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2 results for “FtsW”
Molecular models of the FtsQ-FtsL-FtsB-FtsW-FtsI complex (FtsQLBWI) in mono- and diprotomeric configurations
<p>The data consists of five Protein Data Bank (PDB) structure files of the complex formed by FtsQ, FtsL, FtsB, FtsW, and FtsI of the divisome of Escherichia coli (FtsQLBWI). The five PDB files consist of an original AlphaFold2 model, partially validated through mutagenesis in vivo, and a series of derivatives remodeled seeking insight into the potential structural transitions that lead to activation of the FtsWI complex, which produced peptidoglycan during cell division. In the original model (file <strong>FtsQLBWI_protomer_original.pdb</strong>), FtsLB serves as a support for FtsI, placing its periplasmic domain in an extended and possibly active conformation. We remodeled the periplasmic domain of FtsI to assess it the model is compatible with a compact and possibly inactive conformation (file <strong>FtsQLBWI_protomer_compact.pdb</strong>). Additionally, the complex was remodeled to assume an Fts[QLBWI]<sub>2</sub> diprotomeric configuration, using FtsLB as a central hub (file <strong>FtsQLBWI_diprotomer_clashing.pdb</strong>). This was performed by applying the C2 symmetry operation (180° rotation) to the Fts[QLBWI]<sub>1</sub> complex that reconstructs the Fts[LB]<sub>2</sub> complex in the Y-model configuration from the Fts[LB]<sub>1</sub> AlphaFold2 prediction. In this model, a severe steric overlap occurs between FtsQ and FtsI, which occupy the same region of space adjacent to FtsLB. To address whether this clash could be solved by providing flexibility to a hinge in the CCD region of FtsLB, we used a procedure, based on docking of FtsQ with HADDOCK followed by loop reconstruction with Rosetta (file <strong>FtsQLBWI_diprotomer_extended.pdb</strong>). Finally, we reconfigured the initial diprotomeric model in a compact state (file <strong>FtsQLBWI_diprotomer_compact.pdb</strong>).</p>
Molecular models of the FtsQ-FtsL-FtsB-FtsW-FtsI complex (FtsQLBWI) in mono- and diprotomeric configurations
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