1nx8
From Proteopedia
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Structure of carbapenem synthase (CarC) complexed with N-acetyl proline
Overview
The proposed biosynthetic pathway to the carbapenem antibiotics proceeds via epimerization/desaturation of a carbapenam in an unusual process catalyzed by an iron- and 2-oxoglutarate-dependent oxygenase, CarC. Crystal structures of CarC complexed with Fe(II) and 2-oxoglutarate reveal it to be hexameric (space group C2221), consistent with solution studies. CarC monomers contain a double-stranded beta-helix core that supports ligands binding a single Fe(II) to which 2-oxoglutarate complexes in a bi-dentate manner. A structure was obtained with l-N-acetylproline acting as a substrate analogue. Quantum mechanical/molecular mechanical modeling studies with stereoisomers of carbapenams and carbapenems were used to investigate substrate binding. The combined work will stimulate further mechanistic studies and aid in the engineering of carbapenem biosynthesis.
About this Structure
1NX8 is a Single protein structure of sequence from Pectobacterium carotovorum with , and as ligands. Full crystallographic information is available from OCA.
Reference
Crystal structure of carbapenem synthase (CarC)., Clifton IJ, Doan LX, Sleeman MC, Topf M, Suzuki H, Wilmouth RC, Schofield CJ, J Biol Chem. 2003 Jun 6;278(23):20843-50. Epub 2003 Feb 28. PMID:12611886
Page seeded by OCA on Thu Feb 21 14:11:03 2008
Categories: Pectobacterium carotovorum | Single protein | Clifton, I J. | Doan, L X. | Schofield, C J. | Sleeman, M C. | Suzuki, H. | Topf, M. | Wilmouth, R C. | AKG | FE | N7P | Jelly roll
