Nucleotide binding to the homodimeric MJ0796 protein: A computational study of a prokaryotic ABC transporter NBD dimer

被引:31
作者
Campbell, JD [1 ]
Sansom, MSP [1 ]
机构
[1] Univ Oxford, Dept Biochem, Oxford OX1 3QU, England
来源
FEBS LETTERS | 2005年 / 579卷 / 19期
基金
英国惠康基金; 英国生物技术与生命科学研究理事会;
关键词
ABC transporter; MJ0796; protein; molecular dynamics simulation; nucleotide binding domain;
D O I
10.1016/j.febslet.2005.06.027
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Transport by ABC proteins requires a cycle of ATP-driven conformational changes of the nucleotide binding domains (NBDs). We compare three molecular dynamics simulations of dimeric MJ0796: with ATP was present at both NBDs; with ATP at one NBD but ADP at the other; and without any bound ATP. In the simulation with ATP present at both NBDs, the dimeric protein interacts with the nucleotides in a symmetrical manner. However, if ADP is present at one binding site then both NBD-NBD and protein-ATP interactions are enhanced at the opposite site. (c) 2005 Published by Elsevier B.V. on behalf of the Federation of European Biochemical Societies.
引用
收藏
页码:4193 / 4199
页数:7
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