1nx8

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(New page: 200px<br /><applet load="1nx8" size="450" color="white" frame="true" align="right" spinBox="true" caption="1nx8, resolution 2.30&Aring;" /> '''Structure of carbape...)
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[[Image:1nx8.jpg|left|200px]]<br /><applet load="1nx8" size="450" color="white" frame="true" align="right" spinBox="true"
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[[Image:1nx8.jpg|left|200px]]<br /><applet load="1nx8" size="350" color="white" frame="true" align="right" spinBox="true"
caption="1nx8, resolution 2.30&Aring;" />
caption="1nx8, resolution 2.30&Aring;" />
'''Structure of carbapenem synthase (CarC) complexed with N-acetyl proline'''<br />
'''Structure of carbapenem synthase (CarC) complexed with N-acetyl proline'''<br />
==Overview==
==Overview==
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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.
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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==
==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 FE, AKG and N7P as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1NX8 OCA].
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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].
==Reference==
==Reference==
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[[Category: Pectobacterium carotovorum]]
[[Category: Pectobacterium carotovorum]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: Clifton, I.J.]]
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[[Category: Clifton, I J.]]
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[[Category: Doan, L.X.]]
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[[Category: Doan, L X.]]
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[[Category: Schofield, C.J.]]
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[[Category: Schofield, C J.]]
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[[Category: Sleeman, M.C.]]
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[[Category: Sleeman, M C.]]
[[Category: Suzuki, H.]]
[[Category: Suzuki, H.]]
[[Category: Topf, M.]]
[[Category: Topf, M.]]
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[[Category: Wilmouth, R.C.]]
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[[Category: Wilmouth, R C.]]
[[Category: AKG]]
[[Category: AKG]]
[[Category: FE]]
[[Category: FE]]
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[[Category: jelly roll]]
[[Category: jelly roll]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sat Nov 24 23:57:09 2007''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:11:03 2008''

Revision as of 12:11, 21 February 2008

Image:1nx8.jpg

1nx8, resolution 2.30Å

Drag the structure with the mouse to rotate

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 with , and as ligands. 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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