6Y3B

Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2110

Summary for 6Y3B

Entry DOI	10.2210/pdb6y3b/pdb
Descriptor	Genome polyprotein, GLYCEROL, 1-[(8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, ... (6 entities in total)
Functional Keywords	flavivirin, serine protease, viral protein, ns2b-ns3, zika virus
Biological source	Zika virus More
Total number of polymer chains	2
Total formula weight	25721.92
Authors	Huber, S.,Heine, A.,Steinmetzer, T. (deposition date: 2020-02-18, release date: 2020-07-08, Last modification date: 2024-01-24)
Primary citation	Braun, N.J.,Quek, J.P.,Huber, S.,Kouretova, J.,Rogge, D.,Lang-Henkel, H.,Cheong, E.Z.K.,Chew, B.L.A.,Heine, A.,Luo, D.,Steinmetzer, T. Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses. Chemmedchem, 15:1439-1452, 2020 Cited by PubMed: 32501637 DOI: 10.1002/cmdc.202000237 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.59 Å)

Structure validation