Allosteric Model of Maraviroc Binding to CC Chemokine Receptor 5 (CCR5)

Supplemental Data

Files in this Data Supplement:

  • Supplementary Figures and Tables (.pdf, 1.5 MB) - Figure S1: Sequence alignment between the human CCR5 receptor and GPCRs of known 3D structure Figure S2: Detailed composition of the compounds libraries for virtual screening Figure S3: Overview of site-directed mutagenesis studies published for CCR5 Figure S4: Overall 3D structure of the CCR5 7TM models Table S1: Sequence similarity and divergence between the human CCR5 and template GPCRs of known structure Table S2: Additional statistics about the CCR5 3D-models Table S3: Structural comparison of CCR5 3D-models
  • PDB files of the seven CCR5 models (.zip, 622 KB) - CCR5_Rho.pdb CCR5_Ops.pdb CCR5_Aa2A.pdb CCR5_AdrB2.pdb CCR5_mix.pdb CCR5_CXCR4_small.pdb CCR5_CXCR4_peptide.pdb