3qlm

Crystal structure of porcine pancreatic phospholipase A2 in complex with n-hexadecanoic acid

spinqualitylabelsall models 3qlm, resolution 2.50Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3qlm is a 1 chain structure with sequence from Sus scrofa. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: CA, PLM Related: 3o4m, 3hsw, 3l30, 3l69, 2b00, 2b01, 2b04, 2b03 Activity: Phospholipase A(2), with EC number 3.1.1.4 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [PA21B_PIG] PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides. Publication Abstract from PubMed Ester bond hydrolysis of membrane phospholipids by Phospholipase A(2) and consequent release of fatty acids is the initiating step of inflammation. It is proposed here that the inhibition of PLA(2) is one of the ways to control inflammation. Investigations are done to identify the mode of inhibition of PLA(2) by the n-hexadecanoic acid. It may help designing of specific inhibitors of PLA(2) as anti-inflammatory agents. The enzyme kinetics study proved that n-hexadecanoic acid inhibits PLA(2) in a competitive manner. It was identified from the crystal structure at 2.5A resolution that the position of n-hexadecanoic acid is in the active site of the PLA(2) . The binding constant and binding energy have also been calculated using Isothermal Titration Calorimetry. Also, the binding energy of n-hexadecanoic acid to PLA(2) was calculated by in silico method and compared with known inhibitors. It may be concluded from the structural and kinetics studies that the fatty acid, n-hexadecanoic acid, is an inhibitor of PLA(2) . The inferences from the present study validate the rigorous use of medicated oils rich in n-hexadecanoic acid for the treatment of rheumatic symptoms in the traditional medical system of India, Ayurveda. (c) 2012 John Wiley & Sons A/S. Anti-inflammatory property of n-hexadecanoic acid: Structural evidence and Kinetic assessment.,Aparna V, Dileep KV, Mandal PK, Karthe P, Sadasivan C, Haridas M Chem Biol Drug Des. 2012 May 29. doi: 10.1111/j.1747-0285.2012.01418.x. PMID:22642495 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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