Structure of PDB 3o29 Chain A Binding Site BS01

Receptor Information

>3o29 Chain A (length=263) Species: 10116 (Rattus norvegicus)

GANKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFK
YKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVI
DFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRS
KIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYI
EQRKPCDTMKVGGNLDSKGYGIATPKGSSLGTPVNLAVLKLSEQGVLDKL
KNKWWYDKGECGA

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: 3o29 Chain A Residue 264

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3o29 A novel series of positive modulators of the AMPA receptor: discovery and structure based hit-to-lead studies.
• Resolution: 2.02 Å
• Binding residue (original residue number in PDB): Y61 L90 T91 R96 L138 G141 S142 T143 E193
• Binding residue (residue number reindexed from 1): Y61 L90 T91 R96 L138 G141 S142 T143 E193
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3o29, PDBe:3o29, PDBj:3o29
• PDBsum: 3o29
• PubMed: 20805031
• UniProt: P19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)