Structure of PDB 2al5 Chain A Binding Site BS01

Receptor Information
>2al5 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]
NKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYK
LTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDF
SKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKI
AVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQ
RKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKN
KWWYDKGECG
Ligand information
Ligand IDFWD
InChIInChI=1S/C7H8FN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
InChIKeyDBWPFHJYSTVBCZ-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CN1C=C(F)C(=O)NC1=O
CACTVS 3.385N[C@@H](CN1C=C(F)C(=O)NC1=O)C(O)=O
OpenEye OEToolkits 1.7.6C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F
CACTVS 3.385N[CH](CN1C=C(F)C(=O)NC1=O)C(O)=O
OpenEye OEToolkits 1.7.6C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)F
FormulaC7 H8 F N3 O4
Name2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID;
FLUORO-WILLARDIINE
ChEMBLCHEMBL123132
DrugBankDB02966
ZINCZINC000002530708
PDB chain2al5 Chain A 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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PDB2al5 Mechanism of positive allosteric modulators acting on AMPA receptors.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		Y61 L90 T91 R96 L138 G141 S142 T143 L192 E193 M196
Binding residue
(residue number reindexed from 1)		Y59 L88 T89 R94 L136 G139 S140 T141 L190 E191 M194
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=8.40,Ki=4nM
BindingDB: Ki=4nM,EC50=460nM
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:2al5, PDBe:2al5, PDBj:2al5
PDBsum2al5
PubMed16192394
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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