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. 2006 Feb 20;45(4):1409-11.
doi: 10.1021/ic050995s.

Geometric preferences in iron(II) and zinc(II) model complexes of peptide deformylase

Vivek V Karambelkar  1 , Chuanyun Xiao, Yingkai Zhang, Amy A Narducci Sarjeant, David P Goldberg
Affiliations

Geometric preferences in iron(II) and zinc(II) model complexes of peptide deformylase

Vivek V Karambelkar et al. Inorg Chem. .

Abstract

A combination of experimental and theoretical studies on (N,S(thiolate))M(II)-formate complexes (M = Fe, Zn) suggests a rationale for the metal ion dependence of peptide deformylase.

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Figures

Figure 1
Figure 1
ORTEP plot of (Py2S)FeII(O2CH) with 40% probability thermal ellipsoids.
Figure 2
Figure 2
Geometry optimized structure of (PATH)FeII(O2CH) from B3LYP/6-311G* calculations.
Figure 3
Figure 3
Potential energy surface of (PATH)M2+(O2CH) along the M-O(2) bond from B3LYP/6-311G* calculations. For each point, geometry optimization has been carried out with the M-O(2) bond length fixed.
Scheme 1
Scheme 1
Scheme 2
Scheme 2
See this image and copyright information in PMC

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