Fig. 3: Crystallographic analysis of FAD and 2-ABA coordination in PqsL.
From: Photoinduced monooxygenation involving NAD(P)H-FAD sequential single-electron transfer
a Unproductive 2-ABA (cyan) binding in PqsL (PDB ID: 6SW1). b Comparison of the flavin conformation in PqsL (green) to the IN and OUT conformations of FAD in pHBH (red, PDB ID: 1PBB, 1PBE). c Surface representation of the FAD-binding pocket in PqsL. Wild-type (green) and PqsL-Q (blue, PDB ID: 6SW2) FAD conformations are shown in stick representation. Pro273 (golden surface) directly interacts with the flavin, thereby occluding the flavin ring and hampering its interaction with NAD(P)H. d Interaction of Arg45 of PqsL-Q with the FAD pyrophosphate moiety. The conformation of Arg45 is further stabilized by hydrogen bonding to Glu106. e Comparison of the FAD conformations in PqsL wild type (green) and PqsL-Q (blue). The flavin of PqsL-Q is in a more outward position.
