2017 Student Research Conference:
30th Annual Student Research Conference

Molecular Dynamics Simulations in Support of an Indirect Binding Mechanism for Transducer-Like Protein 1


Silas D. Wood
Dr. Bill R. Miller, Faculty Mentor

Transducer-like protein 1 (Tlp1) is a transmembrane signaling protein that promotes a positive chemotaxis response for aspartate, a possible TCA cycle intermediate. Chemotaxis towards aspartate is important in the infection of hosts by Campylobacter jejuni, a gram-negative, microaerophilic, flagellated bacterium, which is a leading cause of bacterial foodborne gastroenteritis. In addition, C. jejuni is also implicated in several post-infection complications, such as myositis, arthritis, idiopathic peripheral neuropathy, and Guillain-Barre syndrome. Recent crystallographic and calorimetric studies have suggested the sensory domain of Tlp1 is not likely to sense aspartate directly, but rather through a yet to be characterized chemical intermediate. Using computational molecular dynamics techniques, we characterized the dynamics of the Tlp1 sensory domain at biological pH, and attempted to dock aspartate to the sensory domain directly to provide additional supporting evidence for an indirect mechanism of aspartate recognition.

Keywords: Transducer-like protein 1, aspartate, molecular dynamics, Campylobacter jejuni, Guillain-Barre syndrome

Topic(s):Chemistry

Presentation Type: Oral Paper

Session: 203-2
Location: MG 1096
Time: 9:45

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