Ab initio structure determination of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2 at atomic and high resolution using ACORN
نویسندگان
چکیده
D. Velmurugan, V. Rajakannan, D. Gayathri, S. Banumathi, T. Yamane, Z. Dauter, M. Dauter and K. Sekar* Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India Synchrotron Radiation Research Section, NCI and Brookhaven National Laboratory, Building 725A-X9, Upton, NY 11973, USA Department of Biotechnology and Biomaterial Science Graduate School of Engineering, Nagoya University, Furo-cho, Chikusa-ku, Nagoya 464-8603, Japan SAIC-Frederick Inc., Basic Research Program, Brookhaven National Laboratory, Building 725A-X9, Upton, NY 11973, USA Bioinformatics Centre and Supercomputer Education and Research Centre, Indian Institute of Science, Bangalore 560 012, India
منابع مشابه
Atomic resolution (0.97 A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2.
The enzyme phospholipase A2 catalyzes the hydrolysis of the sn-2 acyl chain of phospholipids, forming fatty acids and lysophospholipids. The crystal structure of a triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2 in which the lysine residues at positions 53, 56 and 121 are replaced recombinantly by methionines has been determined at atomic resolution (0.97 A). The crystal is mo...
متن کاملCrystal structures of the free and anisic acid bound triple mutant of phospholipase A2.
Phospholipase A2 catalyses the hydrolysis of the ester bond of 3-sn-phosphoglycerides. Here, we report the crystal structures of the free and anisic acid-bound triple mutant (K53,56,120M) of bovine pancreatic phospholipase A2. In the bound triple mutant structure, the small organic molecule p-anisic acid is found in the active site, and one of the carboxylate oxygen atoms is coordinated to the ...
متن کاملX-ray structure of bovine pancreatic phospholipase A2 at atomic resolution.
Using synchrotron radiation and a CCD camera, X-ray data have been collected from wild-type bovine pancreatic phospholipase A(2) at 100 K to 0.97 A resolution allowing full anisotropic refinement. The final model has a conventional R factor of 9.44% for all reflections, with a mean standard uncertainty for the positional parameters of 0.031 A as calculated from inversion of the full positional ...
متن کاملA redetermination of the structure of the triple mutant (K53,56,120M) of phospholipase A2 at 1.6 A resolution using sulfur-SAS at 1.54 A wavelength.
The crystal structure of the triple mutant K53,56,120M of bovine pancreatic phospholipase A(2) has been redetermined using sulfur single-wavelength anomalous scattering. The synchrotron data were collected at lambda = 1.54 A and the crystal diffracted to 1.6 A resolution. The program SOLVE was used to locate the heavy atoms and to estimate the initial phases and the resulting map was then subje...
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Structural and magnetic properties of purine and pyrimidine nucleotides (CMP, UMP, dTMP, AMP, GMP, IMP) were studied at different levels of ab initio molecular orbital theory. These calculations were performed at the hartree-fock level and density functional B3LYP methods. Geometries were fully optimized by following Cs symmetry restrictions. The standard 6-31G** basis set which includes polari...
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تاریخ انتشار 2006