Structure of PDB 2pyy Chain A Binding Site BS01

Receptor Information

>2pyy Chain A (length=212) Species: 63737 (Nostoc punctiforme PCC 73102)

PLLVATRVIPPFVLSNLSGFSIDLWRSIATQIGIESKLIEYSSVPELISA
IKDNKVNLGIAAISITAEREQNFDFSLPIFASGLQIMVRNGDIRSIDDLP
GKVVATTAGSTAATYLREHHISVLEVPKIEEAYKALQTKKADAVVFDAPV
LLFYAANEGKGKVEIVGSILREESYGIILPNNSPYRKPINQALLNLKENG
TYQSLYDKWFDP

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: 2pyy Chain A Residue 1620

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2pyy Crystal structure of the GluR0 ligand-binding core from Nostoc punctiforme in complex with L-glutamate: structural dissection of the ligand interaction and subunit interface.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): R10 V50 A68 S70 R75 T116 S119 T120 F155 D156
• Binding residue (residue number reindexed from 1): R7 V44 A62 S64 R69 T107 S110 T111 F146 D147
• Annotation score: 4
• Binding affinity: MOAD: Kd=0.000023M
  PDBbind-CN: -logKd/Ki=4.60,Kd=25uM

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Biological Process

• GO:0034220 monoatomic ion transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:2pyy, PDBe:2pyy, PDBj:2pyy
• PDBsum: 2pyy
• PubMed: 18164033
• UniProt: D0VWX9