Structure of PDB 8jd6 Chain S Binding Site BS01

Receptor Information
>8jd6 Chain S (length=761) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSIRIDGDITLGGLFPVHGRGSEGKPCGELKKEKGIHRLEAMLFALDRIN
NDPDLLPNITLGARILDTCSRDTHALEQSLTFVQALERVVGVIGASGSSV
SIMVANILRLFKIPQISYASTAPDLSDNSRYDFFSRVVPSDTYQAQAMVD
IVRALKWNYVSTVASEGSYGESGVEAFIQKSREDGGVCIAQSVKIPREPK
AGEFDKIIRRLLETSNARAVIIFANEDDIRRVLEAARRANQTGHFFWMGS
DSWGSKIAPVLHLEEVAEGAVTILPKRMSVRGFDRYFSSRTLDNNRRNIW
FAEFWEDNFHCKKKCTNRERIGQDSAYEQEGKVQFVIDAVYAMGHALHAM
HRDLCPGRVGLCPRMDPVDGTQLLKYIRNVNFSGIAGNPVTFNENGDAPG
RYDIYQYQLRNDSAEYKVIGSWTDHLHLRIERMHWLPRSICSLPCQPGER
KKTVKGMPCCWHCEPCTGYQYQVDRYTCKTCPYDMRPTENRTGCRPIPII
KLEWGSPWAVLPLFLAVVGIAATLFVVITFVRYNDTPIVKASGRELSYVL
LAGIFLCYATTFLMIAEPDLGTCSLRRIFLGLGMSISYAALLTKTNRIYR
IFEQRFISPASQLAITFSLISLQLLGICVWFVVDPSHSVVDFQDQRTLDP
RFARGVLKCDISDLSLICLLGYSMLLMVTCTVYAIKTRGVPETFNEAKPI
GFTMYTTCIVWLAFIPIFFGTSQSADKLYIQTTTLTVSVSLSASVSLGML
YMPKVYIILFH
Ligand information
Ligand IDBK0
InChIInChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)
InChIKeySUYUTNCKIOLMAJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Clc1cccc(NC(=O)c2ccccn2)c1
OpenEye OEToolkits 2.0.7c1ccnc(c1)C(=O)Nc2cccc(c2)Cl
FormulaC12 H9 Cl N2 O
NameN-(3-chlorophenyl)pyridine-2-carboxamide
ChEMBLCHEMBL556667
DrugBank
ZINCZINC000000362766
PDB chain8jd6 Chain S Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8jd6 Structural insights into dimerization and activation of the mGlu2-mGlu3 and mGlu2-mGlu4 heterodimers.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		I804 T820 V824 S825 L828
Binding residue
(residue number reindexed from 1)		I717 T733 V737 S738 L741
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001640 adenylate cyclase inhibiting G protein-coupled glutamate receptor activity
GO:0004930 G protein-coupled receptor activity
GO:0008066 glutamate receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
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:0007269 neurotransmitter secretion
GO:0043410 positive regulation of MAPK cascade
GO:0043523 regulation of neuron apoptotic process
GO:0051966 regulation of synaptic transmission, glutamatergic
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0031410 cytoplasmic vesicle
GO:0045202 synapse
GO:0098793 presynapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8jd6, PDBe:8jd6, PDBj:8jd6
PDBsum8jd6
PubMed37286794
UniProtQ14833|GRM4_HUMAN Metabotropic glutamate receptor 4 (Gene Name=GRM4)

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