Structure of PDB 5nf6 Chain A Binding Site BS03

Receptor Information
>5nf6 Chain A (length=254) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRSLIVTTLLEEPFVMFRKSDRTLYGNDRFEGYCIDLLKELAHILGFSYE
IRLVEDGKYGAQDDKGQWNGMVKELIDHKADLAVAPLTITHVREKAIDFS
KPFMTLGVSILYRKGTPIDSADDLAKQTKIEYGAVKDGATMTFFKKSKIS
TFEKMWAFMSSKPSALVKNNEEGIQRTLTADYALLMESTTIEYITQRNCN
LTQIGGLIDSKGYGIGTPMGSPYRDKITIAILQLQEEDKLHIMKEKWWRG
SGCP
Ligand information
Ligand ID8VN
InChIInChI=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
InChIKeyJMTZNIDIUDLCMK-HZLVTQRSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1C2C(C(N1)C(=O)O)C(=NO2)C(=O)O
CACTVS 3.385OC(=O)[CH]1NC[CH]2ON=C([CH]12)C(O)=O
CACTVS 3.385OC(=O)[C@H]1NC[C@@H]2ON=C([C@H]12)C(O)=O
OpenEye OEToolkits 2.0.6C1[C@H]2[C@@H]([C@H](N1)C(=O)O)C(=NO2)C(=O)O
FormulaC7 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
ChEMBLCHEMBL125440
DrugBank
ZINC
PDB chain5nf6 Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5nf6 Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		Y61 P88 T90 R95 G140 A141 T142 E189
Binding residue
(residue number reindexed from 1)		Y59 P86 T88 R93 G138 A139 T140 E187
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.46,Ki=35nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:5nf6, PDBe:5nf6, PDBj:5nf6
PDBsum5nf6
PubMed28691798
UniProtP42264|GRIK3_RAT Glutamate receptor ionotropic, kainate 3 (Gene Name=Grik3)

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