2024-07-27_00000163
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medium
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8ZFK
Caenorhabditis elegans ACR-23 in betaine and monepantel bound state;
Electron microscopy 2.64Å
Protein #1
620 residues (66% resolved)
Raw Sequence ...
MHRIYTFLIFISQLALGLSNNPDIPIQYELANNIMENYQKGLIPKVRKGSPINVTLSLQLYQIIQVNEPQQYLLLNAWAVERWVDQMLGWDPSEFDNETEIMARHDDIWLPDTTLYNSLEMDDSASKKLTHVKLTTLGKNQGAMVELLYPTIYKISCLLNLKYFPFDTQTCRMTFGSWSFDNSLIDYFPRTFTNGPIGLANFLENDAWSVLGTKVNREEKKYTCCPVNYTLLHYDVVIQRKPLYYVLNLIAPTAVITFISIIGFFTSSSVHDLRQEKITLGITTLLSMSIMIFMVSDKMPSTSTCVPLIALFYTLMITIISVGTLAASSVIFVQKLGSIGNPPASKTMKWTHRIAPFVLIQMPLVMKQAYAKRAKEEKHRKRMSRKMAEAGAMADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLSQTSETFAAPMDTSFTESLHIPELNRVASSNSIQSVLKPTEIQLTPYCTRNIVELEWDWVAAVLERVFLIFFTICFLFSAIGINLYGWYIWYTENHFLFLEGTKLVPRGSSSGWSHPQFEK
Canonical Sequence ...
MHRIYTFLIFISQLALGLSNNPDIPIQYELANNIMENYQKGLIPKVRKGSPINVTLSLQLYQIIQVNEPQQYLLLNAWAVERWVDQMLGWDPSEFDNETEIMARHDDIWLPDTTLYNSLEMDDSASKKLTHVKLTTLGKNQGAMVELLYPTIYKISCLLNLKYFPFDTQTCRMTFGSWSFDNSLIDYFPRTFTNGPIGLANFLENDAWSVLGTKVNREEKKYTCCPVNYTLLHYDVVIQRKPLYYVLNLIAPTAVITFISIIGFFTSSSVHDLRQEKITLGITTLLSMSIMIFMVSDKMPSTSTCVPLIALFYTLMITIISVGTLAASSVIFVQKLGSIGNPPASKTMKWTHRIAPFVLIQMPLVMKQAYAKRAKEEKHRKRMSRKMAEAGAMADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLSQTSETFAAPMDTSFTESLHIPELNRVASSNSIQSVLKPTEIQLTPYCTRNIVELEWDWVAAVLERVFLIFFTICFLFSAIGINLYGWYIWYTENHFLFLEGTKLVPRGSSSGWSHPQFEK
Non polymer #2
A1D8E
InChI=1S/C20H13F6N3O2S/c1-18(10-28,11-31-16-8-12(9-27)2-7-15(16)19(21,22)23)29-17(30)13-3-5-14(6-4-13)32-20(24,25)26/h2-8H,11H2,1H3,(H,29,30)/t18-/m0/s1
InChI=1S/C20H13F6N3O2S/c1-18(10-28,11-31-16-8-12(9-27)2-7-15(16)19(21,22)23)29-17(30)13-3-5-14(6-4-13)32-20(24,25)26/h2-8H,11H2,1H3,(H,29,30)/t18-/m0/s1
SMILES: C[C@@](COc1cc(ccc1C(F)(F)F)C#N)(C#N)NC(=O)c2ccc(cc2)SC(F)(F)F
C[C@@](COc1cc(ccc1C(F)(F)F)C#N)(C#N)NC(=O)c2ccc(cc2)SC(F)(F)F
Non polymer #3
BET
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1
SMILES: C[N+](C)(C)CC(=O)O
C[N+](C)(C)CC(=O)O
Non polymer #4
NAG
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
Biounit #1
hetero-5-10-mer
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Model
Reference
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