Fig. 4: Druggability analysis and fragment screening of brachyury. | Nature Communications

Fig. 4: Druggability analysis and fragment screening of brachyury.

From: Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy

Fig. 4

a Pocket analysis of brachyury DNA binding domain. Pockets are depicted as solid blobs of red, blue, and yellow with volumes, areas, and predicted druggability scores shown in the inset table. Druggability scores are calculated using ICM-Pro according to the method of Sheridan et al.28. b Fragment screening results for WT brachyury DNA binding domain with hotspot pockets shown in the insets in a surface representation with key residues labeled. c Fragment screening results for G177D brachyury DNA binding domain with hotspot pockets shown in the insets in a surface representation with key residues labeled. d Close-up view of the fragments bound to pocket D with residues involved in disease mutations in other T-box family members labeled.

Back to article page