Structure of PDB 5lxb Chain C Binding Site BS01

Receptor Information
>5lxb Chain C (length=205) Species: 6500 (Aplysia californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKVDSSTNEVDL
VYWERQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVL
SPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGVTCAVKFGSWVYSGF
EIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVV
KFRER
Ligand information
Ligand ID7A9
InChIInChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17+/m0/s1
InChIKeyCPZBLNMUGSZIPR-DOTOQJQBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C1N(C[CH]2CCCc3cccc1c23)[CH]4CN5CCC4CC5
CACTVS 3.385O=C1N(C[C@@H]2CCCc3cccc1c23)[C@@H]4CN5CCC4CC5
OpenEye OEToolkits 2.0.5c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5
OpenEye OEToolkits 2.0.5c1cc2c3c(c1)C(=O)N(CC3CCC2)C4CN5CCC4CC5
FormulaC19 H24 N2 O
Namepalonosetron
ChEMBLCHEMBL1276421
DrugBank
ZINCZINC000006094354
PDB chain5lxb Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lxb Palonosetron-5-HT3 Receptor Interactions As Shown by a Binding Protein Cocrystal Structure.
Resolution2.34 Å
Binding residue
(original residue number in PDB)		R55 M114 I116
Binding residue
(residue number reindexed from 1)		R55 M114 I116
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=9.77,Ki=0.17nM
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5lxb, PDBe:5lxb, PDBj:5lxb
PDBsum5lxb
PubMed27656911
UniProtQ8WSF8

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