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. 2014 Sep 12;141(1):188–197. doi: 10.1093/toxsci/kfu114

FIG. 5.

FIG. 5.

APF fields, used in chemical field-based methods, superimposed with 17β-estradiol co-crystalized with ERα (PDB ID: 1GWR) (A), dobutamine interacting with ERα as identified with chemical field-based methods (B), and 17β-estradiol and dobutamine superimposed in the binding site of ERα (C and F). 17β-estradiol displayed hydrogen bonds to polar residues in the LDB of ERα; specifically Glu353, Arg394, and His524 (D), whereas dobutamine only formed hydrogen bonds to Glu353 and Arg394 (E).