1OC1

ISOPENICILLIN N SYNTHASE aminoadipoyl-cysteinyl-aminobutyrate-FE COMPLEX

1OC1 の概要

• エントリーDOI: 10.2210/pdb1oc1/pdb
• 関連するPDBエントリー: 1BK0 1BLZ 1HB1 1HB2 1HB3 1HB4 1IPS 1OBN 1QIQ 1QJE 1QJF
• 分子名称: ISOPENICILLIN N SYNTHETASE, DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-D-VINYLGLYCINE, FE (II) ION, ... (5 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: 38255.26

構造登録者

Long, A.J.,Clifton, I.J.,Roach, P.L.,Baldwin, J.E.,Schofield, C.J.,Rutledge, P.J. (登録日: 2003-02-03, 公開日: 2004-02-02, 最終更新日: 2024-05-08)

主引用文献

Long, A.J.,Clifton, I.J.,Roach, P.L.,Baldwin, J.E.,Schofield, C.J.,Rutledge, P.J.
Structural Studies on the Reaction of Isopenicillin N Synthase with the Substrate Analogue Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Alpha-Aminobutyrate
Biochem.J., 372:687-, 2003

PubMed Abstract: Isopenicillin N synthase (IPNS) is a non-haem iron(II) oxidase which catalyses the biosynthesis of isopenicillin N from the tripeptide delta-(L-alpha-aminoadipoyl)-L-cysteinyl-D-valine (ACV). Herein we report crystallographic studies to investigate the reaction of IPNS with the truncated substrate analogue delta-(L-alpha-aminoadipoyl)-L-cysteinyl-D-alpha-aminobutyrate (ACAb). It has been reported previously that this analogue gives rise to three beta-lactam products when incubated with IPNS: two methyl penams and a cepham. Crystal structures of the IPNS-Fe(II)-ACAb and IPNS-Fe(II)-ACAb-NO complexes have now been solved and are reported herein. These structures and modelling studies based on them shed light on the diminished product selectivity shown by IPNS in its reaction with ACAb and further rationalize the presence of certain key residues at the IPNS active site.

PubMed: 12622704
DOI: 10.1042/BJ20021627

実験手法

X-RAY DIFFRACTION (2.2 Å)