Figure 2 | Scientific Reports

Figure 2

From: Alternative substrate-bound conformation of bacterial solute-binding protein involved in the import of mammalian host glycosaminoglycans

Figure 2

Three-dimensional structure of CΔ4S6S-bound Smon0123. Overall structure (A) and the binding mode of Smon0123 to CΔ4S6S (B). (A) Green, N1 subdomain; light green, N2 subdomain; orange, C1 subdomain; and light orange, C2 subdomain. The ball model shows CΔ4S6S (pink, carbon atom; red, oxygen atom; blue, nitrogen atom; and yellow, sulfur atom). Gray ball shows the calcium ion. (B) The pink stick model shows CΔ4S6S (pink, carbon atom; red, oxygen atom; blue, nitrogen atom; and yellow, sulfur atom). Stick models show Smon0123 amino acid residues that interact with CΔ4S6S via hydrogen bonds and/or van der Waals contacts (green/light green/orange, carbon atom; red, oxygen atom; and blue, nitrogen atom). Dark red and cyan dashed lines show direct and indirect hydrogen bonds between Smon0123 and CΔ4S6S, respectively. Small cyan balls show water molecules. (C) Electrostatic potential of the substrate-binding pocket. The stick model shows CΔ4S6S. Blue and red surfaces refer to positively and negatively charged spaces, respectively.

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