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Molecular modeling of cytochrome b(5) with a single cytochrome c-like thioether linkage

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成果类型:
期刊论文
作者:
Lin, Ying-Wu*;Wu, Yi-Mou;Liao, Li-Fu;Nie, Chang-Ming
通讯作者:
Lin, Ying-Wu
作者机构:
[Liao, Li-Fu; Nie, Chang-Ming; Lin, Ying-Wu] Univ S China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
[Lin, Ying-Wu] Nanjing Univ, State Key Lab Coordinat Chem, Nanjing 210093, Jiangsu, Peoples R China.
[Wu, Yi-Mou] Univ S China, Inst Pathogen Biol, Hengyang 421001, Peoples R China.
通讯机构:
[Lin, Ying-Wu] U
Univ S China, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
语种:
英文
关键词:
Heme proteins;Covalent bond;Homology modeling;Molecular dynamics simulation;Intermediate
期刊:
Journal of Molecular Modeling
ISSN:
1610-2940
年:
2012
卷:
18
期:
4
页码:
1553-1560
基金类别:
Hunan Provincial Natural Science Foundation of ChinaNatural Science Foundation of Hunan Province [11JJ4017]
机构署名:
本校为第一且通讯机构
院系归属:
化学化工学院
医学院
摘要:
Bovine liver cytochrome b 5 (cyt b 5), with heme bound noncovalently, has been converted into a cyt c-like protein (cyt b 5 N57C) by constructing a thioether linkage between the heme and the engineered cysteine residue. With no X-ray or NMR structure available, we herein performed a molecular modeling study of cyt b 5 N57C. On the other hand, using amino acid sequence information for a newly discovered member of the cyt b 5 family, domestic silkworm cyt b 5 (DS cyt b 5), we predicted the protein structure by homology modeling in combination with MD simulation. The modeling structure sho...

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