Citation: Ying Wu Lin, Tian Lei Ying, Li Fu Liao. Dynamic consequences of mutating the typical HPGG motif of apocytochrome b₅ revealed by computer simulation[J]. Chinese Chemical Letters, ;2009, 20(5): 631-634. doi: 10.1016/j.cclet.2009.01.037 shu

Dynamic consequences of mutating the typical HPGG motif of apocytochrome b₅ revealed by computer simulation

a School of Chemistry and Chemical Engineering, University of South China, Hengyang 421001, China;
b Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA;
c Chemical Biology Lab, Department of Chemistry, Fudan University, Shanghai 200433, China

Received Date: 22 September 2008

Fund Project: This work was supported by the initial foundation for Ph.D. introduced into University of South China (No.506XJQ06001). NAMD and VMD were developed by the Theoretical Biophysics Group in the Beckman Institute for Advanced Science and Technology at the University of Illinois at Urbana-Champaign, USA. We also wish to thank Prof. Shun Hirota at Nara Institute of Science and Technology, Japan, for critical review of this paper.

Apocytochrome b₅ with a typical heme-binding motif of HPGG, and its variants with mutated motifs, GPGG, GPGH, HVGG,and HPGP, have been subjected to molecular dynamics simulation. Comparison of the dynamic consequences has revealed the crucial role of HPGG in assembling the heme group of cytochrome b₅ and in modulating protein structure, property and function.
- Apocytochrome b₅,
- Heme-binding motif,
- HPGG,
- Molecular dynamics simulation
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