7ZNO

Crystal Structure of Unlinked NS2B_NS3 Protease from Zika Virus in Complex with Boronate Inhibitor MI-2270

Summary for 7ZNO

Entry DOI	10.2210/pdb7zno/pdb
Descriptor	Serine protease subunit NS2B, Serine protease NS3, [(1R)-1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid, ... (4 entities in total)
Functional Keywords	flavivirin, serine protease, viral protein, ns2b-ns3, zika virus, boronic acid, boronate
Biological source	Zika virus More
Total number of polymer chains	2
Total formula weight	25549.61
Authors	Huber, S.,Heine, A.,Steinmetzer, T. (deposition date: 2022-04-21, release date: 2022-06-22, Last modification date: 2024-02-07)
Primary citation	Braun, N.J.,Huber, S.,Schmacke, L.C.,Heine, A.,Steinmetzer, T. Boroleucine-Derived Covalent Inhibitors of the ZIKV Protease. Chemmedchem, 18:e202200336-e202200336, 2023 Cited by PubMed: 36325810 DOI: 10.1002/cmdc.202200336 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation