6JPW

Crystal structure of Zika NS2B-NS3 protease with compound 1C

Summary for 6JPW

Entry DOI	10.2210/pdb6jpw/pdb
Descriptor	Serine protease subunit NS2B, NS3 protease, SER-C0F-GLY-LYS-ARG-LYS, ... (4 entities in total)
Functional Keywords	viral protease, protease inhibitor complex, viral protein
Biological source	Zika virus (ZIKV) More
Total number of polymer chains	11
Total formula weight	102173.94
Authors	Quek, J.P. (deposition date: 2019-03-28, release date: 2019-06-26, Last modification date: 2024-11-13)
Primary citation	Nitsche, C.,Onagi, H.,Quek, J.P.,Otting, G.,Luo, D.,Huber, T. Biocompatible Macrocyclization between Cysteine and 2-Cyanopyridine Generates Stable Peptide Inhibitors. Org.Lett., 21:4709-4712, 2019 Cited by PubMed Abstract: Peptides featuring an N-terminal cysteine residue and the unnatural amino acid 3-(2-cyano-4-pyridyl)alanine (Cpa) cyclize spontaneously in aqueous solution at neutral pH. Cpa is readily available and easily introduced into peptides using standard solid-phase peptide synthesis. The reaction is orthogonal to all proteinogenic amino acids, including cysteine residues that are not at the N-terminus. A substrate peptide of the Zika virus NS2B-NS3 protease cyclized in this way produced an inhibitor of high affinity and proteolytic stability. PubMed: 31188009 DOI: 10.1021/acs.orglett.9b01545 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.951 Å)

Structure validation