Structure of PDB 6fqk Chain B Binding Site BS01

Receptor Information
>6fqk Chain B (length=258) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKL
TIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIA
VFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQR
KPCDTMKVGGNLDCKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNK
WWYDKGEC
Ligand information
Ligand IDZK1
InChIInChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)
InChIKeyWZMQMKNCWDCCMT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352O[P](O)(=O)CN1C(=O)C(=O)Nc2cc(c(cc12)N3CCOCC3)C(F)(F)F
OpenEye OEToolkits 1.7.0c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F
FormulaC14 H15 F3 N3 O6 P
Name{[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid;
[[3,4-Dihydro-7-(4-morpholinyl)-2,3-dioxo-6-(trifluorom ethyl)-1(2H)-quinoxalinyl]methyl]phosphonic acid
ChEMBLCHEMBL19892
DrugBankDB12393
ZINCZINC000002004553
PDB chain6fqk Chain B Residue 301 [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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PDB6fqk Homomeric GluA2(R) AMPA receptors can conduct when desensitized.
Resolution1.9801 Å
Binding residue
(original residue number in PDB)		E13 Y61 P89 L90 T91 R96 G141 S142 T174 E193 M196 Y220
Binding residue
(residue number reindexed from 1)		E10 Y58 P86 L87 T88 R93 G138 S139 T171 E190 M193 Y217
Annotation score1
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:6fqk, PDBe:6fqk, PDBj:6fqk
PDBsum6fqk
PubMed31541113
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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