Crystal structure determination of sheep (Ovis aries) methemoglobin at 2.7 Å resolution

Abstract

Human carbonic anhydrases are potential drug targets for a number of diseases. One of the novel applications is to use some of their isozymes as anti-cancer drug targets. Structure-thermodynamic property relations of novel hCA thiadiazole class inhibitors with a triple-ring system bound to hCAII will be discussed. Structures of several inhibitors are solved to atomic resolution using X-ray diffraction of hCAII-inhibitor complex crystals. The structural data are correlated with the isothermal titration calorimetry measurements. The calorimetric data together with the structures provide insight into the structural base of the tight and selective hCA inhibitor binding.