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

页码：4193 / 4199

页数：7

共 29 条

[1] FORCE-FIELD PARAMETRIZATION BY WEAK-COUPLING - REENGINEERING SPC WATER [J].