Skip to main content
Fig. 8 | BMC Methods

Fig. 8

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. 8

3D solid structure of BTK481C (light blue) covalently bonded to (A) XDYMA (orchid), (B) XDYVL (blue), (C) QDWXL (salmon), (D) zanubrutinib (chartreuse green), (E) acalabrutinib (sky blue), and (F) ibrutinib (dark khaki) via the attached electrophilic warhead and at C481 (brown) showing interacting residues (dark cyan) at the ATP binding pocket. This figure also depicts the 2D protein–ligand interaction frameworks of the complexes. Interaction types are shown

Back to article page

BMC Methods

ISSN: 3004-8729

Contact us