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. Author manuscript; available in PMC: 2008 Aug 30.
Published in final edited form as: J Am Chem Soc. 2007 Apr 7;129(17):5419–5429. doi: 10.1021/ja066950n

Figure 5.

Figure 5

Comparison of bond lengths (Å) and charges (NPA) of isolated bicylic urea unit of biotin (8), the urea group when bound in the (strept)avidin model binding sites (9), and the conjugate base (10). Structures were optimized by B3LYP/6-31+G(d,p).