Journal
FEBS LETTERS
Volume 579, Issue 19, Pages 4193-4199Publisher
WILEY
DOI: 10.1016/j.febslet.2005.06.027
Keywords
ABC transporter; MJ0796 protein; molecular dynamics simulation; nucleotide binding domain
Funding
- Biotechnology and Biological Sciences Research Council [B19456, BEP17032, BBS/B/16011] Funding Source: researchfish
- Biotechnology and Biological Sciences Research Council [BEP17032, B19456, BBS/B/16011] Funding Source: Medline
- Wellcome Trust Funding Source: Medline
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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.
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