Figure 4 | Scientific Reports

Figure 4

From: The computational analyses, molecular dynamics of fatty-acid transport mechanism to the CD36 receptor

Figure 4

Structure of the studied CD36 with their respective tunnels. (a) PLM-bound snapshot, with the crystal structure of the wild-type CD36 (CD36-CIDRα, PDB-ID: 5LGD) depicting fully formed tunnel (identified using CAVER 3.0 PyMOL plugin). The main tunnel is shown by the blue and green surface. (b) CHEXVIS was used to analyze snapshots from 50 and 100 ns molecular dynamics simulation for six simulations for wild and mutant type of CD36 in presence and absence of PLM. (c) The transport channel of the fatty acid in the apo and holo conformations were identified based on the PCA analysis using CHEXVIS for CD36 WT, CD36WT–PLM and CD36MT–PLM.

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