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- Title
Nucleotide binding to the homodimeric MJ0796 protein: A computational study of a prokaryotic ABC transporter NBD dimer
- Authors
Campbell, Jeff D.; Sansom, Mark S.P.
- Abstract
Abstract: 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.
- Subjects
NUCLEOTIDES; NUCLEIC acids; BIOMOLECULES; MOLECULAR dynamics; PROTEINS
- Publication
FEBS Letters, 2005, Vol 579, Issue 19, p4193
- ISSN
0014-5793
- Publication type
Article
- DOI
10.1016/j.febslet.2005.06.027