1NX8

Structure of carbapenem synthase (CarC) complexed with N-acetyl proline

1NX8 の概要

• エントリーDOI: 10.2210/pdb1nx8/pdb
• 関連するPDBエントリー: 1NX4
• 分子名称: Carbapenem synthase, FE (III) ION, 2-OXOGLUTARIC ACID, ... (5 entities in total)
• 機能のキーワード: jelly roll, unknown function
• 由来する生物種: Pectobacterium carotovorum
• 細胞内の位置: Cytoplasm : Q9XB59
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 95869.75

構造登録者

Clifton, I.J.,Doan, L.X.,Sleeman, M.C.,Topf, M.,Suzuki, H.,Wilmouth, R.C.,Schofield, C.J. (登録日: 2003-02-10, 公開日: 2003-06-17, 最終更新日: 2023-08-16)

主引用文献

Clifton, I.J.,Doan, L.X.,Sleeman, M.C.,Topf, M.,Suzuki, H.,Wilmouth, R.C.,Schofield, C.J.
Crystal structure of carbapenem synthase (CarC).
J.Biol.Chem., 278:20843-20850, 2003

PubMed Abstract: 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.

PubMed: 12611886
DOI: 10.1074/jbc.M213054200

実験手法

X-RAY DIFFRACTION (2.3 Å)