Table 5:

Structures comparison between unliganded and liganded complexes for different pairs of CYPs. If side chain atoms of the apo (unliganded) forms clash into the ligands, this can be interpreted as the necessity for conformational rearrangements to avoid such clashes. In other words, backbone and side chain rearrangements in the liganded complex when compared to the apo form, can be interpreted in terms of an induced fit phenomenon.
Apo-enzyme PDB code (crystal template) Complex PDB code (crystal template) CYP & ligand Visible geometrical (Induced fit)
2PG5 (1Z10) [111] ([99]) 2FDY (1Z10) [112] 2A6 & 4,4'-dipyridyl disulfide No
2PG5 (1Z10) [111] ([99]) 1Z10 (1PQ2) [99] 2A6 & coumarin No
1PQ2 (1N6B) [113] ([5]) 2NNI (1PQ2) [114] 2C8 & montelukast No
1PQ2 (1N6B) [113] ([5]) 2NNJ (1PQ2) [114] 2C8 & felodipine No
1TQN [103] 3UA1 (1TGN) [109] 3A4 & bromoergocryptine No
1TQN [103] 3NXU (1TQN) [105] 3A4 & ritonavir yes (backbone shift)
3DAX (2IAG) [to be published] 3SN5 (3DAX) [to be published] 7A1 & (8alpha, 9beta)-cholest-4-en-3-one No
3DAX (2IAG) [to be published] 3V8D (3DAX) [to be published] 7A1 & 7-ketocholesterol No