2024-03-30_00000131
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ligand
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8QTL
Aplysia californica acetylcholine-binding protein in complex with Spiroimine (-)-4 S;
X-ray diffraction 1.85Å
Protein #1
217 residues (100% resolved)
Raw Sequence ...
DYKDDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVVKFRERR
Canonical Sequence ...
DYKDDDDKLHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVVKFRERR
Non polymer #2
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #3
IPA
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
SMILES: CC(C)O
CC(C)O
Non polymer #4
WSP
InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m0/s1
InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m0/s1
SMILES: CC1=NCCC[C@@]12CCCCC23OCCO3
CC1=NCCC[C@@]12CCCCC23OCCO3
Biounit #1
hetero-5-1-mer
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Model
Reference
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