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

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.
Publication status:
Published

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Journal:
FEBS letters
Volume:
579
Issue:
19
Pages:
4193-4199
Publication date:
2005-08-05
DOI:
EISSN:
1873-3468
ISSN:
0014-5793
URN:
uuid:652f97bc-a9f7-4441-8d63-2ce6acd35672
Source identifiers:
100840
Local pid:
pubs:100840

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