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Article

Relationship between Ca2+-affinity and shielding of bulk water in the Ca2+-pump from molecular dynamics simulations.

Proceedings of the National Academy of Sciences of the United States of America - 14 Dec 2010

Sugita Yuji, Ikeguchi Mitsunori, Toyoshima Chikashi

Abstract excerpt

The sarcoplasmic reticulum Ca(2+)-ATPase transports two Ca(2+) per ATP hydrolyzed from the cytoplasm to the lumen against a large concentration gradient. During transport, the pump alters the affinity and accessibility for Ca(2+) by rearrangements of transmembrane helices. In this study, all-atom molecular dynamics simulations were performed for wild-type Ca(2+)-ATPase in the Ca(2+)-bound form and the Gln mutants...

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Identifiers

PMID: 21098671
DOI: 10.1073/pnas.1015819107
PMCID: PMC3003049

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