Structure of PDB 5ehs Chain A Binding Site BS01

Receptor Information

>5ehs Chain A (length=260) Species: 7222,7227

LKNKTLVVTTILSNPYCMRKESAIPLSGNDQFEGYAVDLIHEISKSLGFN
YKIQLVPDGSYGSLNKLTGEWNGMIRELLEQRADLAIADLTITFEREQAV
DFTTPFMNLGVSILYRKGTPIESAEDLAKQTRIKYGALKGGSTAAFFRDS
KISTYQRMWSFMESARPSVFTASNGEGVERVAKGKGSYAFLMESTSIEYV
TERNCELTQVGGMLDTKSYGIATPPNSPYRTAINSVILKLQEEGKLHILK
TKWWKEKRGG

Ligand information

• Ligand ID: 2JJ
• InChI: InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m1/s1
• InChIKey: VOROEQBFPPIACJ-SCSAIBSYSA-N
• SMILES:
  CACTVS 3.385: N[CH](CCC[P](O)(O)=O)C(O)=O
  CACTVS 3.385: N[C@H](CCC[P](O)(O)=O)C(O)=O
  ACDLabs 12.01: O=P(O)(O)CCCC(N)C(=O)O
  OpenEye OEToolkits 1.7.6: C(C[C@H](C(=O)O)N)CP(=O)(O)O
  OpenEye OEToolkits 1.7.6: C(CC(C(=O)O)N)CP(=O)(O)O
• Formula: C5 H12 N O5 P
• Name: 5-phosphono-D-norvaline
• ChEMBL: CHEMBL84612
• ZINC: ZINC000001854170
• PDB chain: 5ehs Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ehs Novel Functional Properties of Drosophila CNS Glutamate Receptors.
• Resolution: 1.749 Å
• Binding residue (original residue number in PDB): Y65 D93 L94 T95 R100 S146 E197
• Binding residue (residue number reindexed from 1): Y61 D89 L90 T91 R96 S142 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:5ehs, PDBe:5ehs, PDBj:5ehs
• PDBsum: 5ehs
• PubMed: 27889096
• UniProt: B4JUF1;
  Q8MS48