Four Major Channels Detected in the Cytochrome P450 3A4: A Step toward Understanding Its Multispecificity.
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ABSTRACT:
SUBMITTER: Benkaidali L
PROVIDER: S-EPMC6412807 | biostudies-literature | 2019 Feb
REPOSITORIES: biostudies-literature
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Four Major Channels Detected in the Cytochrome P450 3A4: A Step toward Understanding Its Multispecificity.
Benkaidali Lydia L André François F Moroy Gautier G Tangour Bahoueddine B Maurel François F Petitjean Michel M
International journal of molecular sciences 20190225 4
We computed the network of channels of the 3A4 isoform of the cytochrome P450 (CYP) on the basis of 16 crystal structures extracted from the Protein Data Bank (PDB). The calculations were performed with version 2 of the CCCPP software that we developed for this research project. We identified the minimal cost paths (MCPs) output by CCCPP as probable ways to access to the buried active site. The algorithm of calculation of the MCPs is presented in this paper, with its original method of visualiza ...[more]
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