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. 2013 Sep;137:27–49. doi: 10.1016/j.jsbmb.2012.12.014

Table 3.

The crystal structures of cytochrome P450 3A4. The structures of the ligands are shown in Fig. 22.

PDB code Ligands Reference
1TQN [115]
1W0E [116]
1W0F Progesteronea [116]
1W0G Metyrapone [116]
2J0D Erythromycin A [117]
2V0M Ketoconazoleb [117]
3NXU Ritonavir [118]
3TJS Desthiazolylmethyloxycarbonyl ritonavir [119]
3UA1 Bromoergocryptine [120]
a

The progesterone is not in the substrate binding site, but in a groove on the surface of the protein.

b

There are two molecules of ketoconazole in the substrate binding site.