Structure of PDB 4u22 Chain A Binding Site BS01

Receptor Information
>4u22 Chain A (length=262) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKY
KLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVID
FSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSK
IAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIE
QRKPCDTMKVGGNLDSKGYGIATPKGSSLGTPVNLAVLKLSEQGVLDKLK
NKWWYDKGECGS
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 chain4u22 Chain A Residue 401 [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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PDB4u22 Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Resolution1.4409 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)		Y60 L89 T90 R95 L137 G140 S141 T142 L191 E192 M195
Annotation score1
Binding affinityBindingDB: 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

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Molecular Function
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Cellular Component
External links
PDB RCSB:4u22, PDBe:4u22, PDBj:4u22
PDBsum4u22
PubMed25109876
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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