Figure 2.
Computational modeling of Abl2 (ABL2) supports the binding of asciminib to the Abl2 myristate pocket in an alternate orientation. (A) An overview of the complete homology model of Abl2 (green) superimposed on Abl (yellow; PDB:1OPK). Red arrows indicate regions of significant structural difference between Abl and Abl2. (B) Abl2 in complex with asciminib. The C-lobe of the Abl2 kinase is highlighted in green with the myristate pocket helixes colored. Helix αI′ (red), αE (yellow), αH (blue), and αF (orange) are shown. Surface representation of Abl2 (C), Abl (D), and the superimposition of Abl and Abl2 (E) myristate pocket in complex with asciminib.

Computational modeling of Abl2 (ABL2) supports the binding of asciminib to the Abl2 myristate pocket in an alternate orientation. (A) An overview of the complete homology model of Abl2 (green) superimposed on Abl (yellow; PDB:1OPK). Red arrows indicate regions of significant structural difference between Abl and Abl2. (B) Abl2 in complex with asciminib. The C-lobe of the Abl2 kinase is highlighted in green with the myristate pocket helixes colored. Helix αI′ (red), αE (yellow), αH (blue), and αF (orange) are shown. Surface representation of Abl2 (C), Abl (D), and the superimposition of Abl and Abl2 (E) myristate pocket in complex with asciminib.

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