Structure of PDB 7e9g Chain S Binding Site BS01

Receptor Information
>7e9g Chain S (length=755) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKVLTLEGDLVLGGLFPVHQKGGPAEDCGPVNEHRGIQRLEAMLFALDRI
NRDPHLLPGVRLGAHILDSCSKDTHALEQALDFVRASLTAITGVIGGSYS
DVSIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFFQAKAM
AEILRFFNWTYVSTVASEGDYGETGIEAFELEARARNICVATSEKVGRAM
SRAAFEGVVRALLQKPSARVAVLFTRSEDARELLAASQRLNASFTWVASD
GWGALESVVAGSEGAAEGAITIELASYPISDFASYFQSLDPWNNSRNPWF
REFWEQRFRCSFRQRDCAAHSLRAVPFEQESKIMFVVNAVYAMAHALHNM
HRALCPNTTRLCDAMRPVNGRRLYKDFVLNVKFDAPFRPADTHNEVRFDR
FGDGIGRYNIFTYLRAGSGRYRYQKVGYWAEGLTLDTSLIPWASPSAGPL
PASRCSEPCLQNEVKSVQPGEVCCWLCIPCQPYEYRLDEFTCADCGLGYW
PNASLTGCFELPQEYIRWGDAWAVGPVTIACLGALATLFVLGVFVRHNAT
PVVKAAGRELCYILLGGVFLCYCMTFIFIAKPSTAVCTLRRLGLGTAFSV
CYSALLTKTNRISPASQVAICLALISGQLLIVVAWLVVEAPGTGKETAPE
RREVVTLRCNHRDASMLGSLAYNVLLIALCTLYAFKTRKCPENFNEAKFI
GFTMYTTCIIWLAFLPIFYVTSSDYRVQTTTMCVSVSLSGSVVLGCLFAP
KLHII
Ligand information
Ligand ID40F
InChIInChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
InChIKeyVTAARTQTOOYTES-RGDLXGNYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C1C2CCC(C(=O)O)(N)C12
OpenEye OEToolkits 1.9.2C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N
OpenEye OEToolkits 1.9.2C1CC(C2C1C2C(=O)O)(C(=O)O)N
CACTVS 3.385N[C]1(CC[CH]2[CH]([CH]12)C(O)=O)C(O)=O
CACTVS 3.385N[C@]1(CC[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O
FormulaC8 H11 N O4
Name(1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
ChEMBLCHEMBL8759
DrugBank
ZINCZINC000003824390
PDB chain7e9g Chain S Residue 901 [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)		R57 R61 S143 Y144 S145 A166 S167 T168 Y216 K377
Binding residue
(residue number reindexed from 1)		R35 R39 S98 Y99 S100 A121 S122 T123 Y171 K332
Annotation score1
Binding affinityBindingDB: Ki=72nM,EC50=5.1nM,IC50=5.6nM
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
View graph for
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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