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. 2019 Dec 3;2(1):304–314. doi: 10.1039/c9na00503j

The binding score of the interactions of the biotin and its corresponding active site residues for the best-docked poses of various Cux-streptavidin protein.

Nanocluster BA_biotin (kcal mol−1) Interacting active site residues
Cu0 −224.65 Gly 16, Glu 98
Cu1 −264.78 Gly 16, Gly 68, Gly 98, Thr 71
Cu6 −265.58 Gly 16, Gly 68, Gly 98, Thr 71
Cu13 −254.13 Gly 16, Gly 98, Thr 71
Cu20 −273.37 Gly 16, Ile 17, Gly 68, Gly 98, Thr 71
Cu57 −234.20 Gly 16, Glu 98