Structure of PDB 1mqg Chain B Binding Site BS01

Receptor Information
>1mqg Chain B (length=260) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYK
LTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDF
SKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKI
AVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQ
RKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKN
KWWYDKGECG
Ligand information
Ligand IDIWD
InChIInChI=1S/C7H8IN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1
InChIKeyAXXYLTBQIQBTES-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)CN1C=C(I)C(=O)NC1=O
CACTVS 3.341N[C@@H](CN1C=C(I)C(=O)NC1=O)C(O)=O
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)I
OpenEye OEToolkits 1.5.0C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I
CACTVS 3.341N[CH](CN1C=C(I)C(=O)NC1=O)C(O)=O
FormulaC7 H8 I N3 O4
Name2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID;
IODO-WILLARDIINE
ChEMBLCHEMBL121915
DrugBankDB02818
ZINCZINC000002047688
PDB chain1mqg Chain B Residue 302 [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]
PDB1mqg Structural basis for partial agonist action at ionotropic glutamate receptors
Resolution2.15 Å
Binding residue
(original residue number in PDB)		Y61 L90 T91 R96 G141 S142 T143 L192 E193 M196
Binding residue
(residue number reindexed from 1)		Y59 L88 T89 R94 G139 S140 T141 L190 E191 M194
Annotation score1
Binding affinityMOAD: ic50=0.52uM
BindingDB: Ki=105nM
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:1mqg, PDBe:1mqg, PDBj:1mqg
PDBsum1mqg
PubMed12872125
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

[Back to BioLiP]