Structure of PDB 3oek Chain A Binding Site BS01

Receptor Information
>3oek Chain A (length=270) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QHLTVATLEERPFVIVEPADPISGTCIRDSVPCRSQLNREKRCCKGFCID
ILKRLAHTIGFSYDLYLVTNGKHGKKIDGVWNGMIGEVFYQRADMAIGSL
TINEERSEIVDFSVPFVETGISVMVARGTTVSGLSDRKFQRPQEQYPPLK
FGTVPNGSTEKNIRSNYPDMHSYMVRYNQPRVEEALTQLKAGKLDAFIYD
AAVLNYMARKDEGCKLVTIGSGKVFATTGYGIALHKGSRWKRPIDLALLQ
FLGDDEIEMLERLWLSGICH
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain3oek Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3oek Ligand-specific deactivation time course of GluN1/GluN2D NMDA receptors.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H88 T116 R121 G172 S173 T174 Y214
Binding residue
(residue number reindexed from 1)		H73 T101 R106 G157 S158 T159 Y199
Annotation score4
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:3oek, PDBe:3oek, PDBj:3oek
PDBsum3oek
PubMed21522138
UniProtQ62645|NMDE4_RAT Glutamate receptor ionotropic, NMDA 2D (Gene Name=Grin2d)

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