Structure of PDB 2al4 Chain C Binding Site BS02

Receptor Information
>2al4 Chain C (length=258) 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
WWYDKGEC
Ligand information
Ligand IDCX6
InChIInChI=1S/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2/t12-/m1/s1
InChIKeyRQEPVMAYUINZRE-GFCCVEGCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c2c(cc3c1OCCO3)OC4CCCN4C2=O
ACDLabs 10.04O=C1c3c(OC2N1CCC2)cc4OCCOc4c3
OpenEye OEToolkits 1.5.0c1c2c(cc3c1OCCO3)O[C@@H]4CCCN4C2=O
CACTVS 3.341O=C1N2CCC[CH]2Oc3cc4OCCOc4cc13
CACTVS 3.341O=C1N2CCC[C@H]2Oc3cc4OCCOc4cc13
FormulaC13 H13 N O4
Name2,3,6A,7,8,9-HEXAHYDRO-11H-[1,4]DIOXINO[2,3-G]PYRROLO[2,1-B][1,3]BENZOXAZIN-11-ONE
ChEMBL
DrugBankDB07598
ZINCZINC000003959449
PDB chain2al4 Chain C Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2al4 Mechanism of positive allosteric modulators acting on AMPA receptors.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		P105 M107 S108 K218 G219
Binding residue
(residue number reindexed from 1)		P102 M104 S105 K215 G216
Annotation score1
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:2al4, PDBe:2al4, PDBj:2al4
PDBsum2al4
PubMed16192394
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

[Back to BioLiP]