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. 2022 Apr 26;18(4):e1009962. doi: 10.1371/journal.pcbi.1009962

Fig 3. Validation of molecular docking method.

Fig 3

(A) Structural alignment of the K-RasG12D-peptide complex determined by X-ray crystallography (ID: 5XCO) and the docking model. Close-up view of the binding interface between K-RasG12D and inhibitory peptide in the (B) crystallography and (C) docking studies. The residues of K-RasG12D forming H-bond interactions with the peptide are shown in yellow.