Structure of PDB 7e9g Chain R Binding Site BS02

Receptor Information
>7e9g Chain R (length=769) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKVLTLEGDLVLGGLFPVHQKGGPAEDCGPVNEHRGIQRLEAMLFALDRI
NRDPHLLPGVRLGAHILDSCSKDTHALEQALDFVRASLITGVIGGSYSDV
SIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFFQAKAMAE
ILRFFNWTYVSTVASEGDYGETGIEAFELEARARNICVATSEKVGRAMSR
AAFEGVVRALLQKPSARVAVLFTRSEDARELLAASQRLNASFTWVASDGW
GALESVVAGSEGAAEGAITIELASYPISDFASYFQSLDPWNNSRNPWFRE
FWEQRFRCSFRQRDCAAHSLRAVPFEQESKIMFVVNAVYAMAHALHNMHR
ALCPNTTRLCDAMRPVNGRRLYKDFVLNVKFDAPFRPADTHNEVRFDRFG
DGIGRYNIFTYLRAGSGRYRYQKVGYWAEGLTLDTSLIPWASPSAGPLPA
SRCSEPCLQNEVKSVQPGEVCCWLCIPCQPYEYRLDEFTCADCGLGYWPN
ASLTGCFELPQEYIRWGDAWAVGPVTIACLGALATLFVLGVFVRHNATPV
VKAAGRELCYILLGGVFLCYCMTFIFIAKPSTAVCTLRRLGLGTAFSVCY
SALLTKTNRIARIFGGAREGAQRPRFISPASQVAICLALISGQLLIVVAW
LVVEAPGTGKETAPERREVVTLRCNHRDASMLGSLAYNVLLIALCTLYAF
KTRKCPENFNEAKFIGFTMYTTCIIWLAFLPIFYVTSSDYRVQTTTMCVS
VSLSGSVVLGCLFAPKLHI
Ligand information
Ligand IDHZR
InChIInChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3
InChIKeyHYOGJHCDLQSAHX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)c3ccccc3
CACTVS 3.385CCCCN1C=CC(=C(Cl)C1=O)N2CCC(CC2)c3ccccc3
FormulaC20 H25 Cl N2 O
Name1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one
ChEMBLCHEMBL3337527
DrugBankDB12059
ZINCZINC000059047060
PDB chain7e9g Chain R Residue 902 [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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PDB7e9g Structures of G i -bound metabotropic glutamate receptors mGlu2 and mGlu4.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		F643 Y647 M728 L732 N735 W773 F780 S784
Binding residue
(residue number reindexed from 1)		F596 Y600 M681 L685 N688 W726 F733 S737
Annotation score1
Binding affinityBindingDB: EC50=147nM,Ki=180nM,IC50=68nM
Enzymatic activity
Enzyme Commision number ?
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:0005515 protein binding
GO:0008066 glutamate receptor activity
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:0007215 glutamate receptor signaling pathway
GO:0007216 G protein-coupled glutamate receptor signaling pathway
GO:0007268 chemical synaptic transmission
GO:0010467 gene expression
GO:0014047 glutamate secretion
GO:0014048 regulation of glutamate secretion
GO:0014059 regulation of dopamine secretion
GO:0033554 cellular response to stress
GO:0035095 behavioral response to nicotine
GO:0042220 response to cocaine
GO:0051897 positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0051966 regulation of synaptic transmission, glutamatergic
GO:0060292 long-term synaptic depression
GO:0090461 intracellular glutamate homeostasis
GO:0099171 presynaptic modulation of chemical synaptic transmission
GO:2001023 regulation of response to drug
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030424 axon
GO:0030425 dendrite
GO:0042734 presynaptic membrane
GO:0042995 cell projection
GO:0043005 neuron projection
GO:0045202 synapse
GO:0045211 postsynaptic membrane
GO:0097449 astrocyte projection
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7e9g, PDBe:7e9g, PDBj:7e9g
PDBsum7e9g
PubMed34135510
UniProtQ14416|GRM2_HUMAN Metabotropic glutamate receptor 2 (Gene Name=GRM2)

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