2025-10-25_00000309
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ligand
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9RGA
Crystal structure of Zika NS2B-NS3 protease in complex with follow-up compound EOS87208 from ECBL;
X-ray diffraction 1.38Å
Protein #1
53 residues (74% resolved)
Raw Sequence ...
MTGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEEDGPPMRE
Canonical Sequence ...
MTGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEEDGPPMRE
Protein #2
176 residues (90% resolved)
Raw Sequence ...
GALWDVPAPKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKSGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
Canonical Sequence ...
GALWDVPAPKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKSGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
Non polymer #3
A1JFZ
InChI=1S/C13H20N2O2/c1-9-7-10(2)17-12(9)13(16)15-6-4-5-11(15)8-14-3/h7,11,14H,4-6,8H2,1-3H3/t11-/m0/s1
InChI=1S/C13H20N2O2/c1-9-7-10(2)17-12(9)13(16)15-6-4-5-11(15)8-14-3/h7,11,14H,4-6,8H2,1-3H3/t11-/m0/s1
SMILES: Cc1cc(oc1C(=O)N2CCC[C@H]2CNC)C
Cc1cc(oc1C(=O)N2CCC[C@H]2CNC)C
Biounit #1
hetero-1-1-mer
Download coordinates
Biounit #2
hetero-1-1-mer
Download coordinates
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Model
Reference
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