Structure of PDB 8jd1 Chain 3 Binding Site BS04

Receptor Information
>8jd1 Chain 3 (length=756) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RREIKIEGDLVLGGLFPINECGRINEDRGIQRLEAMLFAIDEINKDDYLL
PGVKLGVHILDTCSRDTYALEQSLEFVRASLTKVNIPLLIAGVIGGSYSS
VSIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFYQAKAMA
EILRFFNWTYVSTVASEGDYGETGIEAFEQEARLRNICIATAEKVGRSNI
RKSYDSVIRELLQKPNARVVVLFMRSDDSRELIAAASRANASFTWVASDG
WGAQESIIKGSEHVAYGAITLELASQPVRQFDRYFQSLNPYNNHRNPWFR
DFWEQKFQCSLRRVCDKHLAIDSSNYEQESKIMFVVNAVYAMAHALHKMQ
RTLCPNTTKLCDAMKILDGKKLYKDYLLKINFTAPFNPNKDADSIVKFDT
FGDGMGRYNVFNFQNVGGKYSYLKVGHWAETLSLDVNSIHWSRNSVPTSQ
CSDPCAPNEMKNMQPGDVCCWICIPCEPYEYLADEFTCMDCGSGQWPTAD
LTGCYDLPEDYIRWEDAWAIGPVTIACLGFMCTCMVVTVFIKHNNTPLVK
ASGRELCYILLFGVGLSYCMTFFFIAKPSPVICALRRLGLGSSFAICYSA
LLTKTNKFISPSSQVFICLGLILVQIVMVSVWLILEAPGTRRYTLAEKRE
TVILKCNVKDSSMLISLTYDVILVILCTVYAFKTRKCPENFNEAKFIGFT
MYTTCIIWLAFLPIFYVTSSDYRVQTTTMCISVSLSGFVVLGCLFAPKVH
IILFQP
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain8jd1 Chain 3 Residue 1008 [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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PDB8jd1 Structural insights into dimerization and activation of the mGlu2-mGlu3 and mGlu2-mGlu4 heterodimers.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		E613 F620
Binding residue
(residue number reindexed from 1)		E555 F562
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0001641 group II metabotropic glutamate receptor activity
GO:0004930 G protein-coupled receptor activity
GO:0005246 calcium channel regulator activity
GO:0008066 glutamate receptor activity
GO:0044877 protein-containing complex binding
GO:0097110 scaffold protein binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007194 negative regulation of adenylate cyclase activity
GO:0007196 adenylate cyclase-inhibiting G protein-coupled glutamate receptor signaling pathway
GO:0007216 G protein-coupled glutamate receptor signaling pathway
GO:0007268 chemical synaptic transmission
GO:0010467 gene expression
GO:0033554 cellular response to stress
GO:0051966 regulation of synaptic transmission, glutamatergic
GO:0099170 postsynaptic modulation of chemical synaptic transmission
Cellular Component
GO:0005886 plasma membrane
GO:0014069 postsynaptic density
GO:0016020 membrane
GO:0030424 axon
GO:0042734 presynaptic membrane
GO:0043005 neuron projection
GO:0043197 dendritic spine
GO:0045211 postsynaptic membrane
GO:0097449 astrocyte projection
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8jd1, PDBe:8jd1, PDBj:8jd1
PDBsum8jd1
PubMed37286794
UniProtA0A8V8TRG9;
Q14832|GRM3_HUMAN Metabotropic glutamate receptor 3 (Gene Name=GRM3)

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