Structure of PDB 2p2a Chain B Binding Site BS01

Receptor Information
>2p2a Chain B (length=255) 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
WWYEC
Ligand information
Ligand IDMP9
InChIInChI=1S/C14H14N6O4/c15-10(14(22)23)6-9-11(24-18-13(9)21)12-16-19-20(17-12)7-8-4-2-1-3-5-8/h1-5,10H,6-7,15H2,(H,18,21)(H,22,23)/t10-/m0/s1
InChIKeyZNMNDDBPIVAUGG-JTQLQIEISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1c(onc1O)c2nn(nn2)Cc3ccccc3
OpenEye OEToolkits 1.5.0c1ccc(cc1)Cn2nc(nn2)c3c(c(no3)O)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c(O)noc1c2nnn(Cc3ccccc3)n2)C(O)=O
CACTVS 3.341N[C@@H](Cc1c(O)noc1c2nnn(Cc3ccccc3)n2)C(O)=O
FormulaC14 H14 N6 O4
Name2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-5-TETRAZOLYL)-4-ISOXAZOLYL]-PROPIONIC ACID;
3-[5-(2-BENZYL-2H-TETRAZOL-5-YL)-3-HYDROXYISOXAZOL-4-YL]-L-ALANINE;
2-BN-TET-AMPA
ChEMBL
DrugBank
ZINCZINC000016052344
PDB chain2p2a Chain B Residue 802 [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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PDB2p2a A tetrazolyl-substituted subtype-selective AMPA receptor agonist.
Resolution2.26 Å
Binding residue
(original residue number in PDB)		S11 Y13 Y58 P86 L87 T88 R93 G138 S139 T140 E190 T192 M193 Y217
Binding residue
(residue number reindexed from 1)		S11 Y13 Y58 P86 L87 T88 R93 G138 S139 T140 E190 T192 M193 Y217
Annotation score1
Binding affinityMOAD: Ki=0.75uM
PDBbind-CN: -logKd/Ki=6.12,Ki=0.75uM
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:2p2a, PDBe:2p2a, PDBj:2p2a
PDBsum2p2a
PubMed17455929
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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