7VLH

Crystal structure of Zika NS2B-NS3 protease with compound MI2219

Summary for 7VLH

Entry DOI	10.2210/pdb7vlh/pdb
Descriptor	Serine protease subunit NS2B, NS3 protease, 1-[(3~{S},6~{R},18~{R})-3,6-bis(4-azanylbutyl)-2,5,8,11,14,17-hexakis(oxidanylidene)-1,4,7,10,13,16-hexazacyclodocos-18-yl]guanidine, ... (5 entities in total)
Functional Keywords	ns3 protease, viral protein
Biological source	Zika virus (ZIKV) More
Total number of polymer chains	2
Total formula weight	25596.75
Authors	Quek, J.P. (deposition date: 2021-10-02, release date: 2022-08-10, Last modification date: 2023-11-29)
Primary citation	Huber, S.,Braun, N.J.,Schmacke, L.C.,Quek, J.P.,Murra, R.,Bender, D.,Hildt, E.,Luo, D.,Heine, A.,Steinmetzer, T. Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors. J.Med.Chem., 65:6555-6572, 2022 Cited by PubMed: 35475620 DOI: 10.1021/acs.jmedchem.1c01860 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.621 Å)

Structure validation