Structure of PDB 4u21 Chain B Binding Site BS01

Receptor Information
>4u21 Chain B (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
RKPCDTMKVGGNLDSKGYGIATPKGSSLGTPVNLAVLKLSEQGVLDKLKN
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 chain4u21 Chain B 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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PDB4u21 Structure and Dynamics of AMPA Receptor GluA2 in Resting, Pre-Open, and Desensitized States.
Resolution1.3908 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 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

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:4u21, PDBe:4u21, PDBj:4u21
PDBsum4u21
PubMed25109876
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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