2025-03-01_00000021
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ligand
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7I1N
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with MFP-0011710-001-001;
X-ray diffraction 1.77Å
Protein #1
46 residues (85% resolved)
Raw Sequence ...
SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE
Canonical Sequence ...
SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE
Protein #2
168 residues (93% resolved)
Raw Sequence ...
MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
Canonical Sequence ...
MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
Non polymer #3
A1BXG
InChI=1S/C14H13N3/c1-9-5-6-11(13-8-16-10(2)17-13)12-4-3-7-15-14(9)12/h3-8H,1-2H3,(H,16,17)
InChI=1S/C14H13N3/c1-9-5-6-11(13-8-16-10(2)17-13)12-4-3-7-15-14(9)12/h3-8H,1-2H3,(H,16,17)
SMILES: Cc1ccc(c2c1nccc2)c3c[nH]c(n3)C
Cc1ccc(c2c1nccc2)c3c[nH]c(n3)C
Non polymer #4
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Biounit #1
hetero-1-1-mer
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Model
Reference
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