Structure of PDB 4lz8 Chain B Binding Site BS04

Receptor Information
>4lz8 Chain B (length=257) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKLT
IVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFSK
PFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIAV
FDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQRK
PCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLNEQGLLDKLKNKW
WYDKGEC
Ligand information
Ligand ID1YX
InChIInChI=1S/C19H27FN4O4S/c1-12(2)29(26,27)21-10-16-9-18(23-28-16)14-4-5-19(17(20)8-14)24-7-6-15(11-24)22-13(3)25/h4-5,8,12,15-16,21H,6-7,9-11H2,1-3H3,(H,22,25)/t15-,16-/m0/s1
InChIKeyXCANXEILGPMNGT-HOTGVXAUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)S(=O)(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CC[C@@H](C3)NC(=O)C
ACDLabs 12.01O=C(NC3CCN(c2c(F)cc(C1=NOC(C1)CNS(=O)(=O)C(C)C)cc2)C3)C
CACTVS 3.385CC(C)[S](=O)(=O)NC[C@@H]1CC(=NO1)c2ccc(N3CC[C@@H](C3)NC(C)=O)c(F)c2
OpenEye OEToolkits 1.7.6CC(C)S(=O)(=O)NCC1CC(=NO1)c2ccc(c(c2)F)N3CCC(C3)NC(=O)C
CACTVS 3.385CC(C)[S](=O)(=O)NC[CH]1CC(=NO1)c2ccc(N3CC[CH](C3)NC(C)=O)c(F)c2
FormulaC19 H27 F N4 O4 S
NameN-[(3S)-1-{2-fluoro-4-[(5S)-5-{[(propan-2-ylsulfonyl)amino]methyl}-4,5-dihydro-1,2-oxazol-3-yl]phenyl}pyrrolidin-3-yl]acetamide
ChEMBLCHEMBL3109791
DrugBank
ZINCZINC000095921016
PDB chain4lz8 Chain B Residue 805 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4lz8 Discovery and Characterization of a Novel Dihydroisoxazole Class of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) Receptor Potentiators.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		K493 P494 F495 M496 S497 K730 V750 L751 N754
Binding residue
(residue number reindexed from 1)		K100 P101 F102 M103 S104 K214 V234 L235 N238
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:4lz8, PDBe:4lz8, PDBj:4lz8
PDBsum4lz8
PubMed24215237
UniProtP19491|GRIA2_RAT Glutamate receptor 2 (Gene Name=Gria2)

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