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Extending the structure of an ABC transporter to atomic resolution: modeling and simulation studies of MsbA.

Abstract:

Molecular modeling and simulation approaches have been use to generate a complete model of the prokaryotic ABC transporter MsbA from Escherichia coli, starting from the low-resolution structure-based Calpha trace (PDB code 1JSQ). MsbA is of some biomedical interest as it is homologous to mammalian transporters such as P-glycoprotein and TAP. The quality of the MsbA model is assessed using a combination of molecular dynamics simulations and static structural analysis. These results suggest tha...

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Publication status:
Published

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Publisher copy:
10.1021/bi027337t

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Institution:
University of Oxford
Division:
MSD
Department:
Biochemistry
Role:
Author
Journal:
Biochemistry
Volume:
42
Issue:
13
Pages:
3666-3673
Publication date:
2003-04-01
DOI:
EISSN:
1520-4995
ISSN:
0006-2960

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