2024-05-04_00000030
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ligand
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7H2B
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with Z1272517105;
X-ray diffraction 1.60Å
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
A1AJ3
InChI=1S/C10H17N3OS/c1-7-11-9(15-13-7)12-8-4-3-5-10(8,2)6-14/h8,14H,3-6H2,1-2H3,(H,11,12,13)/t8-,10+/m0/s1
InChI=1S/C10H17N3OS/c1-7-11-9(15-13-7)12-8-4-3-5-10(8,2)6-14/h8,14H,3-6H2,1-2H3,(H,11,12,13)/t8-,10+/m0/s1
SMILES: Cc1nc(sn1)N[C@H]2CCC[C@]2(C)CO
Cc1nc(sn1)N[C@H]2CCC[C@]2(C)CO
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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