Device, method and program for predicting mutant capable of thermally stabilizing membrane protein
A thermal stabilization and prediction device technology, applied in the direction of proteomics, peptide preparation methods, chemical instruments and methods, etc., can solve problems such as difficult mass production, low thermal stability, and difficult crystallization, and achieve structural realization optimized effect
Active Publication Date: 2017-02-15
JAPAN SCI & TECH CORP
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Problems solved by technology
As mentioned above, the (2) problem of difficult crystallization of GPCRs can be overcome by using T4L fusion or antibodies. However, (1) the problem of low thermal stability and difficulty in mass production has not been fully resolved, and more than 90% of GPCRs are still not mass produced
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[0244] In addition, refer to figure 1 ,as well as Figure 33 to Figure 47 An example of the thermally stabilized mutant prediction device 100 of the present embodiment will be described. Figure 33 It is a flowchart showing an example of processing performed by the thermally stabilized mutant prediction device 100.
[0245] Such as Figure 33 As shown, first, the mutation introduction unit 102a introduces an amino acid mutation into the amino acid sequence of the membrane protein wild-type Wt stored in the sequence file 106b to generate the amino acid sequence of the mutant Mt (step SB-1). For example, the mutation introduction unit 102a may generate a mutant Mt into which amino acid mutations such as deletion of one amino acid, substitution of one amino acid, and addition of one amino acid have been introduced.
[0246] Thereafter, the calculation unit 102b calculates the solvation entropy change from primary structure formation to tertiary structure formation at the membrane penet...
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According to the present invention, the three-dimensional structure of a single residue mutant of a membrane protein, in which each amino acid residue is substituted by every amino acid residue, is predicted, then the change in solvation entropy occurring from the formation of a primary structure through the formation of a tertiary structure or from the formation of a secondary structure through the formation of the tertiary structure in a transmembrane site is calculated, and then a candidate for an amino acid mutant capable of thermally stabilizing is extracted on the basis of the difference between the change in solvation entropy in the membrane protein and the change in solvation entropy in the amino acid mutant.
Description
Technical field [0001] The present invention relates to a heat-stabilized mutant prediction device of membrane protein, a heat-stabilized mutant prediction method, and a program. Background technique [0002] Membrane proteins account for 30% of all proteins encoded by the genome, and play an important role in cell functions such as signal transmission, material transport, and biological energy production and conversion. In addition, at the same time, since about 60% of commercially available drugs act on membrane proteins, they are also important targets when creating new drugs. In particular, G protein-coupled receptors (GPCRs), which are receptors such as hormones and neurotransmitters, form about 800 family members, and about 280 are estimated to be targets for the creation of new drugs. [0003] In recent years, it has been discovered that in order to design and improve drugs with few side effects and high effects, medical molecular design (SBDD) based on the three-dimensiona...
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IPC IPC(8): G06F19/16C07K1/107C12M1/00C12M1/34G16B20/50G16B15/20G16B20/00
CPCC07K1/107C12M1/00C12M1/34G16B20/00G16B15/00G16B15/20G16B20/50
Inventor 村田武士木下正弘安田贤司高椋勇树水谷健二铃木七绪梶原佑太
Owner JAPAN SCI & TECH CORP