Adherence to BurgiDunitz stereochemical （坚持BurgiDunitz立体化学）.pdf

research papers Acta Crystallographica Section D Adherence to Burgi–Dunitz stereochemical ¨ Biological Crystallography principles requires significant structural ISSN 1399-0047 rearrangements in Schiff-base formation: insights from transaldolase complexes a,b ¨ Received 30 August 2013 Samuel H. Light, George The Burgi–Dunitz angle ( ) describes the trajectory of BD Minasov,a,b Mark-Eugene approach of a nucleophile to an electrophile. The adoption of Accepted 8 November 2013 Dubana,c and Wayne F. a stereoelectronically favorable BD can necessitate significant Andersona,b* reactive-group repositioning over the course of bond forma- PDB references: tion. In the context of enzyme catalysis, interactions with the transaldolase, acetate-bound, protein constrain substrate rotation, which could necessitate 4e0c; F6P Schiff-base aCenter for Structural Genomics of Infectious structural transformations during bond formation. To probe complex, 3tkf; S7P Schiff-base Diseases, USA, bDepartment of Molecular ` complex, 3tno; K135M F6P this theoretical framework