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. 2011 Aug 31;6(8):e24031. doi: 10.1371/journal.pone.0024031

Table 4. Distance measurements (in Angstroms [Å]) for docked conjugated triene poses displayed in Figure 1.

Ligand Color Residue Distance (Å) kcal/mol
eleostearic acid purple H323.NE2 3.16 −5.6
Y473.OH 3.01
Y473.OH 3.27
punicic acid cyan H449.NE2 2.84 −4.28
Y473.OH 3.03
Y473.OH 3.07
calendic acid orange H449.NE2 2.81 −4.47
Y473.OH 3.10
catalpic acid gold S289.OG 3.05 −4.48
H323.NE2 3.03
Y473.OH 3.26
jacaric acid green H449.NE2 2.84 −4.5
Y473.OH 3.16
Y473.OH 3.10
rosiglitazone gray mesh S289.OG 3.02 N/A
H323.NE2 2.83
H449.NE2 3.02
Y473.OH 2.85

Distances were measured between carboxylic oxygen atoms of fatty acids and listed atoms for each residue. Free energy of binding is measured in kilocalories per mole of ligand (kcal/mol). No value is listed for rosiglitazone as this refers to the crystal conformation (denoted “N/A”) Residues are labeled as the amino acid designation plus the atom name (e.g., S289.OG refers to the oxygen atom in the gamma position on serine 289).