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1qjf

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[[Image:1qjf.jpg|left|200px]]
[[Image:1qjf.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1qjf |SIZE=350|CAPTION= <scene name='initialview01'>1qjf</scene>, resolution 1.40&Aring;
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The line below this paragraph, containing "STRUCTURE_1qjf", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=SA:Active+Site+(Fe+Binding)'>SA</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=ACS:1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-(4R)-SULFANYLAZETIDIN-2-ONE'>ACS</scene>, <scene name='pdbligand=FE2:FE+(II)+ION'>FE2</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|GENE= PCB C ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=162425 Emericella nidulans])
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|DOMAIN=
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{{STRUCTURE_1qjf| PDB=1qjf | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1qjf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1qjf OCA], [http://www.ebi.ac.uk/pdbsum/1qjf PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1qjf RCSB]</span>
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}}
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'''ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MONOCYCLIC SULFOXIDE-FE COMPLEX)'''
'''ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MONOCYCLIC SULFOXIDE-FE COMPLEX)'''
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[[Category: Roach, P L.]]
[[Category: Roach, P L.]]
[[Category: Rutledge, P J.]]
[[Category: Rutledge, P J.]]
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[[Category: b-lactam antibiotic]]
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[[Category: B-lactam antibiotic]]
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[[Category: monocyclic intermediate]]
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[[Category: Monocyclic intermediate]]
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[[Category: oxygenase]]
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[[Category: Oxygenase]]
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[[Category: penicillin biosynthesis]]
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[[Category: Penicillin biosynthesis]]
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[[Category: sulfoxide]]
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[[Category: Sulfoxide]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 06:20:58 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:14:31 2008''
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Revision as of 03:20, 3 May 2008

Template:STRUCTURE 1qjf

ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MONOCYCLIC SULFOXIDE-FE COMPLEX)


Overview

Isopenicillin N synthase (IPNS), a non-haem iron-dependent oxidase, catalyses the biosynthesis of isopenicillin N (IPN), the precursor of all penicillins and cephalosporins. The key steps in this reaction are the two iron-dioxygen-mediated ring closures of the tripeptide delta-(L-alpha-aminoadipoyl)-L-cysteinyl-D-valine (ACV). It has been proposed that the four-membered beta-lactam ring forms initially, associated with a highly oxidized iron(iv)-oxo (ferryl) moiety, which subsequently mediates closure of the five-membered thiazolidine ring. Here we describe observation of the IPNS reaction in crystals by X-ray crystallography. IPNS Fe2+ substrate crystals were grown anaerobically, exposed to high pressures of oxygen to promote reaction and frozen, and their structures were elucidated by X-ray diffraction. Using the natural substrate ACV, this resulted in the IPNS x Fe2+ x IPN product complex. With the substrate analogue, delta-(L-alpha-aminoadipoyl)-L-cysteinyl-L-S-methylcysteine (ACmC) in the crystal, the reaction cycle was interrupted at the monocyclic stage. These mono- and bicyclic structures support our hypothesis of a two-stage reaction sequence leading to penicillin. Furthermore, the formation of a monocyclic sulphoxide product from ACmC is most simply explained by the interception of a high-valency iron-oxo species.

About this Structure

1QJF is a Single protein structure of sequence from Emericella nidulans. Full crystallographic information is available from OCA.

Reference

The reaction cycle of isopenicillin N synthase observed by X-ray diffraction., Burzlaff NI, Rutledge PJ, Clifton IJ, Hensgens CM, Pickford M, Adlington RM, Roach PL, Baldwin JE, Nature. 1999 Oct 14;401(6754):721-4. PMID:10537113 Page seeded by OCA on Sat May 3 06:20:58 2008

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