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  Utility of B-Factors in Protein Science: Interpreting Rigidity, Flexibility, and Internal Motion and Engineering Thermostability

Sun, Z., Liu, Q., Qu, G., Feng, Y., & Reetz, M. T. (2019). Utility of B-Factors in Protein Science: Interpreting Rigidity, Flexibility, and Internal Motion and Engineering Thermostability. Chemical Reviews, 119(3), 1626-1665. doi:10.1021/acs.chemrev.8b00290.

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 Creators:
Sun, Zhoutong1, Author
Liu, Qian2, Author
Qu, Ge1, Author
Feng, Yan2, Author
Reetz, Manfred T.1, 3, 4, Author           
Affiliations:
1Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences, 32 West Seventh Avenue, Tianjin Airport Economic Area, Tianjin 300308, China, ou_persistent22              
2State Key Laboratory of Microbial Metabolism, School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai 200240, China, ou_persistent22              
3Research Department Reetz, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445588              
4Chemistry Department, Philipps-University, Hans-Meerwein-Strasse 4, 35032 Marburg, Germany, ou_persistent22              

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 Abstract: The term B-factor, sometimes called the Debye–Waller factor, temperature factor, or atomic displacement parameter, is used in protein crystallography to describe the attenuation of X-ray or neutron scattering caused by thermal motion. This review begins with analyses of early protein studies which suggested that B-factors, available from the Protein Data Bank, can be used to identify the flexibility of atoms, side chains, or even whole regions. This requires a technique for obtaining normalized B-factors. Since then the exploitation of B-factors has been extensively elaborated and applied in a variety of studies with quite different goals, all having in common the identification and interpretation of rigidity, flexibility, and/or internal motion which are crucial in enzymes and in proteins in general. Importantly, this review includes a discussion of limitations and possible pitfalls when using B-factors. A second research area, which likewise exploits B-factors, is also reviewed, namely, the development of the so-called B-FIT-directed evolution method for increasing the thermostability of enzymes as catalysts in organic chemistry and biotechnology. In both research areas, a maximum of structural and mechanistic insights is gained when B-factor analyses are combined with other experimental and computational techniques.

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Language(s): eng - English
 Dates: 2018-05-052019-01-302019-02-13
 Publication Status: Issued
 Pages: 40
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1021/acs.chemrev.8b00290
 Degree: -

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Title: Chemical Reviews
  Other : Chem. Rev.
Source Genre: Journal
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Publ. Info: Washington, DC. : American Chemical Society
Pages: - Volume / Issue: 119 (3) Sequence Number: - Start / End Page: 1626 - 1665 Identifier: ISSN: 0009-2665
CoNE: https://pure.mpg.de/cone/journals/resource/954925389243