Combined QM/MM Study of Thyroid and Steroid Hormone Analogue Interactions with 𝛼v𝛽3 Integrin

Figure 3

Crystal structure of αvβ3 integrin (yellow/violet) with RGD cyclic peptide (cyan) (1I5g.pdb) with T₄Ac (red) and estradiol (E2, yellow) modeled into the RGD binding pocket. Residues Asp150 and Asp218 in the αv domain and Tyr122 and Asn215 in the β3 domain are labeled for orientation. Figure drawn with PyMol.