Structure of PDB 3tdj Chain B Binding Site BS02

Receptor Information
>3tdj Chain B (length=260) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKY
KLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITYVREEVID
FSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSK
IAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIE
QRKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLSEQGLLDKLK
NKWWYDKGEC
Ligand information
Ligand ID3TJ
InChIInChI=1S/C9H11FN2O2S/c1-2-12-6-11-15(13,14)9-5-7(10)3-4-8(9)12/h3-5,11H,2,6H2,1H3
InChIKeyMALNTEMXARBOND-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCN1CN[S](=O)(=O)c2cc(F)ccc12
ACDLabs 12.01Fc1ccc2c(c1)S(=O)(=O)NCN2CC
OpenEye OEToolkits 1.7.2CCN1CNS(=O)(=O)c2c1ccc(c2)F
FormulaC9 H11 F N2 O2 S
Name4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
ChEMBLCHEMBL411612
DrugBank
ZINCZINC000028656079
PDB chain3tdj Chain B Residue 265 [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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PDB3tdj Thermodynamics and structural analysis of positive allosteric modulation of the ionotropic glutamate receptor GluA2.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		P105 F106 M107 S108
Binding residue
(residue number reindexed from 1)		P104 F105 M106 S107
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.25,Kd=5.6uM
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:3tdj, PDBe:3tdj, PDBj:3tdj
PDBsum3tdj
PubMed21895609
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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