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Nucleotide-dependent conformational changes in HisP: molecular dynamics simulations of an ABC transporter nucleotide-binding domain.

Abstract:

ATP-binding cassette (ABC) transporters mediate the movement of molecules across cell membranes in both prokaryotes and eukaryotes. In ABC transporters, solute translocation occurs after ATP is either bound or hydrolyzed at the intracellular nucleotide-binding domains (NBDs). Molecular dynamics (MD) simulations have been employed to study the interactions of nucleotide with NBD. The results of extended (approximately 20 ns) MD simulations of HisP (total simulation time approximately 80 ns), t...

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Publication status:
Published

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Publisher copy:
10.1529/biophysj.104.046870

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Institution:
University of Oxford
Division:
MSD
Department:
Physiology Anatomy & Genetics
Role:
Author
Journal:
Biophysical journal
Volume:
87
Issue:
6
Pages:
3703-3715
Publication date:
2004-12-01
DOI:
EISSN:
1542-0086
ISSN:
0006-3495
Source identifiers:
100841

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