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. 2023 Feb 10;299(3):102999. doi: 10.1016/j.jbc.2023.102999

Figure 5.

Figure 5

Modeling ligand into the peripheral binding site in the CYP17A1 3-keto, 5α abiraterone inhibitor structure.A and C (chain C) and B and D (chain D) show modeling of the inhibitor with methyls pointed away (A and B) or towards (C and D) the N-terminus. This density was also modeled as tetraethylene glycol (PDB ligand code PG4) in chains C (E) and D (F), because PEG3350 was present during crystallization, but the rest of the PEG molecule cannot be accommodated. 2Fo-Fc maps generated without the ligands are contoured to 1 σ and shown in blue mesh. PDB, Protein Data Bank.