2024-05-04_00000010
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ligand
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7H1R
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z270758780;
X-ray diffraction 1.52Å
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
A1AJP
InChI=1S/C8H13N3/c1-11(2)8-5-7(6-9)3-4-10-8/h3-5H,6,9H2,1-2H3
InChI=1S/C8H13N3/c1-11(2)8-5-7(6-9)3-4-10-8/h3-5H,6,9H2,1-2H3
SMILES: CN(C)c1cc(ccn1)CN
CN(C)c1cc(ccn1)CN
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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