Structure of PDB 6yk5 Chain A Binding Site BS01

Receptor Information
>6yk5 Chain A (length=263) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GANKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFK
YKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVI
DFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRS
KIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYI
EQRKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKL
KNKWWYDKGECGS
Ligand information
Ligand IDPVK
InChIInChI=1S/C9H11N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
InChIKeyIFUIGRBRINDTIJ-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1C2=C(CO1)N(C(=O)NC2=O)CC(C(=O)O)N
CACTVS 3.385N[C@@H](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O
OpenEye OEToolkits 2.0.7C1C2=C(CO1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O
FormulaC9 H11 N3 O5
Name(S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione;
(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid
ChEMBLCHEMBL4077177
DrugBank
ZINC
PDB chain6yk5 Chain A Residue 312 [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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PDB6yk5 Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Resolution1.15 Å
Binding residue
(original residue number in PDB)		Y61 L90 T91 R96 L138 G141 S142 T143 L192 E193
Binding residue
(residue number reindexed from 1)		Y61 L90 T91 R96 L138 G141 S142 T143 L192 E193
Annotation score1
Binding affinityMOAD: Ki=4.73uM
BindingDB: Ki=331nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6yk5, PDBe:6yk5, PDBj:6yk5
PDBsum6yk5
PubMed32437601
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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