Fig. 2

Catalytic mechanisms for LSD1 inhibition with PCPA (fragment derived from PCPA is highlighted in bold). (A) Three dimensional (3D) binding model of the FAD−PCPA adduct with surrounding residues in LSD1 (PDB code: 2UXX); (B) surface map of the FAD−PCPA adduct in LSD1 (PDB code: 2UXX), the positive electrostatic potentials are colored in blue, the negative electrostatic potentials colored in blue red; (C) co-crystal structure of GSK2699537 (gold)-FAD (green) adduct in LSD1/CoREST complex. Figure 2 A–C are excerpted from the references with permissions [50, 52]. Note: The authors claimed they obtained a high-resolution X-ray co-crystal structure of GSK2699537-FAD adduct in their original work [52], but only the related crystallography data were provided in the supporting information, the PDB code is unavailable in RCSB Protein Data Bank (PDB). Recently, a co-crystal structure of human LSD1 in complex with GSK2879552 (PDB code: 6NQU), a structurally close analog of GSK2699537, has been reported [53] and could be for reference