Structure of PDB 3il1 Chain B Binding Site BS03

Receptor Information

>3il1 Chain B (length=258) Species: 10116 (Rattus norvegicus)

KTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKL
TIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIA
VFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLSEQGLLDKLKNK
WWYDKGEC

Ligand information

• Ligand ID: B5D
• InChI: InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3/t5-/m0/s1
• InChIKey: VZRNTCHTJRLTMU-YFKPBYRVSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: CC1Nc2ccc(cc2S(=O)(=O)N1)Cl
  OpenEye OEToolkits 1.7.0: C[C@H]1Nc2ccc(cc2S(=O)(=O)N1)Cl
  ACDLabs 11.02: Clc1ccc2c(c1)S(=O)(=O)NC(N2)C
  CACTVS 3.352: C[CH]1Nc2ccc(Cl)cc2[S](=O)(=O)N1
  CACTVS 3.352: C[C@H]1Nc2ccc(Cl)cc2[S](=O)(=O)N1
• Formula: C8 H9 Cl N2 O2 S
• Name: (3S)-7-chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
• ZINC: ZINC000003800839
• PDB chain: 3il1 Chain B Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3il1 Probing the allosteric modulator binding site of GluR2 with thiazide derivatives
• Resolution: 1.998 Å
• Binding residue (original residue number in PDB): K104 P105 S242
• Binding residue (residue number reindexed from 1): K101 P102 S239
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3il1, PDBe:3il1, PDBj:3il1
• PDBsum: 3il1
• PubMed: 19673491
• UniProt: P19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)