Calcium binding and allosteric signaling mechanisms for the sarcoplasmic reticulum Ca 2+ ATPase
dc.contributor.author | Kekenes‐huskey, Peter M. | en_US |
dc.contributor.author | Metzger, Vincent T. | en_US |
dc.contributor.author | Grant, Barry J. | en_US |
dc.contributor.author | Andrew McCammon, J. | en_US |
dc.date.accessioned | 2012-10-02T17:20:19Z | |
dc.date.available | 2013-11-04T19:53:16Z | en_US |
dc.date.issued | 2012-10 | en_US |
dc.identifier.citation | Kekenes‐huskey, Peter M. ; Metzger, Vincent T.; Grant, Barry J.; Andrew McCammon, J. (2012). "Calcium binding and allosteric signaling mechanisms for the sarcoplasmic reticulum Ca 2+ ATPase ." Protein Science 21(10): 1429-1443. <http://hdl.handle.net/2027.42/93731> | en_US |
dc.identifier.issn | 0961-8368 | en_US |
dc.identifier.issn | 1469-896X | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/93731 | |
dc.description.abstract | The sarcoplasmic reticulum Ca 2+ ATPase (SERCA) is a membrane‐bound pump that utilizes ATP to drive calcium ions from the myocyte cytosol against the higher calcium concentration in the sarcoplasmic reticulum. Conformational transitions associated with Ca 2+ ‐binding are important to its catalytic function. We have identified collective motions that partition SERCA crystallographic structures into multiple catalytically‐distinct states using principal component analysis. Using Brownian dynamics simulations, we demonstrate the important contribution of surface‐exposed, polar residues in the diffusional encounter of Ca 2+ . Molecular dynamics simulations indicate the role of Glu309 gating in binding Ca 2+ , as well as subsequent changes in the dynamics of SERCA's cytosolic domains. Together these data provide structural and dynamical insights into a multistep process involving Ca 2+ binding and catalytic transitions. | en_US |
dc.publisher | Wiley Subscription Services, Inc., A Wiley Company | en_US |
dc.subject.other | Molecular Dynamics | en_US |
dc.subject.other | Gating | en_US |
dc.subject.other | Calcium Binding | en_US |
dc.subject.other | SERCA | en_US |
dc.subject.other | Brownian Dynamics | en_US |
dc.title | Calcium binding and allosteric signaling mechanisms for the sarcoplasmic reticulum Ca 2+ ATPase | en_US |
dc.type | Article | en_US |
dc.rights.robots | IndexNoFollow | en_US |
dc.subject.hlbsecondlevel | Biological Chemistry | en_US |
dc.subject.hlbtoplevel | Health Sciences | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | Department of Computational Medicine and Bioinformatics, University of Michigan, Ann Arbor, Michigan 48109 | en_US |
dc.contributor.affiliationother | Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093 | en_US |
dc.contributor.affiliationother | University of California, San Diego, 9500 Gilman Dr., M/C 0365, La Jolla, CA 92093‐0365 | en_US |
dc.contributor.affiliationother | Department of Pharmacology, University of California, San Diego, La Jolla, California 92093 | en_US |
dc.identifier.pmid | 22821874 | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/93731/1/2129_ftp.pdf | |
dc.identifier.doi | 10.1002/pro.2129 | en_US |
dc.identifier.source | Protein Science | en_US |
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dc.owningcollname | Interdisciplinary and Peer-Reviewed |
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