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. 2012 Oct 4;7(10):e46078. doi: 10.1371/journal.pone.0046078

Figure 5. Analysis of two 3D models of BPA in human ERα. A.

Figure 5

3D model of BPA in orientation 1 in human ERα. The first phenolic ring on BPA contacts Glu-353, Arg-394 and Phe-404 on ERα, but does not contact either Leu-387 or Leu-391. Moreover, the second phenolic ring does not contact either Gly-521, His-524 or Leu-525. Instead, the second phenolic ring contacts Phe-404, Met-421 and Ile-424. B. 3D model of BPA in orientation 2 in human ERα. The first phenolic ring on BPA contacts Glu-353 and Arg-394 on ERα, but does not contact Leu-387 or Phe-404. The second phenolic ring does not contact either Gly-521 or His-524. Instead, the second phenolic ring has novel contacts with Thr-347 and Leu-384.