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Journal of Genetic Engineering and Biotechnology
Fig. 8 | Journal of Genetic Engineering and Biotechnology

Fig. 8

From: A computational simulation appraisal of banana lectin as a potential anti-SARS-CoV-2 candidate by targeting the receptor-binding domain

Fig. 8

The diagrammatic representation in 3D and 2D configurations of the complex interface. a Wild-type RBD-Mba09 H115T complex (Chain A: RBD; Chain B: BanLec), b Delta RBD-Ma09 H84T complex (Chain A: RBD; Chain B: BanLec), c Delta plus RBD-Mba09 WT complex (Chain A: RBD; Chain B: BanLec), and d Omicron RBD-Ma09 WT complex (Chain A: BanLec; Chain B: RBD). In the PDBsum graphics (shown on the right), hydrogen bonds are indicated by blue straight lines, non-bonded contacts are represented by orange dashed lines, and salt bridges are denoted by red straight lines. In the LigPlot graphics (shown below the 3D graph), the representation of the ligands and protein side chains is depicted in a ball-and-stick format. The ligand bonds are shown in purple, while hydrogen bonds are depicted as green dotted lines with their length printed in the middle. Spoked arcs indicate protein residues that have non-bonded contacts with the ligand. Additionally, red circles and ellipses highlight protein residues that occupy similar positions in 3D when the two structural models are aligned

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