2014
DOI: 10.1016/j.cplett.2014.10.038
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Water-mediated forces between the nucleotide binding domains generate the power stroke in an ABC transporter

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Cited by 6 publications
(3 citation statements)
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“…In other words, a strong attractive force is generated between MalK_A and MalK_B. Recently, we have applied the integral‐equation theory of liquids (3 D‐RISM) to analyze the NBD dimerization process in another ABC transporter (chloride ion channel CFTR) from the viewpoint of thermodynamics and revealed that a long‐range hydration force of enthalpic origin drives the 2 NBDs to approach from a large separation and the origin of short range attraction force is hydration entropy . This mechanism seems to be also applicable to maltose transporter because the amino acid sequence and tertiary structures of the NBDs are conserved well within and between bacterial and eukaryotic ABC transporters …”
Section: Discussionmentioning
confidence: 99%
“…In other words, a strong attractive force is generated between MalK_A and MalK_B. Recently, we have applied the integral‐equation theory of liquids (3 D‐RISM) to analyze the NBD dimerization process in another ABC transporter (chloride ion channel CFTR) from the viewpoint of thermodynamics and revealed that a long‐range hydration force of enthalpic origin drives the 2 NBDs to approach from a large separation and the origin of short range attraction force is hydration entropy . This mechanism seems to be also applicable to maltose transporter because the amino acid sequence and tertiary structures of the NBDs are conserved well within and between bacterial and eukaryotic ABC transporters …”
Section: Discussionmentioning
confidence: 99%
“…This is because both thermodynamic and configuration integrals upon solvation can be performed analytically within the RISM framework. Due to these features, 1D- and 3D-RISM have been applied to various chemical reactions in solution, molecular recognition, ion permeation, , and aggregation. , …”
Section: Introductionmentioning
confidence: 99%
“…Due to these features, 1D-and 3D-RISM have been applied to various chemical reactions in solution, 6−11 molecular recognition, 12−14 ion permeation, 12,15 and aggregation. 16,17 To date, intensive efforts have been devoted to improving the accuracy of RISM methods. Palmer et al found that the error in the SFE of 3D-RISM strongly correlates with the partial molar volume (PMV) of solute molecules, 18 and they proposed the universal correction method using the PMV with empirical parameters.…”
Section: Introductionmentioning
confidence: 99%