Structure of PDB 5cni Chain A Binding Site BS01

Receptor Information
>5cni Chain A (length=438) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKVLTLEGDLVLGGLFPVHQKGGPAEDCGPVNEHRGIQRLEAMLFALDRI
NRDPHLLPGVRLGAHILDSCSKDTHALEQALDFVRASTAITGVIGGSYSD
VSIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFFQAKAMA
EILRFFNWTYVSTVASEGDYGETGIEAFELEARARNISVATSEKVGRAMS
RAAFEGVVRALLQKPSARVAVLFTRSEDARELLAASQRLNASFTWVASDG
WGALEEVVAGSEGAAEGAITIELASYPISDFASYFQSLDPWNNSRNPWFR
EFWEQRFRCSFRRDCAAHSLRAVPFEQESKIMFVVNAVYAMAHALHNMHR
ALCPNTTRLCDAMRPVNGRRLYKDFVLNVKFDAPFRPADTHNEVRFDRFG
DGIGRYNIFTYLRAGRYRYQKVGYWAEGLTLDTSLIPW
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain5cni Chain A Residue 601 [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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PDB5cni Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
Resolution2.69 Å
Binding residue
(original residue number in PDB)		R57 R61 S143 Y144 S145 A166 S167 T168 Y216 D295 K377
Binding residue
(residue number reindexed from 1)		R35 R39 S97 Y98 S99 A120 S121 T122 Y170 D249 K330
Annotation score4
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:5cni, PDBe:5cni, PDBj:5cni
PDBsum5cni
PubMed26313429
UniProtQ14416|GRM2_HUMAN Metabotropic glutamate receptor 2 (Gene Name=GRM2)

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