Structure of PDB 3ijx Chain D Binding Site BS03

Receptor Information
>3ijx Chain D (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
KPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLSEQGLLDKLKNK
WWYDKGEC
Ligand information
Ligand IDHCZ
InChIInChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
InChIKeyJZUFKLXOESDKRF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2
ACDLabs 11.02O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N
CACTVS 3.352N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl
FormulaC7 H8 Cl N3 O4 S2
Name6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
ChEMBLCHEMBL435
DrugBankDB00999
ZINCZINC000000896569
PDB chain3ijx Chain D Residue 800 [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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PDB3ijx Probing the allosteric modulator binding site of GluR2 with thiazide derivatives
Resolution2.881 Å
Binding residue
(original residue number in PDB)		K104 P105 S108 L239 S242
Binding residue
(residue number reindexed from 1)		K101 P102 S105 L236 S239
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:3ijx, PDBe:3ijx, PDBj:3ijx
PDBsum3ijx
PubMed19673491
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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