Figure 2
Structure of SDR-WM99c (pink) overlaid with its seven closest structural homologues: 3-oxoacyl-(ACP) reductase (S. aureus FabG1; PDB entry 3sj7
; cyan), S. enterica dehydrogenase (PDB entry 4g81
; pale red), 3-oxoacyl-(ACP) reductase (Synechococcus elongatus FabG2; PDB entry 4dmm
; pale green), 3-oxoacyl-(ACP) reductase (S. aureus FabG3; PDB entry 3osu
; pale blue), M. marinum SDR (PDB entry 3r1i
; pale yellow), sorbitol dehydrogenase (Rhodobacter sphaeroides; PDB entry 1k2w
; pale orange) and oestradiol 17-β-dehydrogenase (PDB entry 2pd6
; blue white). The r.m.s.d. is 1.3–1.5 Å over all Cα atoms. Inset: magnification of the proposed catalytic side chains Asn117, Ser146, Tyr159 and Lys163 indicates close alignment of the active-site residues. The depicted NADP model is derived from a FabG1 (PDB entry 3sj7
) ligand-bound crystal structure. |