Structure of PDB 6n50 Chain A Binding Site BS01

Receptor Information
>6n50 Chain A (length=518) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRVVAHMPGDIIIGALFSVHHQPTVDKVHERKCGAVREQYGIQRVEAMLH
TLERINSDPTLLPNITLGCEIRDSCWHSAVALEQSIEFIRDSKPIVGVIG
PGSSSVAIQVQNLLQLFNIPQIAYSATSMDLSDKTLFKYFMRVVPSDAQQ
ARAMVDIVKRYNWTYVSAVHTEGNYGESGMEAFKDMSAKEGICIAHSYKI
YSNAGEQSFDKLLKKLTSHLPKARVVACFCEGMTVRGLLMAMRRLGLAGE
FLLLGSDGWADRYDVTDGYQREAVGGITIKLQSPDVKWFDDYYLKLRPET
NHRNPWFQEFWQHRFQCRLEGFPQENSKYNKTCNSSLTLKTHHVQDSKMG
FVINAIYSMAYGLHNMQMSLCPGYAGLCDAMKPIDGRKLLESLMKTNFTG
VSGDTILFDENGDSPGRYEIMNFKEMGKDYFDYINVGSWDNGELKMDDDE
VWSNIIRSVCSEPCEKGQIKVIRKGEVSCCWTCTPCKENEYVFDEYTCKA
CQLGSWPTDDLTGCDLIP
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 chain6n50 Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6n50 Structural insights into the activation of metabotropic glutamate receptors.
Resolution3.751 Å
Binding residue
(original residue number in PDB)		Y64 W100 S152 S173 T175 Y223 E279 D305 R310 K396
Binding residue
(residue number reindexed from 1)		Y40 W76 S104 S125 T127 Y175 E231 D257 R262 K348
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:6n50, PDBe:6n50, PDBj:6n50
PDBsum6n50
PubMed30675062
UniProtP41594|GRM5_HUMAN Metabotropic glutamate receptor 5 (Gene Name=GRM5)

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