2VAX

Crystal structure of deacetylcephalosporin C acetyltransferase (Cephalosporin C-soak)

2VAX の概要

• エントリーDOI: 10.2210/pdb2vax/pdb
• 関連するPDBエントリー: 2VAT 2VAV
• 分子名称: ACETYL-COA--DEACETYLCEPHALOSPORIN C ACETYLTRANSFERASE, 4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM, ACETATE ION, ... (4 entities in total)
• 機能のキーワード: deacetylcephalosporin c, cephalosporin biosynthesis, a/b-hydrolase fold, antibiotic biosynthesis, transferase, acyltransferase, acetyl transferase
• 由来する生物種: ACREMONIUM CHRYSOGENUM
• タンパク質・核酸の鎖数: 12
• 化学式量合計: 596703.52

構造登録者

Lejon, S.,Ellis, J.,Valegard, K. (登録日: 2007-09-04, 公開日: 2008-09-23, 最終更新日: 2024-11-06)

主引用文献

Lejon, S.,Ellis, J.,Valegard, K.
The Last Step in Cephalosporin C Formation Revealed: Crystal Structures of Deacetylcephalosporin C Acetyltransferase from Acremonium Chrysogenum in Complexes with Reaction Intermediates.
J.Mol.Biol., 377:935-, 2008

PubMed Abstract: Deacetylcephalosporin C acetyltransferase (DAC-AT) catalyses the last step in the biosynthesis of cephalosporin C, a broad-spectrum beta-lactam antibiotic of large clinical importance. The acetyl transfer step has been suggested to be limiting for cephalosporin C biosynthesis, but has so far escaped detailed structural analysis. We present here the crystal structures of DAC-AT in complexes with reaction intermediates, providing crystallographic snapshots of the reaction mechanism. The enzyme is found to belong to the alpha/beta hydrolase class of acetyltransferases, and the structures support previous observations of a double displacement mechanism for the acetyl transfer reaction in other members of this class of enzymes. The structures of DAC-AT reported here provide evidence of a stable acyl-enzyme complex, thus underpinning a mechanism involving acetylation of a catalytic serine residue by acetyl coenzyme A, followed by transfer of the acetyl group to deacetylcephalosporin C through a suggested tetrahedral transition state.

PubMed: 18279889
DOI: 10.1016/J.JMB.2008.01.047

実験手法

X-RAY DIFFRACTION (2.6 Å)