Supplementary Material for the manuscript entitled \"Proteomics Analysis Identifies the Ribosome Associated Coiled-Coil Domain-Containing Protein-124 as a Novel Interaction Partner of Nucleophosmin-1\"
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Suppl. Figure MD_3. Molecular Dynamics (MD) Simulation Metrics for Ccdc124-Npm1 Protein Interactions. (A) Root Mean Square Deviation (RMSD) and Radius of Gyration (Rg) profiles over 100ns of MD simulations showcasing Ccdc124 pentamers derived from both wt and mutA heterodecamer configurations. (B) RMSD and Rg trajectories over 100ns of MD simulations for Npm1 pentamers originating from both wt and mutA heterodecamer models. (C) Energy trends throughout the 100ns simulation. The energy dynamics for both Ccdc124 and Npm1 from the wt and mutA heterodecamer formations are delineated, underscoring the energy oscillations. Notably, lower values in this context indicate a conformation of enhanced stability. Suppl. Data 3. Interaction map for the Ccdc124-Npm1(wt) heterodecameric structure details residue-specific interaction types, including hydrogen bonds, salt bridges, Pi stacking, disulfides, and van der Waals interactions. The map also provides information on surface compatibility and buried solvent-accessible surface area (SASA) for interacting residue pairs. Suppl. Data 4. Interaction map for the Ccdc124-Npm1(mutA) heterodecameric structure details residue-specific interaction types, including hydrogen bonds, salt bridges, Pi stacking, disulfides, and van der Waals interactions. The map also provides information on surface compatibility and buried SASA for interacting residue pairs. Suppl. Video S1. Molecular docking structure of the monomeric Ccdc124-Npm1(wt) interaction, with an in-depth depiction of potential interaction interfaces and residues. Ccdc124 is illustrated by red ribbons, Npm1(wt) by orange ribbons, while blue and pink surfaces represent electropositive and electronegative regions, respectively. Suppl. Video S2. Superimposed heterodecameric structure depicting the Ccdc124-Npm1(wt) interaction. Ccdc124 is represented by red ribbons, Npm1(wt) by orange ribbons. Electropositive and electronegative regions are shown in blue and pink surfaces, respectively. Suppl. Video S3. Molecular Dynamics simulation of Ccdc124-Npm1(wt) heterodecamer structure. Ccdc124 is depicted in red ribbons and Npm1(mutA) in orange ribbons. Suppl. Video S4. Molecular docking structure of the monomeric Ccdc124-Npm1(mutA) interaction, with an in-depth depiction of potential interaction interfaces and residues. Ccdc124 is illustrated by red ribbons, Npm1(mutA) by orange ribbons, while blue and pink surfaces represent electropositive and electronegative regions, respectively. Suppl. Video S5. Superimposed heterodecameric structure depicting the Ccdc124-Npm1(mutA) interaction. Ccdc124 is represented by red ribbons, Npm1(mutA) by orange ribbons. Electropositive and electronegative regions are shown in blue and pink surfaces, respectively. Suppl. Video S6. Molecular Dynamics simulation of Ccdc124-Npm1(mutA) heterodecamer structure. Ccdc124 is depicted in red ribbons and Npm1(mutA) in orange ribbons.
创建时间:
2023-11-08



