A Proposal for a Consolidated Structural Model of the CagY Protein of Helicobacter pylori.

ABSTRACT: CagY is the largest and most complex protein from Helicobacter pylori's (Hp) type IV secretion system (T4SS), playing a critical role in the modulation of gastric inflammation and risk for gastric cancer. CagY spans from the inner to the outer membrane, forming a channel through which Hp molecules are injected into human gastric cells. Yet, a tridimensional structure has been reported for only short segments of the protein. This intricate protein was modeled using different approaches, including homology modeling, ab initio, and deep learning techniques. The challengingly long middle repeat region (MRR) was modeled using deep learning and optimized using equilibrium molecular dynamics. The previously modeled segments were assembled into a 1595 aa chain and a 14-chain CagY multimer s

SUBMITTER: Lopez-Luis MA 

PROVIDER: S-EPMC10706595 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature