Structure of PDB 3pd8 Chain A Binding Site BS02

Receptor Information
>3pd8 Chain A (length=259) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKL
TIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFS
KPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIA
VFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNK
WWYDKGECG
Ligand information
Ligand IDHA7
InChIInChI=1S/C7H8N2O4/c10-6-3-1-2-8-4(7(11)12)5(3)13-9-6/h4,8H,1-2H2,(H,9,10)(H,11,12)/t4-/m0/s1
InChIKeyYRSIGIYXZNQZCI-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)[C@H]1NCCc2c(O)noc12
OpenEye OEToolkits 1.7.5C1CN[C@@H](c2c1c(no2)O)C(=O)O
OpenEye OEToolkits 1.7.5C1CNC(c2c1c(no2)O)C(=O)O
CACTVS 3.385OC(=O)[CH]1NCCc2c(O)noc12
FormulaC7 H8 N2 O4
Name(7S)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-7-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain3pd8 Chain A Residue 261 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pd8 Biostructural and pharmacological studies of bicyclic analogues of the 3-isoxazolol glutamate receptor agonist ibotenic acid.
Resolution2.476 Å
Binding residue
(original residue number in PDB)		Y58 P86 L87 T88 R93 L135 G138 S139 T140 E190 M193
Binding residue
(residue number reindexed from 1)		Y58 P86 L87 T88 R93 L135 G138 S139 T140 E190 M193
Annotation score1
Binding affinityMOAD: Ki=108nM
PDBbind-CN: -logKd/Ki=6.46,Ki=348nM
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:3pd8, PDBe:3pd8, PDBj:3pd8
PDBsum3pd8
PubMed21067182
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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