1oxr
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(New page: 200px<br /><applet load="1oxr" size="450" color="white" frame="true" align="right" spinBox="true" caption="1oxr, resolution 1.93Å" /> '''Aspirin induces its ...)
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Revision as of 21:09, 20 November 2007
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Aspirin induces its Anti-inflammatory effects through its specific binding to Phospholipase A2: Crystal structure of the complex formed between Phospholipase A2 and Aspirin at 1.9A resolution
Overview
Phospholipase A2 is potentially an important target for structure-based, rational drug design. In order to determine the involvement of, phospholipase A2 in the action of non-steroidal anti-inflammatory drugs, (NSAIDs), the crystal structure of the complex formed between, phospholipase A2 and aspirin has been determined at 1.9 angstroms, resolution. The structure contains 915 protein atoms, 1 calcium ion, 13, atoms of aspirin and 105 water molecules. The observed electron density of, the aspirin molecule in the structure was of very high quality thus, allowing the precise determination of its atomic coordinates leading to, the clear description of its interactions with the enzyme. The structure, of the complex clearly shows that aspirin is literally embedded in the, hydrophobic environment of PLA2. It is so placed in the substrate binding, channel that it forms several important attractive interactions with, calcium ion, His 48 and Asp 49. Thus, the structure of the complex clearly, shows that aspirin occupies a favourable place in the specific binding, site of PLA2. The binding studies have shown that acetyl salicylate, (aspirin) binds to PLA2 enzyme specifically with a dissociation constant, of 6.4 x 10(-6) M. The structural details and binding data suggest that, the inhibition of PLA2 by aspirin is of pharmacological
About this Structure
1OXR is a Single protein structure of sequence from Naja sagittifera with AIN and CA as ligands. Active as Phospholipase A(2), with EC number 3.1.1.4 Full crystallographic information is available from OCA.
Reference
Aspirin induces its anti-inflammatory effects through its specific binding to phospholipase A2: crystal structure of the complex formed between phospholipase A2 and aspirin at 1.9 angstroms resolution., Singh RK, Ethayathulla AS, Jabeen T, Sharma S, Kaur P, Singh TP, J Drug Target. 2005 Feb;13(2):113-9. PMID:15823962
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