Structure of PDB 3rt8 Chain A Binding Site BS01

Receptor Information
>3rt8 Chain A (length=258) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTIVVTTILESPYVMYKKNHEQLEGNERYEGYCVDLAYEIAKHVRIKYKL
SIVGDGKYGARDPETKIWNGMVGELVYGRADIAVAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLAKQTEIAYGTLDSGSTKEFFRRSKIA
VYEKMWSYMKSAEPSVFTKTTADGVARVRKSKGKFAFLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGVATPKGSALGTPVNLAVLKLSEQGILDKLKNK
WWYDKGEC
Ligand information
Ligand IDCWD
InChIInChI=1S/C7H8ClN3O4/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
InChIKeyHEHLSRRDKJVHOM-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Cl
CACTVS 3.370N[C@@H](CN1C=C(Cl)C(=O)NC1=O)C(O)=O
ACDLabs 12.01O=C(O)C(N)CN1C=C(Cl)C(=O)NC1=O
OpenEye OEToolkits 1.7.2C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)Cl
CACTVS 3.370N[CH](CN1C=C(Cl)C(=O)NC1=O)C(O)=O
FormulaC7 H8 Cl N3 O4
Name3-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine;
chlorowillardiine
ChEMBLCHEMBL121388
DrugBank
ZINC
PDB chain3rt8 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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PDB3rt8 Mechanisms of Modal Activation of GluA3 Receptors.
Resolution2.426 Å
Binding residue
(original residue number in PDB)		Y61 T91 R96 G141 S142 T143 L192 E193
Binding residue
(residue number reindexed from 1)		Y58 T88 R93 G138 S139 T140 L189 E190
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.35,Ki=451nM
BindingDB: Ki=451nM
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
View graph for
Cellular Component
External links
PDB RCSB:3rt8, PDBe:3rt8, PDBj:3rt8
PDBsum3rt8
PubMed21464198
UniProtP19492|GRIA3_RAT Glutamate receptor 3 (Gene Name=Gria3)

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