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Atomic model construction of protein complexes from electron micrographs and visualization of their 3D structure using a virtual reality system

Published online by Cambridge University Press:  20 December 2006

KAZUHIRO NODA
Affiliation:
Department of Bioscience and Bioinformatics, Faculty of Computer Science and Systems Engineering, Kyushu Institute of Technology, 680-4 Ooaza-kawazu, Iizuka, Fukuoka, Japan
MIHO NAKAMURA
Affiliation:
Department of Bioscience and Bioinformatics, Faculty of Computer Science and Systems Engineering, Kyushu Institute of Technology, 680-4 Ooaza-kawazu, Iizuka, Fukuoka, Japan
RYOKO NISHIDA
Affiliation:
Department of Bioscience and Bioinformatics, Faculty of Computer Science and Systems Engineering, Kyushu Institute of Technology, 680-4 Ooaza-kawazu, Iizuka, Fukuoka, Japan
YUKARI YONEDA
Affiliation:
Department of Bioscience and Bioinformatics, Faculty of Computer Science and Systems Engineering, Kyushu Institute of Technology, 680-4 Ooaza-kawazu, Iizuka, Fukuoka, Japan
YOKO YAMAGUCHI
Affiliation:
Department of Bioscience and Bioinformatics, Faculty of Computer Science and Systems Engineering, Kyushu Institute of Technology, 680-4 Ooaza-kawazu, Iizuka, Fukuoka, Japan
YUICHI TAMURA
Affiliation:
National Institute for Fusion Science, Oroshi-cho 322-6, Toki, Gifu, Japan
HIROAKI NAKAMURA
Affiliation:
National Institute for Fusion Science, Oroshi-cho 322-6, Toki, Gifu, Japan
TAKUO YASUNAGA
Affiliation:
Department of Bioscience and Bioinformatics, Faculty of Computer Science and Systems Engineering, Kyushu Institute of Technology, 680-4 Ooaza-kawazu, Iizuka, Fukuoka, Japan
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Abstract

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The methods and applications that integrate electron microscopic density maps and comparative atomic coordinates to generate atomic models of protein complexes and their assemblies have recently advanced. Here, we also report on a newly developed tool for integration between density maps at a spatial resolution of about one nanometer and atomic coordinates by introducing the spatial constraints into a molecular dynamics calculation, which we call spatially restricted molecular dynamics. We, successfully, constructed the atomic models well-fitted to the density maps generated from nine different atomic coordinates of proteins. The method will give us the useful, refined, and presumable atomic structure of macromolecules to elucidate the relationship between their structure and functions.

Type
Papers
Copyright
2006 Cambridge University Press