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Structure Report for: 5KRE

Name|Crystal Structure of human LYLPLAL1 with a covalent inhibitor
Revelation date|20-Jul-2016
Family|LYsophospholipase_carboxylesterase: there are 349 genes in this family, 27 structure(s)
PDB File|ESTHER: header of PDB entry RCSB: Full entry
N1-substituted triazole urea previously disclosed as an inhibitor of ABHD6 KT195 was modified as N2-substituted isomer and shown to inhibit LYPLAL1. The compound 2 inhibited also other alpha/beta hydrolases and some SGNH hydrolase-type esterase (PAFAH1B2-3), but compound 11 and 12 are specific. The adduct in the structure is the small (R)-2-phenylpiperidine-1-carbonyl
Ligand|Inhibitor: Piperidinyl-1,2,3-triazole-urea-inhibitor-2 Ligand in structure: Ligplot Ligand: 2-phenylpiperidine-1-carboxylic-acid Ligand in structure: Ligplot


    Title: Discovery of a Selective Covalent Inhibitor of Lysophospholipase-like 1 (LYPLAL1) as a Tool to Evaluate the Role of this Serine Hydrolase in Metabolism
    Ahn K, Boehm M, Brown MF, Calloway J, Che Y, Chen J, Fennell KF, Geoghegan KF, Gilbert AM and Yan J <19 more author(s)>
    Ref: ACS Chemical Biology, 11:2529, 2016 : PubMed


Representative scheme of LYsophospholipase_carboxylesterase structure and an image from PDBsum server


PDB-Sum5KRE Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server
FSSP5KRE Fold classification based on Structure-Structure alignment of Proteins - FSSP server
SCOP5KRE Structural Classification Of Protein - SCOP server
PROTEOPEDIA5kre 3D, interactive encyclopedia of proteins - PROTEOPEDIA server

Send your questions or comments to :
Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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