2025-02-22_00000026|ligand|7HOW

PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014812-001; X-ray diffraction 1.45Å
Protein #1 46 residues (85% resolved)

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE
Protein #2 168 residues (93% resolved)

MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE

MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
Non polymer #3 A1BGL

InChI=1S/C21H22N4O3S/c1-29(27,28)20-8-7-15(25-12-10-22-11-13-25)14-19(20)24-21(26)17-4-2-6-18-16(17)5-3-9-23-18/h2-9,14,22H,10-13H2,1H3,(H,24,26)

CS(=O)(=O)c1ccc(cc1NC(=O)c2cccc3c2cccn3)N4CCNCC4
Non polymer #4 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
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Reference