Structure of PDB 5zg2 Chain B Binding Site BS01

Receptor Information
>5zg2 Chain B (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 ID9C0
InChIInChI=1S/C17H20N2O2S/c1-17(2,3)14-8-6-13(7-9-14)15-5-4-10-19-11-12-22(20,21)18-16(15)19/h4-10H,11-12H2,1-3H3
InChIKeyNFUZLMGYOAJDAK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3
CACTVS 3.385CC(C)(C)c1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23
FormulaC17 H20 N2 O2 S
Name9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
ChEMBL
DrugBank
ZINC
PDB chain5zg2 Chain A Residue 902 [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)		K514 P515 S750 K751
Binding residue
(residue number reindexed from 1)		K101 P102 S214 K215
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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