Structure of PDB 5nf5 Chain A Binding Site BS01

Receptor Information

>5nf5 Chain A (length=254) Species: 10116 (Rattus norvegicus)

RTLIVTTILEEPYVMYRKSDKPLYGNDRFEGYCLDLLKELSNILGFLYDV
KLVPDGKYGAQNDKGEWNGMVKELIDHRADLAVAPLTITYVREKVIDFSK
PFMTLGISILYRKGTPIDSADDLAKQTKIEYGAVRDGSTMTFFKKSKIST
YEKMWAFMSSRQQSALVKNSDEGIQRVLTTDYALLMESTSIEYVTQRNCN
LTQIGGLIDSKGYGVGTPIGSPYRDKITIAILQLQEEGKLHMMKEKWWRG
NGCP

Ligand information

• Ligand ID: 8VN
• InChI: InChI=1S/C7H8N2O5/c10-6(11)4-3-2(1-8-4)14-9-5(3)7(12)13/h2-4,8H,1H2,(H,10,11)(H,12,13)/t2-,3-,4-/m0/s1
• InChIKey: JMTZNIDIUDLCMK-HZLVTQRSSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: C1C2C(C(N1)C(=O)O)C(=NO2)C(=O)O
  CACTVS 3.385: OC(=O)[CH]1NC[CH]2ON=C([CH]12)C(O)=O
  CACTVS 3.385: OC(=O)[C@H]1NC[C@@H]2ON=C([C@H]12)C(O)=O
  OpenEye OEToolkits 2.0.6: C1[C@H]2[C@@H]([C@H](N1)C(=O)O)C(=NO2)C(=O)O
• Formula: C7 H8 N2 O5
• Name: (3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid
• ChEMBL: CHEMBL125440
• PDB chain: 5nf5 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5nf5 Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
• Resolution: 2.85 Å
• Binding residue (original residue number in PDB): Y61 P88 T90 R95 S141 T142 E190
• Binding residue (residue number reindexed from 1): Y58 P85 T87 R92 S138 T139 E187
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:5nf5, PDBe:5nf5, PDBj:5nf5
• PDBsum: 5nf5
• PubMed: 28691798
• UniProt: P22756|GRIK1_RAT Glutamate receptor ionotropic, kainate 1 (Gene Name=Grik1)