Structure of PDB 4g8n Chain A Binding Site BS01

Receptor Information
>4g8n Chain A (length=255) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNRSLIVTTLLEEPFVMFRKSDRTLYGNDRFEGYCIDLLKELAHILGFSY
EIRLVEDGKYGAQDDKGQWNGMVKELIDHKADLAVAPLTITHVREKAIDF
SKPFMTLGVSILYRKGTPIDSADDLAKQTKIEYGAVKDGATMTFFKKSKI
STFEKMWAFMSSKPSALVKNNEEGIQRTLTADYALLMESTTIEYITQRNC
NLTQIGGLIDSKGYGIGTPMGSPYRDKITIAILQLQEEDKLHIMKEKWWR
GSGCP
Ligand information
Ligand IDG8M
InChIInChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5+/m1/s1
InChIKeySRAFHGOPGVYULO-WISUUJSJSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1CC(C1C(C(=O)O)N)C(=O)O
CACTVS 3.370N[C@@H]([C@@H]1CC[C@@H]1C(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(N)C1CCC1C(=O)O
OpenEye OEToolkits 1.7.6C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH]([CH]1CC[CH]1C(O)=O)C(O)=O
FormulaC7 H11 N O4
Name(1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid;
(2S,1'R,2'S)-2-(2'-carboxycyclobutyl)glycine
ChEMBLCHEMBL384474
DrugBank
ZINC
PDB chain4g8n Chain A Residue 301 [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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PDB4g8n Pharmacological and structural characterization of conformationally restricted (S)-glutamate analogues at ionotropic glutamate receptors.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Y63 T92 R97 G142 A143 T144 E191
Binding residue
(residue number reindexed from 1)		Y60 T89 R94 G139 A140 T141 E188
Annotation score1
Binding affinityMOAD: Kd=63nM
PDBbind-CN: -logKd/Ki=7.20,Kd=63nM
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
View graph for
Cellular Component
External links
PDB RCSB:4g8n, PDBe:4g8n, PDBj:4g8n
PDBsum4g8n
PubMed22789682
UniProtP42264|GRIK3_RAT Glutamate receptor ionotropic, kainate 3 (Gene Name=Grik3)

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