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 |