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. Author manuscript; available in PMC: 2023 Oct 24.
Published in final edited form as: J Chem Inf Model. 2022 Oct 4;62(20):4937–4954. doi: 10.1021/acs.jcim.2c00209

Figure 9:

Figure 9:

Mapping of Class A C-X-C motif chemokine receptors. A. Mapping results, represented as blue mesh, for the Class A Prostaglandin D2 Receptor 2 (DP2receptor) (PDB ID 6D26) (orange) superimposed with the allosteric ligand IT1t (PDB ID ITD) (green sticks) from Class A allosteric protein C-X-C motif chemokine receptor 4 (PDB ID 3ODU). B. 6D26 with co-crystalized ligand (PDB code FSY) (blue) superimposed with the allosteric protein, 3ODU (gray). Also shown are stick representations of three residues from the ITD binding pocket in 3ODU that were conserved in the 6D26 structure. C. Mapping results, represented as pink mesh, for the DP2 receptor structure 6D27 (cyan) with the allosteric ligand ITD (green sticks) from 3ODU. D. 6D27with co-crystalized ligand FT4 (pink sticks) superimposed with 3ODU (gray) and co-crystalized ligand ITD (green sticks). Also shown are the three residues from 3ODU’s ITD binding pocket that were conserved in the 6D27 structure.