Structure of PDB 4wxj Chain B Binding Site BS01

Receptor Information

>4wxj Chain B (length=254) Species: 7227 (Drosophila melanogaster)

PIRYTVATRVGKPYFSWREEPYEGNERFEGYAVDLIYMLAQECKFDFNFE
PVRDNKYGSYDANTDEWDGIIRQLIDNNAQIGICDLTITQARRSVVDFTV
PFMQLGISILSYKGTDIGSLHDLVDQNKVQFGTIRGGATSVYFSESNDTD
NRMAWNKMLSFKPDAFTKNNEEGVDRVKLSKGTYAFLMETTNLQYYVQRN
CELTQIGESFGEKHYGIAVPLNADFRSNLSVGILRLSERGELFKLRNKWF
NSCD

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: 4wxj Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4wxj Functional reconstitution of Drosophila melanogaster NMJ glutamate receptors.
• Resolution: 2.002 Å
• Binding residue (original residue number in PDB): Y68 D96 T98 R103 I145 G148 A149 T150 E200
• Binding residue (residue number reindexed from 1): Y57 D85 T87 R92 I134 G137 A138 T139 E189
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4wxj, PDBe:4wxj, PDBj:4wxj
• PDBsum: 4wxj
• PubMed: 25918369
• UniProt: Q9VMP3