2025-02-22_00000040|ligand|7HPC

PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015093-001; X-ray diffraction 2.10Å
Protein #1 46 residues (85% resolved)

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE
Protein #2 168 residues (92% resolved)

MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE

MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
Non polymer #3 A1BGW

InChI=1S/C15H22N6O/c1-9-13(15(22)18-8-12-7-17-10(2)20-12)21-14(19-9)11-4-3-5-16-6-11/h7,11,16H,3-6,8H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)/t11-/m0/s1

Cc1c([nH]c(n1)[C@H]2CCCNC2)C(=O)NCc3c[nH]c(n3)C
Non polymer #4 DMS

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

CS(=O)C
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Reference