Structural modeling and molecular dynamics simulation of the actin filament
Actin is a major structural protein of the eukaryotic cytoskeleton and enables cell motility. Here, we present a model of the actin filament (F-actin) that not only incorporates the global structure of the recently published model by Oda et al. but also conserves internal stereochemistry. A comparis...
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| Main Authors: | , , , |
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| Format: | Article (Journal) |
| Language: | English |
| Published: |
01 March 2011
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| In: |
Proteins
Year: 2011, Volume: 79, Issue: 7, Pages: 2033-2043 |
| ISSN: | 1097-0134 |
| DOI: | 10.1002/prot.23017 |
| Online Access: | Verlag, lizenzpflichtig, Volltext: https://doi.org/10.1002/prot.23017 Verlag, lizenzpflichtig, Volltext: https://onlinelibrary.wiley.com/doi/abs/10.1002/prot.23017 
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| Author Notes: | Thomas Splettstoesser, Kenneth C. Holmes, Frank Noé, and Jeremy C. Smith |
| Summary: | Actin is a major structural protein of the eukaryotic cytoskeleton and enables cell motility. Here, we present a model of the actin filament (F-actin) that not only incorporates the global structure of the recently published model by Oda et al. but also conserves internal stereochemistry. A comparison is made using molecular dynamics simulation of the model with other recent F-actin models. A number of structural determents such as the protomer propeller angle, the number of hydrogen bonds, and the structural variation among the protomers are analyzed. The MD comparison is found to reflect the evolution in quality of actin models over the last 6 years. In addition, simulations of the model are carried out in states with both ADP or ATP bound and local hydrogen-bonding differences characterized. Proteins 2011; © 2011 Wiley-Liss, Inc. |
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| Item Description: | Gesehen am 20.10.2022 |
| Physical Description: | Online Resource |
| ISSN: | 1097-0134 |
| DOI: | 10.1002/prot.23017 |