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The motions of the nucleotides are correlated with several residues.

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posted on 21.11.2013, 03:06 by Peter Man-Un Ung, Andrea D. Thompson, Lyra Chang, Jason E. Gestwicki, Heather A. Carlson

(A) Residues correlated with the nucleotides, listed in Table 3, are colored by how frequently the behavior is observed in the LD simulations of ATP- and ADP/Pi-bound NBD: red, 10 out of 10; yellow, 6 out of 10; green, 4 out of 10; blue <4. (B) Most of the correlated residues are in the nucleotide binding site; here, we highlight the residues with multiple φ-ψ torsion angle clusters, strong correlated motion to nucleotides, and >8 Å away from nucleotide.