Structure of PDB 4l17 Chain E Binding Site BS01

Receptor Information

>4l17 Chain E (length=259) Species: 10116 (Rattus norvegicus)

NKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYK
LTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITYVREEVIDF
SKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKI
CVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQ
RKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKN
KWWYDKGEC

Ligand information

• Ligand ID: DNQ
• InChI: InChI=1S/C8H2N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H
• InChIKey: YEUPBRRGMWBCEB-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-]
  CACTVS 3.341: [O-][N+](=O)C1=CC2=NC(=O)C(=O)N=C2C=C1[N+]([O-])=O
  ACDLabs 10.04: [O-][N+](=O)C=2C(=CC1=NC(=O)C(=O)N=C1C=2)[N+]([O-])=O
• Formula: C8 H2 N4 O6
• Name: 6,7-DINITROQUINOXALINE-2,3-DIONE;
  DNQX
• ZINC: ZINC000003871177
• PDB chain: 4l17 Chain E Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4l17 A conformational intermediate in glutamate receptor activation.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): Y16 Y61 P89 L90 T91 R96 T174 E193 M196 Y220
• Binding residue (residue number reindexed from 1): Y14 Y59 P87 L88 T89 R94 T172 E191 M194 Y218
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4l17, PDBe:4l17, PDBj:4l17
• PDBsum: 4l17
• PubMed: 23931998
• UniProt: P19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)