2024-05-04_00000034
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ligand
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7H2F
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1491215378;
X-ray diffraction 1.38Å
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
A1AJ6
InChI=1S/C6H14N2O2S/c1-11(9,10)8-6-2-4-7-5-3-6/h6-8H,2-5H2,1H3
InChI=1S/C6H14N2O2S/c1-11(9,10)8-6-2-4-7-5-3-6/h6-8H,2-5H2,1H3
SMILES: CS(=O)(=O)NC1CCNCC1
CS(=O)(=O)NC1CCNCC1
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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