Structure of PDB 8fsz Chain D Binding Site BS01

Receptor Information
>8fsz Chain D (length=395) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTQPALLRLSDHLLANYKKGVRPVRDWRKPTTVSIDVIMYAILNVDEKNQ
VLTTYIWYRQYWTDEFLQWTPEDFDNVTKLSIPTDSIWVPDILINEFVDV
GKSPNIPYVYVHHRGEVQNYKPLQLVTACSLDIYNFPFDVQNCSLTFTSW
LHTIQDINITLWRSPEEVRSDKSIFINQGEWELLEVFPQFKEFSIDISNS
YAEMKFYVIIRRRPLFYAVSLLLPSIFLMVVDIVGFCLPPDSGERVSFKI
TLLLGYSVFLIIVSDTLPATAIGTPLIGVYFVVCMALLVISLAETIFIVR
LVHKQDLQRPVPDWLRHLVLDRIAWILAVRGLLQELSSIRHFLEKRDEMR
EVARDWLRVGYVLDRLLFRIYLLAVLAYSITLVTLWSIWHYSENL
Ligand information
Ligand IDY7H
InChIInChI=1S/C18H22N4O/c23-18-14-2-1-3-15-17(14)16(20-19-15)6-9-22(18)13-10-12-4-7-21(11-13)8-5-12/h1-3,12-13H,4-11H2,(H,19,20)/t13-/m0/s1
InChIKeyIZPGDYACPJMETA-ZDUSSCGKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c3c(c1)[nH]nc3CCN(C2=O)C4CC5CCN(C4)CC5
OpenEye OEToolkits 2.0.7c1cc2c3c(c1)[nH]nc3CCN(C2=O)[C@H]4CC5CCN(C4)CC5
CACTVS 3.385O=C1N(CCc2n[nH]c3cccc1c23)[C@H]4CC5CCN(CC5)C4
CACTVS 3.385O=C1N(CCc2n[nH]c3cccc1c23)[CH]4CC5CCN(CC5)C4
ACDLabs 12.01O=C1c2cccc3[NH]nc(CCN1C1CC4CCN(CC4)C1)c23
FormulaC18 H22 N4 O
Name5-[(1R,3S,5R)-1-azabicyclo[3.2.2]nonan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one
ChEMBL
DrugBank
ZINC
PDB chain8fsz Chain C Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8fsz Structural Basis for Partial Agonism in 5HT3A Receptors
Resolution3.79 Å
Binding residue
(original residue number in PDB)		W156 F199 Y207
Binding residue
(residue number reindexed from 1)		W150 F193 Y201
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
GO:0022850 serotonin-gated monoatomic cation channel activity
GO:0042802 identical protein binding
GO:0051378 serotonin binding
GO:0099507 ligand-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential
Biological Process
GO:0006811 monoatomic ion transport
GO:0007210 serotonin receptor signaling pathway
GO:0034220 monoatomic ion transmembrane transport
GO:0098662 inorganic cation transmembrane transport
GO:0099505 regulation of presynaptic membrane potential
GO:0140227 serotonin-gated cation-selective signaling pathway
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0032154 cleavage furrow
GO:0045202 synapse
GO:0045211 postsynaptic membrane
GO:1904602 serotonin-activated cation-selective channel complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8fsz, PDBe:8fsz, PDBj:8fsz
PDBsum8fsz
PubMed38177669
UniProtP23979|5HT3A_MOUSE 5-hydroxytryptamine receptor 3A (Gene Name=Htr3a)

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