Structure of PDB 4g8m Chain B Binding Site BS01

Receptor Information
>4g8m Chain B (length=263) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GANKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFK
YKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVI
DFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRS
KIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYI
EQRKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKL
KNKWWYDKGECGS
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 chain4g8m Chain B Residue 901 [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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PDB4g8m Pharmacological and structural characterization of conformationally restricted (S)-glutamate analogues at ionotropic glutamate receptors.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		Y58 T88 R93 L135 G138 S139 T140 E190
Binding residue
(residue number reindexed from 1)		Y61 T91 R96 L138 G141 S142 T143 E193
Annotation score1
Binding affinityMOAD: Kd=12.8nM
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:4g8m, PDBe:4g8m, PDBj:4g8m
PDBsum4g8m
PubMed22789682
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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