The normalized number of interface contacts per residue is calculated from the simulations of the three historical CID/NCBD complexes (upper three panels) and compared with two extant complexes formed by CREBBP NCBD and alternative protein ligands, p53TAD (pdb code 2L14) (Lee et al., 2010) and a binding domain from IRF-3 (pdb code 1ZOQ) (Qin et al., 2005), respectively. In the IRF-3 complex (bottom panel), NCBD adopts a distinct tertiary structure as compared to complexes with CID and p53. The Gly-Ser residues at the N-terminus of the NCBD sequences result from the expression construct used in the study.
DOI:
http://dx.doi.org/10.7554/eLife.16059.024