4y0s

Goat beta-lactoglobulin complex with pramocaine (GLG-PRM)

spinqualitylabelsall models 4y0s, resolution 1.90Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4y0s is a 1 chain structure with sequence from Capra hircus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.9Å Ligands: PX9, SO4 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function LACB_CAPHI Primary component of whey, it binds retinol and is probably involved in the transport of that molecule. Publication Abstract from PubMed Interactions between bovine and goat beta-lactoglobulin and tetracaine and pramocaine were investigated with isothermal titration calorimetry, X-ray crystallography and molecular modelling. Tetracaine and pramocaine binding to lactoglobulin is an entropy driven endothermic reaction. In this work, we found that determined association constants and thermodynamic parameters indicate that pramocaine has a higher affinity to lactoglobulin than tetracaine. Crystal structures that were determined with resolutions in the range from 1.90 to 2.30A revealed in each case the presence of a single drug molecule bound in the beta-barrel in a mode similar to that observed for 14- and 16-carbon fatty acids. The position of the ligand in the beta-barrel indicates the optimal fit of 6-carbon aromatic rings to the binding pocket and the major role of hydrophobic interactions in ligand binding. Calculations of tetracaine and pramocaine docking to lactoglobulin revealed that molecular modelling overestimated the role of polar protein-drug interactions. beta-Lactoglobulin interactions with local anaesthetic drugs - Crystallographic and calorimetric studies.,Loch JI, Bonarek P, Polit A, Jablonski M, Czub M, Ye X, Lewinski K Int J Biol Macromol. 2015 Jun 16;80:87-94. doi: 10.1016/j.ijbiomac.2015.06.013. PMID:26092174 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Beta-lactoglobulin 3D structures

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