Structure of PDB 5zg2 Chain A Binding Site BS01

Receptor Information
>5zg2 Chain A (length=259) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKL
TIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIA
VFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGIATPKGSSLRNAVNLAVLKLNEQGLLDKLKNK
WWYDKGECG
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 chain5zg2 Chain A Residue 901 [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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PDB5zg2 TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		E423 Y471 P499 L500 T501 R506 G674 S675 T707 E726 M729 Y753
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:5zg2, PDBe:5zg2, PDBj:5zg2
PDBsum5zg2
PubMed30209408
UniProtP42262|GRIA2_HUMAN Glutamate receptor 2 (Gene Name=GRIA2)

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