| Literature DB >> 20192256 |
M-C van Severen1, J-P Piquemal, O Parisel.
Abstract
Quantum chemistry computations have been used to investigate the possibility of a Pb(2+)/Ca(2+) substitution in the three calcium sites of the synaptotagmin enzyme. Provided explicit cation solvation is taken into account, it is shown that the substitution is energetically feasible and induces a strong reorganization of the Ca(2+)-coordinating sites, which may preclude the enzyme for any efficient role when lead poisoning occurs.Entities:
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Year: 2010 PMID： 20192256 DOI： 10.1021/jp910131r
Source DB: PubMed Journal: J Phys Chem B ISSN： 1520-5207 Impact factor: 2.991