Sphericity of a protein via the beta-complex
- Authors
- Kim, Deok-Soo; Kim, Jae-Kwan; Won, Chung-In; Kim, Chong-Min; Park, Joon Young; Bhak, Jong
- Issue Date
- Apr-2010
- Publisher
- ELSEVIER SCIENCE INC
- Keywords
- Protein structure; Sphericity; Voronoi diagram; beta-complex; beta-shape; PDB
- Citation
- JOURNAL OF MOLECULAR GRAPHICS & MODELLING, v.28, no.7, pp.636 - 649
- Indexed
- SCIE
SCOPUS
- Journal Title
- JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Volume
- 28
- Number
- 7
- Start Page
- 636
- End Page
- 649
- URI
- https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/175174
- DOI
- 10.1016/j.jmgm.2010.01.001
- ISSN
- 1093-3263
- Abstract
- Molecular shape is a fundamental factor in determining the function of a molecule. As proteins tend to fold into globular shapes, the shape descriptor for protein sphericity is important in understanding molecular functions. In this paper, a definition of protein sphericity is introduced based on the recently developed geometric constructs of the beta-complex and beta-shape of a protein. The beta-complex represents the Euclidean proximity among all the atoms in a protein, and the beta-shape is the polyhedron contained within the boundary of the corresponding beta-complex. Hence, the beta-shape determines the proximity among the atoms on the boundary of a protein. Given the volume of a beta-shape, the ratio between the surface area of a sphere with this volume and the surface area of the beta-shape itself is a good measure to classify the sphericity of a protein, especially when the radius of a probe is 3.0 angstrom. The presented measure is invariant to translation and rotation.
- Files in This Item
-
Go to Link
- Appears in
Collections - 서울 공과대학 > 서울 기계공학부 > 1. Journal Articles
![qrcode](https://api.qrserver.com/v1/create-qr-code/?size=55x55&data=https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/175174)
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.