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Fig. 7 | BMC Methods

Fig. 7

From: De Novo Rational design of peptide-based covalent inhibitors via mapping of complementary binding site residues – technical protocol and case study on KRASG12C and BTK481C

Fig. 7

3D solid structure of KRASG12C (light gray) covalently bonded to (A) RVKDX (pink), (B) HVKXR (green), (C) XLKDH (orange), (D) sotorasib (magenta), and (E) adagrasib (purple) via the attached electrophilic warhead and at C12 (brown) showing interacting residues (cyan) at the cryptic binding pocket. This figure also depicts the 2D protein–ligand interaction frameworks of the complexes. Interaction types are shown

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BMC Methods

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