Fig. 2: Ligand binding interface and aromatic cage in CXCR3. | Nature Communications

Fig. 2: Ligand binding interface and aromatic cage in CXCR3.

From: Structural visualization of small molecule recognition by CXCR3 uncovers dual-agonism in the CXCR3-CXCR7 system

Fig. 2

a, b Cross-section of the orthosteric pocket in CXCR3 depicting the aromatic cage and the depth of penetration of the ligands with respect to the conserved W6.48. c Orthosteric pocket in CXCR3 showing bound VUF11418 and VUF10661 in inverted ‘U’ and linear shaped conformations, respectively. d, e List of CXCR3 residues interacting with the ligands VUF11418 and VUF10661. f Rotameric transitions in Apo-CXCR3 when compared with the inactive state and VUF-bound CXCR3 structures. (AMG487-CXCR3: purple; PDB: 8K2W, VUF11418-CXCR3: pale violet red, VUF11418: deep teal, VUF10661-CXCR3: olive drab, VUF10661: cyan, Apo-CXCR3: dark goldenrod).

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