (2019)

Articles citing this publication (15)

  1. A high ATP concentration enhances the cooperative translocation of the SARS coronavirus helicase nsP13 in the unwinding of duplex RNA. Jang KJ, Jeong S, Kang DY, Sp N, Yang YM, Kim DE. Sci Rep 10 4481 (2020)
  2. Zika virus NS3 is a canonical RNA helicase stimulated by NS5 RNA polymerase. Xu S, Ci Y, Wang L, Yang Y, Zhang L, Xu C, Qin C, Shi L. Nucleic Acids Res 47 8693-8707 (2019)
  3. Mechanism of ATP hydrolysis by the Zika virus helicase. Yang X, Chen C, Tian H, Chi H, Mu Z, Zhang T, Yang K, Zhao Q, Liu X, Wang Z, Ji X, Yang H. FASEB J 32 5250-5257 (2018)
  4. A diarylamine derived from anthranilic acid inhibits ZIKV replication. Silva S, Shimizu JF, Oliveira DM, Assis LR, Bittar C, Mottin M, Sousa BKP, Mesquita NCMR, Regasini LO, Rahal P, Oliva G, Perryman AL, Ekins S, Andrade CH, Goulart LR, Sabino-Silva R, Merits A, Harris M, Jardim ACG. Sci Rep 9 17703 (2019)
  5. Crystal structure of the NS3-like helicase from Alongshan virus. Gao X, Zhu K, Wojdyla JA, Chen P, Qin B, Li Z, Wang M, Cui S. IUCrJ 7 375-382 (2020)
  6. Discovery and Computational Analyses of Novel Small Molecule Zika Virus Inhibitors. Zhu S, Zhang C, Huang LS, Zhang XQ, Xu Y, Fang X, Zhou J, Wu M, Schooley RT, Huang Z, An J. Molecules 24 E1465 (2019)
  7. Crystal structures of the methyltransferase and helicase from the ZIKA 1947 MR766 Uganda strain. Bukrejewska M, Derewenda U, Radwanska M, Engel DA, Derewenda ZS. Acta Crystallogr D Struct Biol 73 767-774 (2017)
  8. Antiviral activity of ouabain against a Brazilian Zika virus strain. Carvalho DCM, da Silva PG, Dantas WM, da Silva SJR, da Silva CTA, Chaves EJF, de Araújo DAM, de Oliveira RN, Rodrigues-Mascarenhas S, Pena LJ. Sci Rep 12 12598 (2022)
  9. Measuring the impact of cofactors on RNA helicase activities. Venus S, Jankowsky E. Methods 204 376-385 (2022)
  10. Mechanical regulation of the helicase activity of Zika virus NS3. Cao X, Liu K, Yan S, Li S, Li Y, Jin T, Liu S. Biophys J 121 4900-4908 (2022)
  11. Structural view of the helicase reveals that Zika virus uses a conserved mechanism for unwinding RNA. Li L, Wang J, Jia Z, Shaw N. Acta Crystallogr F Struct Biol Commun 74 205-213 (2018)
  12. Exploring Evolutionary Constraints in the Proteomes of Zika, Dengue, and Other Flaviviruses to Find Fitness-Critical Sites. Nunez-Castilla J, Rahaman J, Ahrens JB, Balbin CA, Siltberg-Liberles J. J Mol Evol 88 399-414 (2020)
  13. Nucleo-Cytoplasmic Transport of ZIKV Non-Structural 3 Protein Is Mediated by Importin-α/β and Exportin CRM-1. De Jesús-González LA, Palacios-Rápalo SN, Reyes-Ruiz JM, Osuna-Ramos JF, Farfán-Morales CN, Cordero-Rivera CD, Cisneros B, Gutiérrez-Escolano AL, Del Ángel RM. J Virol 97 e0177322 (2023)
  14. Acetylation of the NS3 helicase by KAT5γ is essential for flavivirus replication. Serman T, Chiang C, Liu G, Sayyad Z, Pandey S, Volcic M, Lee H, Muppala S, Acharya D, Goins C, Stauffer SR, Sparrer KMJ, Gack MU. Cell Host Microbe 31 1317-1330.e10 (2023)
  15. Antiviral Activity of Flavonoids from Geopropolis of the Brazilian Jandaira Bee against Zika and Dengue Viruses. Silva PGD, Chaves EJF, Silva TMS, Rocha GB, Dantas WM, Oliveira RN, Pena LJ. Pharmaceutics 15 2494 (2023)


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