Structure of PDB 6n51 Chain A Binding Site BS01

Receptor Information
>6n51 Chain A (length=791) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRVVAHMPGDIIIGALFSVHHQPTVDKVHERKCGAVREQYGIQRVEAMLH
TLERINSDPTLLPNITLGCEIRDSCWHSAVALEQSIEFIRDSLISSEEEE
GLRSKKPIVGVIGPGSSSVAIQVQNLLQLFNIPQIAYSATSMDLSDKTLF
KYFMRVVPSDAQQARAMVDIVKRYNWTYVSAVHTEGNYGESGMEAFKDMS
AKEGICIAHSYKIYSNAGEQSFDKLLKKLTSHLPKARVVACFCEGMTVRG
LLMAMRRLGLAGEFLLLGSDGWADRYDVTDGYQREAVGGITIKLQSPDVK
WFDDYYLKLRPETNHRNPWFQEFWQHRFQCRLEGFPQENSKYNKTCNSSL
TLKTHHVQDSKMGFVINAIYSMAYGLHNMQMSLCPGYAGLCDAMKPIDGR
KLLESLMKTNFTGVSGDTILFDENGDSPGRYEIMNFKEMGKDYFDYINVG
SWDNGELKMDDDEVWSKKSNIIRSVCSEPCEKGQIKVIRKGEVSCCWTCT
PCKENEYVFDEYTCKACQLGSWPTDDLTGCDLIPVQYLRWGDPEPIAAVV
FACLGLLATLFVTVVFIIYRDTPVVKSSSRELCYIILAGICLGYLCTFCL
IAKPKQIYCYLQRIGIGLSPAMSYSALVTKTNRIARILAGSKKKICTKKP
RFMSACAQLVIAFILICIQLGIIVALFIMEPPDIMHDYPSIREVYLICNT
TNLGVVTPLGYNGLLILSCTFYAFKTRNVPANFNEAKYIAFTMYTTCIIW
LAFVPIYFGSNYKIITMCFSVSLSATVALGCMFVPKVYIIL
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 chain6n51 Chain A Residue 903 [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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PDB6n51 Structural insights into the activation of metabotropic glutamate receptors.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		Y64 W100 S173 T175 Y223 E279 G280 G306
Binding residue
(residue number reindexed from 1)		Y40 W76 S138 T140 Y188 E244 G245 G271
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

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6n51, PDBe:6n51, PDBj:6n51
PDBsum6n51
PubMed30675062
UniProtP41594|GRM5_HUMAN Metabotropic glutamate receptor 5 (Gene Name=GRM5)

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