Computational Analysis of 1XTC and Mutant 1XTC (D229E)

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dc.contributorCraft, John W., Jr.
dc.contributor.authorCruz, Ashley
dc.contributor.authorMatta, Karim
dc.date.accessioned2021-02-24T22:35:50Z
dc.date.available2021-02-24T22:35:50Z
dc.date.issued2020-09-29
dc.description.abstractThis research is an investigation on the AB5 macromolecule secreted by Vibrio cholerae known as the cholera toxin (CT). We aim to document the effects of a mutation made on a key location on 1XTC crystal structure of cholera. Using several software, we created a D229E mutation in the 1XTC structure and recorded data on intermolecular interactions after equilibrating and simulating for 10 nanoseconds. The D229E mutation shows an increase in free energies along the A2 tail and instability in its structure by its decrease in hydrogen bonding and greater repulsive forces along the A2 tail. The same methods used in collecting data for 1XTC were used for two other forms of the AB5. One being the heat-labile enterotoxin, 1LTS which is a non-lethal AB5 toxin known to be secreted from E. coli, and the second being the elongated CT A2 tail structure, 1S5E.
dc.description.departmentBiology and Biochemistry, Department of
dc.description.departmentHonors College
dc.identifier.urihttps://hdl.handle.net/10657/7577
dc.language.isoen_US
dc.rightsThe author of this work is the copyright owner. UH Libraries and the Texas Digital Library have their permission to store and provide access to this work. Further transmission, reproduction, or presentation of this work is prohibited except with permission of the author(s).
dc.titleComputational Analysis of 1XTC and Mutant 1XTC (D229E)
dc.typePoster

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