Structure of PDB 7fd8 Chain A Binding Site BS01

Receptor Information
>7fd8 Chain A (length=764) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRVVAHMPGDIIIGALFSVHHQPTVDKVHERKCGAVREQYGIQRVEAMLH
TLERINSDPTLLPNITLGCEIRDSCWHSAVALEQSIEFIRDSLKPIVGVI
GPGSSSVAIQVQNLLQLFNIPQIAYSATSMDLSDKTLFKYFMRVVPSDAQ
QARAMVDIVKRYNWTYVSAVHTEGNYGESGMEAFKDMSAKEGICIAHSYK
IYSNAGEQSFDKLLKKLTSHLPKARVVACFCEGMTVRGLLMAMRRLGLAG
EFLLLGSDGWADRYDVTDGYQREAVGGITIKLQSPDVKWFDDYYLKLRPE
TNLRNPWFQEFWQHRFQCRLEGFPQENSKYNKTCNSSLTLKTHHVQDSKM
GFVINAIYSMAYGLHNMQMSLCPGYAGLCDAMKPIDGRKLLESLMKTAFT
GVSGDTILFDENGDSPGRYEIMNFKEMGKDYFDYINVGSWDNGELKMDDD
EVWSKKSNIIRSVCSEPCEKGQIKVIRKGEVSCCWTCTPCKENEYVFDEY
TCKACQLGSWPTDDLTGCDLIPVQYLRWGDPEPIAAVVFACLGLLATLFV
TVVFIIYRDTPVVKSSSRELCYIILAGICLGYLCTFCLIAKPKQIYCYLQ
RIGIGLSPAMSYSALVTKTNRIARISACAQLVIAFILICIQLGIIVALFI
MEPPDIMHDYPSIREVYLICNTTNLGVVAPLGYNGLLILACTFYAFKTRN
VPANFNEAKYIAFAMYTTCIIWLAFVPIYFGSNYKAITMCFSVSLSATVL
LGCMFVPKVYIILA
Ligand information
Ligand IDQUS
InChIInChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
InChIKeyASNFTDCKZKHJSW-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CN1OC(=O)NC1=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)N1C(=O)NC(=O)O1
ACDLabs 10.04O=C1NC(=O)ON1CC(N)C(=O)O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1
CACTVS 3.341N[C@@H](CN1OC(=O)NC1=O)C(O)=O
FormulaC5 H7 N3 O5
Name(S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID;
QUISQUALATE
ChEMBLCHEMBL279956
DrugBankDB02999
ZINCZINC000000897456
PDB chain7fd8 Chain A 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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PDB7fd8 Agonists and allosteric modulators promote signaling from different metabotropic glutamate receptor 5 conformations.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		Y64 W100 S151 S152 S173 A174 T175 Y223 E279 D305 G306 K396
Binding residue
(residue number reindexed from 1)		Y40 W76 S104 S105 S126 A127 T128 Y176 E232 D258 G259 K349
Annotation score1
Binding affinityBindingDB: Ki=>10000nM,EC50=630nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7fd8, PDBe:7fd8, PDBj:7fd8
PDBsum7fd8
PubMed34469715
UniProtP41594|GRM5_HUMAN Metabotropic glutamate receptor 5 (Gene Name=GRM5)

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