Atmospheric nitric oxide, a principal component in the production of tropospheric ozone, results from the combustion of hydrocarbons. A bioinformatics approach has been used to categorize the catalytic binding motifs for activation of nitric oxide. Sequence and structural alignment of protein crystal structures in the literature were used to produce conserved binding patterns and critical amino acid residues. Nitric oxide is bound to conserved metal centers for all structures investigated. The complexed structures, pK<sub>a</sub>, hydropathies, and binding enthalpies were determined for the conserved residues. The binding enthalpy of the nitric oxide metal complexes and common biological molecules were computed using several density functionals including PBE0, B3LYP, B-97, M06, and M06-2X. ​

Enzymatic activation of nitric oxide

249th National Meeting (2015)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.