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BioLiP

Structure of PDB 5elv Chain B Binding Site BS02

Receptor Information
>5elv Chain B (length=263) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GANKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFK
YKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITYVREEVI
DFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRS
KIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYI
EQRKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLSEQGLLDKL
KNKWWYDKGECGS
Ligand information
Ligand ID5PX
InChIInChI=1S/C10H12N2O3S/c13-8-3-4-9-10(5-8)16(14,15)11-6-12(9)7-1-2-7/h3-5,7,11,13H,1-2,6H2
InChIKeyOMEAYSCNDLQLNC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc2N(CN[S](=O)(=O)c2c1)C3CC3
OpenEye OEToolkits 1.7.6c1cc2c(cc1O)S(=O)(=O)NCN2C3CC3
FormulaC10 H12 N2 O3 S
Name4-Cyclopropyl-3,4-dihydro-7-hydroxy-2H-1,2,4-benzothiadiazine 1,1-dioxide;
BPAM-521
ChEMBL
DrugBank
ZINCZINC000118234308
PDB chain5elv Chain B Residue 312 [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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PDB5elv Enthalpy-Entropy Compensation in the Binding of Modulators at Ionotropic Glutamate Receptor GluA2.
Resolution1.92 Å
Binding residue
(original residue number in PDB)		P105 S108 S217 K218 G219
Binding residue
(residue number reindexed from 1)		P105 S108 S217 K218 G219
Annotation score1
Binding affinityMOAD: Kd=0.16uM
PDBbind-CN: -logKd/Ki=6.80,Kd=0.16uM
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:5elv, PDBe:5elv, PDBj:5elv
PDBsum5elv
PubMed27276258
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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