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Structure of PDB 4afh Chain C Binding Site BS01

Receptor Information >4afh Chain C (length=213) Species: 283909 (Capitella teleta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] SNGLMAKRLRRELLNTYEQLGKSGLPFLDDIGKVDVKFGLSLQLLKSIEQ RGMGFNSIGTFKAIVKLSWVDTILRWDPEPPFDFQKIEISPDEIWTPDIK LFNSVDLDMTLDRTTQAIVFSNGTVLWIPPAVLKVLCVSQDDVDSCHFQF GSWVYSVDEVDIHFMDDKAEVLLDFYQDSLEILENSAQRQEVVYPCCESA YVEMKYLLALRSE

Ligand information Ligand ID L0B 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-/m0/s1 InChIKey MXYUKLILVYORSK-HBMCJLEFSA-N SMILES Software SMILES CACTVS 3.370 CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@H](O)c3ccccc3 OpenEye OEToolkits 1.7.6 CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O ACDLabs 12.01 O=C(c1ccccc1)CC3N(C)C(CC(O)c2ccccc2)CCC3 OpenEye OEToolkits 1.7.6 CN1C(CCCC1CC(=O)c2ccccc2)CC(c3ccccc3)O CACTVS 3.370 CN1[CH](CCC[CH]1CC(=O)c2ccccc2)C[CH](O)c3ccccc3 Formula C22 H27 N O2 Name Alpha-Lobeline ChEMBL CHEMBL122270 DrugBank DB05137 ZINC ZINC000000001624 PDB chain 4afh Chain B Residue 1218 [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 4afh Molecular Actions of Smoking Cessation Drugs at Alpha4Beta2 Nicotinic Receptors Defined in Crystal Structures of a Homologous Binding Protein. Resolution 1.88 Å Binding residue (original residue number in PDB) I118 L126 I128 F175 Binding residue (residue number reindexed from 1) I118 L126 I128 F175 Annotation score 1 Binding affinity MOAD: Ki=0.29nM

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 GO:0005231 excitatory extracellular ligand-gated monoatomic ion channel activity GO:0042802 identical protein binding GO:1904315 transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential

	Biological Process
GO:0006811	monoatomic ion transport
GO:0007165	signal transduction
GO:0007268	chemical synaptic transmission
GO:0034220	monoatomic ion transmembrane transport
GO:0042391	regulation of membrane potential
GO:0050877	nervous system process
GO:0060078	regulation of postsynaptic membrane potential
GO:0060079	excitatory postsynaptic potential

	Cellular Component
GO:0016020	membrane
GO:0043005	neuron projection
GO:0045202	synapse
GO:0098794	postsynapse

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