Structure of PDB 1m5d Chain A Binding Site BS01

Receptor Information
>1m5d Chain A (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
VFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAFLLESTMNEYIEQR
KPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNK
WWYDKGEC
Ligand information
Ligand IDBRH
InChIInChI=1S/C6H7BrN2O4/c7-4-3(13-9-5(4)10)1-2(8)6(11)12/h2H,1,8H2,(H,9,10)(H,11,12)
InChIKeyJRTOQOAGTSUNHA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(c1c(c(no1)O)Br)C(C(=O)O)N
ACDLabs 10.04Brc1c(onc1O)CC(C(=O)O)N
CACTVS 3.341NC(Cc1onc(O)c1Br)C(O)=O
FormulaC6 H7 Br N2 O4
Name(S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID;
BR-HIBO
ChEMBLCHEMBL73698
DrugBank
ZINC
PDB chain1m5d Chain A Residue 611 [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]
PDB1m5d Structural Basis for AMPA Receptor Activation and Ligand Selectivity: Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding Core
Resolution1.73 Å
Binding residue
(original residue number in PDB)		E13 Y61 T91 R96 L138 G141 S142 T143 L192 E193
Binding residue
(residue number reindexed from 1)		E10 Y58 T88 R93 L135 G138 S139 T140 L189 E190
Annotation score1
Binding affinityMOAD: ic50=9.2uM
PDBbind-CN: -logKd/Ki=5.04,IC50=9.2uM
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:1m5d, PDBe:1m5d, PDBj:1m5d
PDBsum1m5d
PubMed12215417
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

[Back to BioLiP]