2026-10-03_00000084
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ligand
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28JG
LASV cap-snatching endonuclease in complex with BXA - single crystal, cryo;
X-ray diffraction 1.75Å
Protein #1
200 residues (85% resolved)
Raw Sequence ...
MEEDIACVKDLVSKYLVDNERLSRQKLAFLVQTEPRMLLMEGLKLLSLCIEVDSCNANGCEHNSEDKSVERILHDHGILTPSLCFVVPDGYKLTGNVLILLECFVRSSPANFEQKYIEDFKKLEQLKEDLKSVDINLIPLIDGRTSFYNEQIPDWVNDKLRDTLFSLLKYAQESNSLFEESEYSRLCESLSMTSGRLSGV
Canonical Sequence ...
MEEDIACVKDLVSKYLVDNERLSRQKLAFLVQTEPRMLLMEGLKLLSLCIEVDSCNANGCEHNSEDKSVERILHDHGILTPSLCFVVPDGYKLTGNVLILLECFVRSSPANFEQKYIEDFKKLEQLKEDLKSVDINLIPLIDGRTSFYNEQIPDWVNDKLRDTLFSLLKYAQESNSLFEESEYSRLCESLSMTSGRLSGV
Non polymer #2
DTT
InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1
InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1
SMILES: C([C@@H]([C@H](CS)O)O)S
C([C@@H]([C@H](CS)O)O)S
Non polymer #3
E4Z
InChI=1S/C24H19F2N3O4S/c25-16-6-5-13-15(20(16)26)12-34-18-4-2-1-3-14(18)21(13)29-19-11-33-10-9-27(19)24(32)22-23(31)17(30)7-8-28(22)29/h1-8,19,21,31H,9-12H2/t19-,21+/m1/s1
InChI=1S/C24H19F2N3O4S/c25-16-6-5-13-15(20(16)26)12-34-18-4-2-1-3-14(18)21(13)29-19-11-33-10-9-27(19)24(32)22-23(31)17(30)7-8-28(22)29/h1-8,19,21,31H,9-12H2/t19-,21+/m1/s1
SMILES: c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O
c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O
Non polymer #4
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Biounit #1
monomer
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Model
Reference
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