Structure of PDB 5ng9 Chain A Binding Site BS01

Receptor Information
>5ng9 Chain A (length=263) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GANKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFK
YKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVI
DFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRS
KIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYI
EQRKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKL
KNKWWYDKGECGS
Ligand information
Ligand ID8VN
InChIInChI=1S/C7H8N2O5/c10-6(11)4-3-2(1-8-4)14-9-5(3)7(12)13/h2-4,8H,1H2,(H,10,11)(H,12,13)/t2-,3-,4-/m0/s1
InChIKeyJMTZNIDIUDLCMK-HZLVTQRSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1C2C(C(N1)C(=O)O)C(=NO2)C(=O)O
CACTVS 3.385OC(=O)[CH]1NC[CH]2ON=C([CH]12)C(O)=O
CACTVS 3.385OC(=O)[C@H]1NC[C@@H]2ON=C([C@H]12)C(O)=O
OpenEye OEToolkits 2.0.6C1[C@H]2[C@@H]([C@H](N1)C(=O)O)C(=NO2)C(=O)O
FormulaC7 H8 N2 O5
Name(3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid
ChEMBLCHEMBL125440
DrugBank
ZINC
PDB chain5ng9 Chain A Residue 304 [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]
PDB5ng9 Structure and Affinity of Two Bicyclic Glutamate Analogues at AMPA and Kainate Receptors.
Resolution1.15 Å
Binding residue
(original residue number in PDB)		Y61 P89 T91 R96 L138 G141 S142 T143 E193
Binding residue
(residue number reindexed from 1)		Y61 P89 T91 R96 L138 G141 S142 T143 E193
Annotation score1
Binding affinityMOAD: Ki=191nM
PDBbind-CN: -logKd/Ki=6.72,Ki=191nM
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:5ng9, PDBe:5ng9, PDBj:5ng9
PDBsum5ng9
PubMed28691798
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

[Back to BioLiP]