Structure of PDB 8fsp Chain E Binding Site BS01

Receptor Information
>8fsp Chain E (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 IDY82
InChIInChI=1S/C17H20N4O/c22-17-12-2-1-3-13-16(12)14(19-18-13)6-9-21(17)15-10-20-7-4-11(15)5-8-20/h1-3,11,15H,4-10H2,(H,18,19)/t15-/m1/s1
InChIKeyWHLXDRXTKZLGFK-OAHLLOKOSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1c2cccc3[NH]nc(CCN1C1CN4CCC1CC4)c23
OpenEye OEToolkits 2.0.7c1cc2c3c(c1)[nH]nc3CCN(C2=O)[C@@H]4CN5CCC4CC5
CACTVS 3.385O=C1N(CCc2n[nH]c3cccc1c23)[CH]4CN5CCC4CC5
CACTVS 3.385O=C1N(CCc2n[nH]c3cccc1c23)[C@@H]4CN5CCC4CC5
OpenEye OEToolkits 2.0.7c1cc2c3c(c1)[nH]nc3CCN(C2=O)C4CN5CCC4CC5
FormulaC17 H20 N4 O
Name5-[(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indazol-6-one
ChEMBLCHEMBL3679408
DrugBank
ZINCZINC000096169941
PDB chain8fsp Chain D 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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PDB8fsp Structural Basis for Partial Agonism in 5HT3A Receptors
Resolution3.79 Å
Binding residue
(original residue number in PDB)		W156 D202 Y207
Binding residue
(residue number reindexed from 1)		W150 D196 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:8fsp, PDBe:8fsp, PDBj:8fsp
PDBsum8fsp
PubMed38177669
UniProtP23979|5HT3A_MOUSE 5-hydroxytryptamine receptor 3A (Gene Name=Htr3a)

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