Structure of PDB 3fas Chain A Binding Site BS01

Receptor Information
>3fas Chain A (length=260) 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
KWWYDKGECG
Ligand information
Ligand IDGLU
InChIInChI=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
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain3fas Chain A Residue 270 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fas Molecular mechanism of agonist recognition by the ligand-binding core of the ionotropic glutamate receptor 4
Resolution1.4 Å
Binding residue
(original residue number in PDB)		Y59 L88 T89 R94 G139 S140 T141 E191
Binding residue
(residue number reindexed from 1)		Y59 L88 T89 R94 G139 S140 T141 E191
Annotation score1
Binding affinityMOAD: Ki=171nM
PDBbind-CN: -logKd/Ki=6.77,Ki=171nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:3fas, PDBe:3fas, PDBj:3fas
PDBsum3fas
PubMed19022251
UniProtP19493|GRIA4_RAT Glutamate receptor 4 (Gene Name=Gria4)

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