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Structure of PDB 2bys Chain B Binding Site BS02

Receptor Information >2bys Chain B (length=206) Species: 6500 (Aplysia californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] LHSQANLMRLKSDLFNRYPGPTKDDPLTVTLGFTLQDIVKADSSTNEVDL VYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVL SPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVYSGF EIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVV KFRERR

Ligand information Ligand ID LOB InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m1/s1 InChIKey MXYUKLILVYORSK-QHAWAJNXSA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O ACDLabs 10.04 O=C(c1ccccc1)CC3N(C)C(CC(O)c2ccccc2)CCC3 CACTVS 3.341 CN1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@@H](O)c3ccccc3 OpenEye OEToolkits 1.5.0 CN1C(CCCC1CC(=O)c2ccccc2)CC(c3ccccc3)O CACTVS 3.341 CN1[CH](CCC[CH]1CC(=O)c2ccccc2)C[CH](O)c3ccccc3 Formula C22 H27 N O2 Name LOBELINE; 2-{(2S,6R)-6-[(2R)-2-HYDROXY-2-PHENYLETHYL]-1-METHYLPIPERIDIN-2-YL}-1-PHENYLETHANONE ChEMBL DrugBank ZINC ZINC000000156931 PDB chain 2bys Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 2bys Structures of Aplysia Achbp Complexes with Nicotinic Agonists and Antagonists Reveal Distinctive Binding Interfaces and Conformations. Resolution 2.05 Å Binding residue (original residue number in PDB) Y55 V108 M116 I118 Binding residue (residue number reindexed from 1) Y53 V106 M114 I116 Annotation score 1 Binding affinity MOAD: Kd=0.3nM

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0004888 transmembrane signaling receptor activity GO:0005216 monoatomic ion channel activity GO:0005230 extracellular ligand-gated monoatomic ion channel activity

	Biological Process
GO:0006811	monoatomic ion transport
GO:0034220	monoatomic ion transmembrane transport

	Cellular Component
GO:0016020	membrane

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