Structure of PDB 3s9e Chain A Binding Site BS01

Receptor Information

>3s9e Chain A (length=253) Species: 10116 (Rattus norvegicus)

GTNRSLIVTTLLEEPFVMFRKSDRTLYGNDRFEGYCIDLLKELAHILGFS
YEIRLVEDGKYGAQDDKGQWNGMVKELIDHKADLAVAPLTITHVREKAID
FSKPFMTLGVSILYRKGTPIDSADDLAKQTKIEYGAVKDGATMTFFKKSK
ISTFEKMWAFMSSKPSALVKNNEEGIQRTLTADYALLMESTTIEYITQRN
CNLTQIGGLIDSKGYGIGTPMGSPYRDKITIAILQLQEEDKLHIMKEKWW
RCP

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: 3s9e Chain A Residue 259

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3s9e Binding site and interlobe interactions of the ionotropic glutamate receptor GluK3 ligand binding domain revealed by high resolution crystal structure in complex with (S)-glutamate.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): Y63 L91 T92 R97 G142 A143 T144 E191
• Binding residue (residue number reindexed from 1): Y61 L89 T90 R95 G140 A141 T142 E189
• Annotation score: 1
• Binding affinity: PDBbind-CN: -logKd/Ki=5.13,Ki=7.43uM

Gene Ontology

Molecular Function

• GO:0015276 ligand-gated monoatomic ion channel activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3s9e, PDBe:3s9e, PDBj:3s9e
• PDBsum: 3s9e
• PubMed: 21907808
• UniProt: P42264|GRIK3_RAT Glutamate receptor ionotropic, kainate 3 (Gene Name=Grik3)