Structure of PDB 5cnk Chain A Binding Site BS01

Receptor Information
>5cnk Chain A (length=444) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RREIKIEGDLVLGGLFPINEKGTGTEECGRINEDRGIQRLEAMLFAIDEI
NKDDYLLPGVKLGVHILDTCSRDTYALEQSLEFVRASLIPLLIAGVIGGS
YSSVSIQVANLLRLFQIPQISYASTSAKLSDKSRYDYFARTVPPDFYQAK
AMAEILRFFNWTYVSTVASEGDYGETGIEAFEQEARLRNISIATAEKVGR
SNIRKSYDSVIRELLQKPNARVVVLFMRSDDSRELIAAASRANASFTWVA
SDGWGAQESIIKGSEHVAYGAITLELASQPVRQFDRYFQSLNPYNNHRNP
WFRDFWEQKFQCSLQRVCDKHLAIDSSNYEQESKIMFVVNAVYAMAHALH
KMQRTLCPNTTKLCDAMKILDGKKLYKDYLLKINFTAPFNPDSIVKFDTF
GDGMGRYNVFNFQNVGGKYSYLKVGHWAETLSLDVNSIHWSRNS
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 chain5cnk Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5cnk 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.
Resolution3.15 Å
Binding residue
(original residue number in PDB)		R64 R68 Y150 S151 A172 T174 Y222 D301 K389
Binding residue
(residue number reindexed from 1)		R35 R39 Y101 S102 A123 T125 Y173 D252 K334
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:5cnk, PDBe:5cnk, PDBj:5cnk
PDBsum5cnk
PubMed26313429
UniProtQ14832|GRM3_HUMAN Metabotropic glutamate receptor 3 (Gene Name=GRM3)

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