2025-10-25_00000310
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ligand
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9RGF
Crystal structure of Zika NS2B-NS3 protease in complex with follow-up compound EOS41783 from ECBL;
X-ray diffraction 1.60Å
Protein #1
53 residues (75% resolved)
Raw Sequence ...
MTGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEEDGPPMRE
Canonical Sequence ...
MTGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEEDGPPMRE
Protein #2
176 residues (90% resolved)
Raw Sequence ...
GALWDVPAPKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKSGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
Canonical Sequence ...
GALWDVPAPKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKSGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
Non polymer #3
A1JF3
InChI=1S/C16H20N2O2S/c1-11(9-17-16(19)14-4-3-12(2)20-14)18-7-5-15-13(10-18)6-8-21-15/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,17,19)/t11-/m0/s1
InChI=1S/C16H20N2O2S/c1-11(9-17-16(19)14-4-3-12(2)20-14)18-7-5-15-13(10-18)6-8-21-15/h3-4,6,8,11H,5,7,9-10H2,1-2H3,(H,17,19)/t11-/m0/s1
SMILES: Cc1ccc(o1)C(=O)NC[C@H](C)N2CCc3c(ccs3)C2
Cc1ccc(o1)C(=O)NC[C@H](C)N2CCc3c(ccs3)C2
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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