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. 2019 Jun 21;17:886–894. doi: 10.1016/j.csbj.2019.06.020

Table 2.

Residues involved in the interaction between HMGB1 and CXCL12 used to drive the docking procedure.

Residues of HMGB1 interacting with CXCL12
BoxA 14S, 16Y, 17A, 20V, 24R, 25E, 38F, 39S, 50K, 57K
BoxB 96K, 103F, 104L, 113I, 114K, 115G, 116E, 120L, 137A, 155Y, 158D



Residues of CXCL12 interacting with HMGB1
With BoxA 18V, 19A, 23V, 24K, 25H, 38I, 40A, 41R, 42L, 44N, 48Q, 59N, 64K
With BoxB 15E, 18V, 20R, 23V, 24K, 38I, 40A, 41R, 45N, 51I, 57W, 58I, 59N, 64K, 65A, 66L