Structure of PDB 3pmw Chain A Binding Site BS01

Receptor Information

>3pmw Chain A (length=261) Species: 10116 (Rattus norvegicus)

NKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYK
LTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDF
SKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKI
AVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQ
RKPCDTMKVGGNLDSKGYGIATPKGSSLGTPVNLAVLKLSEQGVLDKLKN
KWWYDKGECGA

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: 3pmw Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3pmw Structure based evolution of a novel series of positive modulators of the AMPA receptor.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): Y62 L91 T92 R97 G142 S143 T144 E194
• Binding residue (residue number reindexed from 1): Y59 L88 T89 R94 G139 S140 T141 E191
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3pmw, PDBe:3pmw, PDBj:3pmw
• PDBsum: 3pmw
• PubMed: 21190850
• UniProt: P19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)