2025-11-01_00000280
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ligand
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9MFF
Structure of zebrafish OTOP1 in nanodisc in complex with inhibitor C2.2;
Electron microscopy 3.23Å
Protein #1
587 residues (67% resolved)
Raw Sequence ...
GPVEHGGTDSMWLNKYNPAAASSASSSSSSDAENKLFSRLKVSLTKKYPQKNAELLSAQYGTNLLLLGVSVMLALAAQSGPVKEEHLLSFITVLMLVQLVWMLCYMIRRERERSPVPERDAHAGASWIRGGLTMLALLSLIMDAFRIGYFVGYHSCISAALGVYPIVHALHTISQVHFLWFHIKDVIKKYETFERFGVIHAVFTNLLLWCNGVMSETEHFMHNHRRRLIEMGYANLSTVDVQPHCNCTTSVCSMFSTSLYYLYPFNIEYHIFVSAMLFVMWKNIGRTLDRHSNRKRRSTGSTGLLLGPLGGLVALASSVSVLVVYLIHLEKTEEMHEAAVSMFYYYGVAMMACMCVGSGTGLLVYRMENRPMDTGSNPARTLDTELLLASSLGSWLMSWCSVVASVAEAGQKSPSFSWTSLTYSLLLVLEKCIQNLFIVESLYRRHSEEEEDAAAPQVFSVAVPPYDGILNHGYEAHDKHREAEPAAGSHALSRKQPDAPLPAGQRLDVTPGRKRQILKNICMFLFMCNISLWILPAFGCRPQYDNPLENETFGTSVWTTVLNVAIPLNLFYRMHSVASLFEVFRKV
Canonical Sequence ...
GPVEHGGTDSMWLNKYNPAAASSASSSSSSDAENKLFSRLKVSLTKKYPQKNAELLSAQYGTNLLLLGVSVMLALAAQSGPVKEEHLLSFITVLMLVQLVWMLCYMIRRERERSPVPERDAHAGASWIRGGLTMLALLSLIMDAFRIGYFVGYHSCISAALGVYPIVHALHTISQVHFLWFHIKDVIKKYETFERFGVIHAVFTNLLLWCNGVMSETEHFMHNHRRRLIEMGYANLSTVDVQPHCNCTTSVCSMFSTSLYYLYPFNIEYHIFVSAMLFVMWKNIGRTLDRHSNRKRRSTGSTGLLLGPLGGLVALASSVSVLVVYLIHLEKTEEMHEAAVSMFYYYGVAMMACMCVGSGTGLLVYRMENRPMDTGSNPARTLDTELLLASSLGSWLMSWCSVVASVAEAGQKSPSFSWTSLTYSLLLVLEKCIQNLFIVESLYRRHSEEEEDAAAPQVFSVAVPPYDGILNHGYEAHDKHREAEPAAGSHALSRKQPDAPLPAGQRLDVTPGRKRQILKNICMFLFMCNISLWILPAFGCRPQYDNPLENETFGTSVWTTVLNVAIPLNLFYRMHSVASLFEVFRKV
Non polymer #2
A1BKU
InChI=1S/C15H17N3O2/c1-10(2)8-20-13-7-5-4-6-12(13)18-15(19)14-11(3)16-9-17-14/h4-7,9H,1,8H2,2-3H3,(H,16,17)(H,18,19)
InChI=1S/C15H17N3O2/c1-10(2)8-20-13-7-5-4-6-12(13)18-15(19)14-11(3)16-9-17-14/h4-7,9H,1,8H2,2-3H3,(H,16,17)(H,18,19)
SMILES: Cc1c([nH]cn1)C(=O)Nc2ccccc2OCC(=C)C
Cc1c([nH]cn1)C(=O)Nc2ccccc2OCC(=C)C
Non polymer #3
CLR
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Non polymer #4
Y01
InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
Biounit #1
homo-dimer
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Model
Reference
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