1nx8

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[[Image:1nx8.jpg|left|200px]]<br /><applet load="1nx8" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1nx8.jpg|left|200px]]
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caption="1nx8, resolution 2.30&Aring;" />
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'''Structure of carbapenem synthase (CarC) complexed with N-acetyl proline'''<br />
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{{Structure
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|PDB= 1nx8 |SIZE=350|CAPTION= <scene name='initialview01'>1nx8</scene>, resolution 2.30&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=AKG:2-OXYGLUTARIC+ACID'>AKG</scene> and <scene name='pdbligand=N7P:1-ACETYL-D-PROLINE'>N7P</scene>
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|ACTIVITY=
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|GENE= CarC ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=554 Pectobacterium carotovorum])
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}}
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'''Structure of carbapenem synthase (CarC) complexed with N-acetyl proline'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1NX8 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Pectobacterium_carotovorum Pectobacterium carotovorum] with <scene name='pdbligand=FE:'>FE</scene>, <scene name='pdbligand=AKG:'>AKG</scene> and <scene name='pdbligand=N7P:'>N7P</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NX8 OCA].
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1NX8 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Pectobacterium_carotovorum Pectobacterium carotovorum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NX8 OCA].
==Reference==
==Reference==
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Crystal structure of carbapenem synthase (CarC)., Clifton IJ, Doan LX, Sleeman MC, Topf M, Suzuki H, Wilmouth RC, Schofield CJ, J Biol Chem. 2003 Jun 6;278(23):20843-50. Epub 2003 Feb 28. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=12611886 12611886]
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Crystal structure of carbapenem synthase (CarC)., Clifton IJ, Doan LX, Sleeman MC, Topf M, Suzuki H, Wilmouth RC, Schofield CJ, J Biol Chem. 2003 Jun 6;278(23):20843-50. Epub 2003 Feb 28. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12611886 12611886]
[[Category: Pectobacterium carotovorum]]
[[Category: Pectobacterium carotovorum]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: jelly roll]]
[[Category: jelly roll]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:11:03 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:02:54 2008''

Revision as of 11:02, 20 March 2008

Image:1nx8.jpg


PDB ID 1nx8

Drag the structure with the mouse to rotate
, resolution 2.30Å
Ligands: , and
Gene: CarC (Pectobacterium carotovorum)
Coordinates: save as pdb, mmCIF, xml



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


Overview

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.

About this Structure

1NX8 is a Single protein structure of sequence from Pectobacterium carotovorum. Full crystallographic information is available from OCA.

Reference

Crystal structure of carbapenem synthase (CarC)., Clifton IJ, Doan LX, Sleeman MC, Topf M, Suzuki H, Wilmouth RC, Schofield CJ, J Biol Chem. 2003 Jun 6;278(23):20843-50. Epub 2003 Feb 28. PMID:12611886

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