The solution structure of bovine pancreatic trypsin inhibitor (BPTI) at a pressure of 2 kbar is presented. The structure was calculated as a change from an energy-minimized low-pressure structure, using (1)H chemical shifts as restraints. The structure has changed by 0.24 A RMS, and has almost unchanged volume. The largest changes as a result of pressure are in the loop 10-16, which contains th...

We report the high-resolution crystal structures of an extensively simplified variant of bovine pancreatic trypsin inhibitor containing 20 alanines (BPTI-20st) and a reference single-disulfide-bonded variant (BPTI-[5,55]st) at, respectively, 1.39 and 1.09 A resolutions. The sequence was simplified based on the results of an alanine scanning experiment, as reported previously. The effects of the...

Prediction of protein stability upon amino acid substitutions is an important problem in molecular biology and the solving of which would help for designing stable mutants. In this work, we have analyzed the stability of protein mutants using two different datasets of 1396 and 2204 mutants obtained from ProTherm database, respectively for free energy change due to thermal (DeltaDeltaG) and dena...

Recommended methods for disposal of aluminium phosphide may involve burial. A range of aluminium phosphide preparations used for fumigation consisting of partially spent, and unspent commercial phosphine (PH3) generating aluminium phosphide formulations (blankets and sachets, pellets, and tablets), was buried for 19 months. Phosphine produced by the formulations during this period was monitored...

The energy contribution resulting from cation-π interactions and free energy of folding has been computed for 18 laccase enzymes. The contribution of these cation-π interacting residues in secondary structure involvement, solvent accessibility, stabilization centers and structural stability has been evaluated. Secondary structure of the cation-π involving residues show that, Arg and Lys prefers...

CC chemokine ligand 5 (CCL5) and CCL3 are critical for immune surveillance and inflammation. Consequently, they are linked to the pathogenesis of many inflammatory conditions and are therapeutic targets. Oligomerization and glycosaminoglycan (GAG) binding of CCL5 and CCL3 are vital for the functions of these chemokines. Our structural and biophysical analyses of human CCL5 reveal that CCL5 olig...

An explosive ordnance is a munition that is either launched or fired with the intent of detonation at a specified target. An unexploded ordnance (UXO) is an explosive ordnance that, due to some malfunction, remains undetonated. As a result, the ordnance can be found at the ground surface, partially buried, or buried at a depth of up to 8 m beneath the surface. Practical and cost-effective strat...

Coiled-coil sequences in proteins consist of heptad repeats containing two characteristic hydrophobic positions. The role of these buried hydrophobic residues in determining the structures of coiled coils was investigated by studying mutants of the GCN4 leucine zipper. When sets of buried residues were altered, two-, three-, and four-helix structures were formed. The x-ray crystal structure of ...

Coiled-coil sequences in proteins consist of heptad repeats containing two characteristic hydrophobic positions. The role of these buried hydrophobic residues in determining the structures of coiled coils was investigated by studying mutants of the GCN4 leucine zipper. When sets of buried residues were altered, two-, three-, and four-helix structures were formed. The x-ray crystal structure of ...