Structure of PDB 6y1z Chain C Binding Site BS02

Receptor Information
>6y1z Chain C (length=384) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQPALLRLSDHLLANYKKGVRPVRDWRKPTTVSIDVIMYAILNVDEKNQV
LTTYIWYRQYWTDEFLQWTPEDFDNVTKLSIPTDSIWVPDILINEFVDVG
KSPNIPYVYVHHRGEVQNYKPLQLVTACSLDIYNFPFDVQNCSLTFTSWL
HTIQDINITLWRSPEEVRSDKSIFINQGEWELLEVFPQFKEFSIDISNSY
AEMKFYVIIRRRPLFYAVSLLLPSIFLMVVDIVGFCLPPDSGERVSFKIT
LLLGYSVFLIIVSDTLPATAIGTPLIGVYFVVCMALLVISLAETIFIVRL
VHKQDLQRPVPDWLRHLVLDRILAVRGLLQELSSIRHFLEKRDEMREVAR
DWLRVGYVLDRLLFRIYLLAVLAYSITLVTLWSI
Ligand information
Ligand IDO7B
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-/m1/s1
InChIKeyCPZBLNMUGSZIPR-NVXWUHKLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c3c(c1)C(=O)N(C[C@H]3CCC2)[C@@H]4CN5CCC4CC5
CACTVS 3.385O=C1N(C[C@H]2CCCc3cccc1c23)[C@@H]4CN5CCC4CC5
CACTVS 3.385O=C1N(C[CH]2CCCc3cccc1c23)[CH]4CN5CCC4CC5
OpenEye OEToolkits 2.0.7c1cc2c3c(c1)C(=O)N(CC3CCC2)C4CN5CCC4CC5
FormulaC19 H24 N2 O
Name(3~{a}~{S})-2-[(3~{S})-1-azabicyclo[2.2.2]octan-3-yl]-3~{a},4,5,6-tetrahydro-3~{H}-benzo[de]isoquinolin-1-one;
Palonosetron;
Aloxi
ChEMBLCHEMBL1189679
DrugBankDB00377
ZINCZINC000003795819
PDB chain6y1z Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6y1z The Binding of Palonosetron and Other Antiemetic Drugs to the Serotonin 5-HT3 Receptor.
Resolution2.82 Å
Binding residue
(original residue number in PDB)		I44 W63 R65 Y126
Binding residue
(residue number reindexed from 1)		I37 W56 R58 Y119
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
GO:0015276 ligand-gated monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0016020 membrane
GO:0045211 postsynaptic membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6y1z, PDBe:6y1z, PDBj:6y1z
PDBsum6y1z
PubMed32726573
UniProtP23979|5HT3A_MOUSE 5-hydroxytryptamine receptor 3A (Gene Name=Htr3a)

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