Structure of PDB 3kei Chain B Binding Site BS01

Receptor Information

>3kei Chain B (length=257) Species: 10116 (Rattus norvegicus)

TVVVTTIMESPYVMYKKNHEMFEGNDKYEGYCVDLASEIAKHIGIKYKIA
IVPDGKYGARDADTKIWNGMVGELVYGKAEIAIAPLTITLVREEVIDFSK
PFMSLGISIMIKKGTPIESAEDLAKQTEIAYGTVDSGSTKEFFRRSKIAV
YEKMWTYMRSAEPSVFTRTTAEGVARVRKSKGKFAFLLESTMNEYTEQRK
PCDTMKVGGNLDSKGYGVATPKGSSLRTPVNLAVLKLSEAGVLDKLKNKW
WYDKGEC

Ligand information

• Ligand ID: GLU
• InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
• InChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-N
• SMILES:
  ACDLabs 12.01: O=C(O)C(N)CCC(=O)O
  OpenEye OEToolkits 1.7.0: C(CC(=O)O)C(C(=O)O)N
  OpenEye OEToolkits 1.7.0: C(CC(=O)O)[C@@H](C(=O)O)N
  CACTVS 3.370: N[C@@H](CCC(O)=O)C(O)=O
  CACTVS 3.370: N[CH](CCC(O)=O)C(O)=O
• Formula: C5 H9 N O4
• Name: GLUTAMIC ACID
• ChEMBL: CHEMBL575060
• DrugBank: DB00142
• ZINC: ZINC000001482113
• PDB chain: 3kei Chain B Residue 258

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3kei Enhanced efficacy without further cleft closure: reevaluating twist as a source of agonist efficacy in AMPA receptors.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): Y57 L86 T87 R92 V134 G137 S138 T139 E189
• Binding residue (residue number reindexed from 1): Y57 L86 T87 R92 V134 G137 S138 T139 E189
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3kei, PDBe:3kei, PDBj:3kei
• PDBsum: 3kei
• PubMed: 20107073
• UniProt: P19493|GRIA4_RAT Glutamate receptor 4 (Gene Name=Gria4)