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Investigation by MD simulation of the key residues related to substrate-binding and heme-release in human ferrochelatase
Molecular dynamics (MD) simulations of three models based on the crystal structure of the E343K variant of human ferrochelatase were performed in this study. The “open” and “closed” conformations of the enzyme...
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Article
Is it possible for Fe2+ to approach protoporphyrin IX from the side of Tyr-13 in Bacillus subtilis ferrochelatase? An answer from QM/MM study
We previously reported the insertion process of the ferrous ion into the protoporphyrin IX from the side of the residue His-183 (J. Inorg. Biochem. 103 (2009) 1680–1686). Sellers et al. suggested that the ferrous...