Effects of Mg2+ on the binding of the CREB/CRE complex: Full-atom molecular dynamics simulations
Mao Song, Wang Shuai, Deng Haiyou †, Yi Ming ‡
       

The existence of the hydrogen bond between protein interface residue and DNA base in CREB/CRE complex. (a) The hydrogen bond of CREB/CRE complex without the Mg2+ ion (R59NH2-C11OP2, R59NE-C11OP2). (b) The hydrogen bond of CREB/CRE complex with the Mg2+ ion (R59NH2-G12O6). The rose red ball indicates the Mg2+ ion.