QM/MM X-ray refinement of zinc metalloenzymes
نویسندگان
چکیده
منابع مشابه
Designing Hydrolytic Zinc Metalloenzymes
Zinc is an essential element required for the function of more than 300 enzymes spanning all classes. Despite years of dedicated study, questions regarding the connections between primary and secondary metal ligands and protein structure and function remain unanswered, despite numerous mechanistic, structural, biochemical, and synthetic model studies. Protein design is a powerful strategy for r...
متن کاملSynchrotron X-ray structure refinement of Zn4Sb3
The structure of the thermoelectric Zn4Sb3 is refined using synchrotron X-ray powder diffraction data collected at wavelengths both near to and relatively far from the Zn adsorption edge. In agreement with earlier studies, the compound crystallized in a trigonal structure, space group R3c with a = 12.2406(3)Å, c = 12.4361(3)Å at room temperature, and there are three primary sites in the asymmet...
متن کاملMethods development for diffraction and spectroscopy studies of metalloenzymes at X-ray free-electron lasers.
X-ray free-electron lasers (XFELs) open up new possibilities for X-ray crystallographic and spectroscopic studies of radiation-sensitive biological samples under close to physiological conditions. To facilitate these new X-ray sources, tailored experimental methods and data-processing protocols have to be developed. The highly radiation-sensitive photosystem II (PSII) protein complex is a prime...
متن کاملRietveld refinement of KLaTiO4 from X-ray powder data
Potassium lanthanum titanate(IV), KLaTiO(4), has been synthesized by conventional solid-state reaction. It crystallizes isotypically with the NaLnTiO(4) (Ln = La, Pr, Nd, Sm, Eu, Gd, Y and Lu) family. Five of the six atoms in the asymmetric unit (one K, one La, one Ti and two O atoms) are situated on sites with 4mm symmetry, whereas one O atom has 2mm. site symmetry. The crystal structure can b...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Inorganic Biochemistry
سال: 2010
ISSN: 0162-0134
DOI: 10.1016/j.jinorgbio.2009.12.022