ENCoM server: exploring protein conformational space and the effect of mutations on protein function and stability

被引:125
|
作者
Frappier, Vincent [1 ]
Chartier, Matthieu [1 ]
Najmanovich, Rafael J. [1 ]
机构
[1] Univ Sherbrooke, Fac Med & Hlth Sci, Dept Biochem, Sherbrooke, PQ J1H 5N4, Canada
基金
加拿大自然科学与工程研究理事会;
关键词
NORMAL-MODE ANALYSIS; FLUCTUATION DYNAMICS; WEB SERVER; FORCE; POTENTIALS; SIMULATION; SELECTION; NETWORKS; MOTIONS; DESIGN;
D O I
10.1093/nar/gkv343
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
ENCoM is a coarse-grained normal mode analysis method recently introduced that unlike previous such methods is unique in that it accounts for the nature of amino acids. The inclusion of this layer of information was shown to improve conformational space sampling and apply for the first time a coarse-grained normal mode analysis method to predict the effect of single point mutations on protein dynamics and thermostability resulting from vibrational entropy changes. Here we present a web server that allows non-technical users to have access to ENCoM calculations to predict the effect of mutations on thermostability and dynamics as well as to generate geometrically realistic conformational ensembles. The server is accessible at: http://bcb.med.usherbrooke.ca/encom.
引用
收藏
页码:W395 / W400
页数:6
相关论文
共 50 条
  • [41] Biophysical Inference of Epistasis and he Effects of Mutations on Protein Stability and Function
    Otwinowski, Jakub
    MOLECULAR BIOLOGY AND EVOLUTION, 2018, 35 (10) : 2345 - 2354
  • [42] Using AlphaFold to predict the impact of single mutations on protein stability and function
    Pak, Marina A.
    Markhieva, Karina A.
    Novikova, Mariia S.
    Petrov, Dmitry S.
    Vorobyev, Ilya S.
    Maksimova, Ekaterina S.
    Kondrashov, Fyodor A.
    Ivankov, Dmitry N.
    PLOS ONE, 2023, 18 (03):
  • [43] Effect of mutations on the folding and stability of γD-crystallin protein
    Ghosh, Deepshikha
    Sojitra, Kandarp Ashokbhai
    Biswas, Anushka
    Agarwal, Manish
    Radhakrishna, Mithun
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023,
  • [44] Predicting the Effect of Single and Multiple Mutations on Protein Structural Stability
    Dehghanpoor, Ramin
    Ricks, Evan
    Hursh, Katie
    Gunderson, Sarah
    Farhoodi, Roshanak
    Haspel, Nurit
    Hutchinson, Brian
    Jagodzinski, Filip
    MOLECULES, 2018, 23 (02):
  • [45] Mutations that alter the function of the protein
    Gjersvik, Petter
    TIDSSKRIFT FOR DEN NORSKE LAEGEFORENING, 2021, 141 (12) : 1214 - 1215
  • [46] Effect of polyols on the conformational stability and biological activity of a model protein lysozyme
    Somnath Singh
    Jagdish Singh
    AAPS PharmSciTech, 4 (3)
  • [47] Probing the effect of mutations on the conformational landscape of DNA mismatch repair protein MutS
    Johnson, Caitlin V.
    Erie, Dorothy A.
    BIOPHYSICAL JOURNAL, 2022, 121 (03) : 60 - 60
  • [48] Conformational selection in protein binding and function
    Weikl, Thomas R.
    Paul, Fabian
    PROTEIN SCIENCE, 2014, 23 (11) : 1508 - 1518
  • [49] Partition Function of the Protein Conformational State
    Zhao, Qinyi
    JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2012, 9 (05) : 745 - 751
  • [50] Rigidity optimized conformational kinetics to explore protein conformational space
    Lei, M
    Thorpe, MF
    Kuhn, LA
    Zavodszky, ML
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 225 : U790 - U790