Structure of PDB 5zg0 Chain B Binding Site BS02

Receptor Information

>5zg0 Chain B (length=260) Species: 9606 (Homo sapiens)

NKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYK
LTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDF
SKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKI
AVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQ
RKPCDTMKVGGNLDSKGYGIATPKGSSLRNAVNLAVLKLNEQGLLDKLKN
KWWYDKGECG

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: 5zg0 Chain B Residue 1002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5zg0 TAK-137, an AMPA-R potentiator with little agonistic effect, has a wide therapeutic window.
• Resolution: 1.58 Å
• Binding residue (original residue number in PDB): Y471 L500 T501 R506 G674 S675 T676 E726
• 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:5zg0, PDBe:5zg0, PDBj:5zg0
• PDBsum: 5zg0
• PubMed: 30209408
• UniProt: P42262|GRIA2_HUMAN Glutamate receptor 2 (Gene Name=GRIA2)