Structure of PDB 5lxb Chain J Binding Site BS01

Receptor Information
>5lxb Chain J (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 J Residue 302 [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)		Y91 W145 C188 C189 Y193
Binding residue
(residue number reindexed from 1)		Y91 W145 C188 C189 Y193
Annotation score1
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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Cellular Component
External links
PDB RCSB:5lxb, PDBe:5lxb, PDBj:5lxb
PDBsum5lxb
PubMed27656911
UniProtQ8WSF8

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