3ZOI

ISOPENICILLIN N SYNTHASE WITH AC-O-METHYL-D-THREONINE

「2Y86」から置き換えられました

3ZOI の概要

• エントリーDOI: 10.2210/pdb3zoi/pdb
• 分子名称: ISOPENICILLIN N SYNTHASE, DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-O-METHYL-D-THREONINE, FE (III) ION, ... (6 entities in total)
• 機能のキーワード: oxidoreductase, b-lactam antibiotic, oxygenase, penicillin biosynthesis
• 由来する生物種: Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139) (Aspergillus nidulans)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 38475.46

構造登録者

Rutledge, P.J.,Clifton, I.J.,Ge, W. (登録日: 2013-02-21, 公開日: 2013-06-26, 最終更新日: 2024-05-08)

主引用文献

Clifton, I.J.,Ge, W.,Adlington, R.M.,Baldwin, J.E.,Rutledge, P.J.
The Crystal Structure of an Isopenicillin N Synthase Complex with an Ethereal Substrate Analogue Reveals Water in the Oxygen Binding Site.
FEBS Lett., 587:2705-, 2013

PubMed Abstract: Isopenicillin N synthase (IPNS) is a non-heme iron oxidase central to the biosynthesis of β-lactam antibiotics. IPNS converts the tripeptide δ-(L-α-aminoadipoyl)-L-cysteinyl-D-valine (ACV) to isopenicillin N while reducing molecular oxygen to water. The substrate analogue δ-(L-α-aminoadipoyl)-L-cysteinyl-O-methyl-D-threonine (ACmT) is not turned over by IPNS. Epimeric δ-(L-α-aminoadipoyl)-L-cysteinyl-O-methyl-D-allo-threonine (ACmaT) is converted to a bioactive penam product. ACmT and ACmaT differ from each other only in the stereochemistry at the β-carbon atom of their third residue. These substrates both contain a methyl ether in place of the isopropyl group of ACV. We report an X-ray crystal structure for the anaerobic IPNS:Fe(II):ACmT complex. This structure reveals an additional water molecule bound to the active site metal, held by hydrogen-bonding to the ether oxygen atom of the substrate analogue.

PubMed: 23860486
DOI: 10.1016/J.FEBSLET.2013.07.016

実験手法

X-RAY DIFFRACTION (1.82 Å)