Multi-targeting of K-Ras domains and mutations by peptide and small molecule inhibitors

doi:10.1371/journal.pcbi.1009962

Multi-targeting of K-Ras domains and mutations by peptide and small molecule inhibitors

Fig 3

Validation of molecular docking method.

(A) Structural alignment of the K-Ras^G12D-peptide complex determined by X-ray crystallography (ID: 5XCO) and the docking model. Close-up view of the binding interface between K-Ras^G12D and inhibitory peptide in the (B) crystallography and (C) docking studies. The residues of K-Ras^G12D forming H-bond interactions with the peptide are shown in yellow.

doi: https://doi.org/10.1371/journal.pcbi.1009962.g003