Structure of PDB 3kgc Chain B Binding Site BS01

Receptor Information
>3kgc Chain B (length=259) 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
KPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLSEQGLLDKLKNK
WWYDKGECG
Ligand information
Ligand IDLY7
InChIInChI=1S/C19H22N2O2S/c1-14(2)24(22,23)21-13-15(3)17-8-10-19(11-9-17)18-6-4-16(12-20)5-7-18/h4-11,14-15,21H,13H2,1-3H3/t15-/m1/s1
InChIKeyHOQAVGZLYRYHSO-OAHLLOKOSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)[S](=O)(=O)NC[C@@H](C)c1ccc(cc1)c2ccc(cc2)C#N
OpenEye OEToolkits 1.7.0C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N
OpenEye OEToolkits 1.7.0CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2)C#N
CACTVS 3.352CC(C)[S](=O)(=O)NC[CH](C)c1ccc(cc1)c2ccc(cc2)C#N
FormulaC19 H22 N2 O2 S
NameN-[(2S)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide
ChEMBL
DrugBank
ZINCZINC000000008815
PDB chain3kgc Chain A Residue 264 [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]
PDB3kgc X-ray structure, symmetry and mechanism of an AMPA-subtype glutamate receptor
Resolution1.55 Å
Binding residue
(original residue number in PDB)		P105 M107 S108 S242
Binding residue
(residue number reindexed from 1)		P102 M104 S105 S239
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:3kgc, PDBe:3kgc, PDBj:3kgc
PDBsum3kgc
PubMed19946266
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

[Back to BioLiP]