Structure of PDB 3dp4 Chain A Binding Site BS01
Receptor Information
>3dp4 Chain A (length=258) Species:
10116
(Rattus norvegicus) [
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RTIVVTTILESPYVMYKKNHEQLEGNERYEGYCVDLAYEIAKHVRIKYKL
SIVGDGKYGARDPETKIWNGMVGELVYGRADIAVAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLAKQTEIAYGTLDSGSTKEFFRRSKIA
VYEKMWSYMKSAEPSVFTKTTADGVARVRKSKGKFAFLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGVATPKGSALGTPVNLAVLKLSEQGILDKLKNK
WWYDKGEC
Ligand information
Ligand ID
AMQ
InChI
InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKey
UUDAMDVQRQNNHZ-YFKPBYRVSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
Cc1c(c(no1)O)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0
Cc1c(c(no1)O)CC(C(=O)O)N
CACTVS 3.341
Cc1onc(O)c1C[CH](N)C(O)=O
CACTVS 3.341
Cc1onc(O)c1C[C@H](N)C(O)=O
ACDLabs 10.04
O=C(O)C(N)Cc1c(onc1O)C
Formula
C7 H10 N2 O4
Name
(S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID;
AMPA
ChEMBL
CHEMBL276815
DrugBank
DB02057
ZINC
ZINC000002047472
PDB chain
3dp4 Chain A Residue 374 [
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Receptor-Ligand Complex Structure
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PDB
3dp4
Structure of the S1S2 glutamate binding domain of GLuR3.
Resolution
2.11 Å
Binding residue
(original residue number in PDB)
Y61 L90 T91 R96 G141 S142 T143 L192 E193 M196
Binding residue
(residue number reindexed from 1)
Y58 L87 T88 R93 G138 S139 T140 L189 E190 M193
Annotation score
1
Binding affinity
MOAD
: Kd=43nM
PDBbind-CN
: -logKd/Ki=7.37,Kd=43nM
BindingDB: Ki=21nM
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:3dp4
,
PDBe:3dp4
,
PDBj:3dp4
PDBsum
3dp4
PubMed
19003990
UniProt
P19492
|GRIA3_RAT Glutamate receptor 3 (Gene Name=Gria3)
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