Structure of PDB 8eis Chain A Binding Site BS02

Receptor Information
>8eis Chain A (length=292) Species: 37653 (Octopus bimaculoides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPTYGDERLLREKLLTNYSKSIRPVINLTKVVDVTALLYLQTLYDLDFVN
NFIMARYYLGLIWIDEKLTWNPLDYNNITSIYLPKDKIWTPPIKMCNSMD
KSEENDGVGELMLTYTGWINMWSFRLLHTYCQINAYTYPFDEHTCEIYLC
VALHTINHTRIKELIYEDSKFTQNYKWDINVSGKVNGTDELFSYAFAPMY
LRRKLTVGIIAMLIPTVMMTILTIFVFLLPPESGEKVSLATTIFLSNVLY
LVQIDKTTPTNTKYPSLLMLYLMLLSMLSGIATLGSVVISKL
Ligand information
Ligand IDDU0
InChIInChI=1S/C32H52O5/c1-20-7-13-32(36-19-20)21(2)29-28(37-32)16-27-25-6-5-23-15-24(35-14-10-22(17-33)18-34)8-11-30(23,3)26(25)9-12-31(27,29)4/h5,20-22,24-29,33-34H,6-19H2,1-4H3/t20-,21+,24+,25-,26+,27+,28+,29+,30+,31+,32-/m1/s1
InChIKeyGFDJQXOBWHMOSQ-LEZUHYJESA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC=C6C[CH](CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C)OCCC(CO)CO
CACTVS 3.385C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)OCCC(CO)CO
OpenEye OEToolkits 2.0.7CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OCCC(CO)CO)C)C)C)OC1
OpenEye OEToolkits 2.0.7C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OCCC(CO)CO)C)C)C)OC1
FormulaC32 H52 O5
Name2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol
ChEMBL
DrugBank
ZINC
PDB chain8eis Chain B Residue 405 [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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PDB8eis Sensory specializations drive octopus and squid behaviour.
Resolution2.62 Å
Binding residue
(original residue number in PDB)		C96 Y148 F192
Binding residue
(residue number reindexed from 1)		C96 Y148 F192
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:0005231 excitatory extracellular ligand-gated monoatomic ion channel activity
GO:1904315 transmitter-gated monoatomic ion channel activity involved in regulation of postsynaptic membrane potential
Biological Process
GO:0006811 monoatomic ion transport
GO:0007165 signal transduction
GO:0007268 chemical synaptic transmission
GO:0034220 monoatomic ion transmembrane transport
GO:0042391 regulation of membrane potential
GO:0050877 nervous system process
GO:0060078 regulation of postsynaptic membrane potential
GO:0060079 excitatory postsynaptic potential
Cellular Component
GO:0016020 membrane
GO:0043005 neuron projection
GO:0045202 synapse
GO:0098794 postsynapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8eis, PDBe:8eis, PDBj:8eis
PDBsum8eis
PubMed37045917
UniProtA0A0L8FVQ9

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