Atomic structure of the highest molecular orbitals of small tetra-heme cytochrome c 1M1Pстатья
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Дата последнего поиска статьи во внешних источниках: 26 января 2017 г.
Аннотация:The atomic structure of the highest molecular orbitals (MO) of small tetra-heme cytochrome (STC) with 1M1P is studied in large non-empirical calculations performed by the Hartree—Fock method with taking into account all electrons. It is shown that the highest MOs of STC are mainly formed by atomic orbitals of negatively charged amino acid atoms. The corre-sponding amino acids and their numbers are determined. The conclusion is drawn that these amino acids can be considered as possible active centers in the electron transfer reaction from STC to the external electron acceptor.