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Structure of PDB 3fat Chain B Binding Site BS01

Receptor Information
>3fat Chain B (length=258) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRTVVVTTIMESPYVMYKKNHEMFEGNDKYEGYCVDLASEIAKHIGIKYK
IAIVPDGKYGARDADTKIWNGMVGELVYGKAEIAIAPLTITLVREEVIDF
SKPFMSLGISIMIKKGTPIESAEDLAKQTEIAYGTLDSGSTKEFFRRSKI
AVYEKMWTYMRSAEPSVFTRTTAEGVARVRKSKGKFAFLLESTMNEYIEQ
RKPCDTMKVGGNLDSKGYGVATPKGSSLRTPVNLAVLKLSEAGVLDKLKN
KWWYDGEC
Ligand information
Ligand IDAMQ
InChIInChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyUUDAMDVQRQNNHZ-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(c(no1)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0Cc1c(c(no1)O)CC(C(=O)O)N
CACTVS 3.341Cc1onc(O)c1C[CH](N)C(O)=O
CACTVS 3.341Cc1onc(O)c1C[C@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1c(onc1O)C
FormulaC7 H10 N2 O4
Name(S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID;
AMPA
ChEMBLCHEMBL276815
DrugBankDB02057
ZINCZINC000002047472
PDB chain3fat Chain B Residue 428 [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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PDB3fat Molecular mechanism of agonist recognition by the ligand-binding core of the ionotropic glutamate receptor 4
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y59 T89 R94 L136 S140 T141 L190 E191
Binding residue
(residue number reindexed from 1)		Y59 T89 R94 L136 S140 T141 L190 E191
Annotation score1
Binding affinityMOAD: Kd=22.8nM
BindingDB: Ki=40nM
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:3fat, PDBe:3fat, PDBj:3fat
PDBsum3fat
PubMed19022251
UniProtP19493|GRIA4_RAT Glutamate receptor 4 (Gene Name=Gria4)

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