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1nx4

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|PDB= 1nx4 |SIZE=350|CAPTION= <scene name='initialview01'>1nx4</scene>, resolution 2.40&Aring;
|PDB= 1nx4 |SIZE=350|CAPTION= <scene name='initialview01'>1nx4</scene>, resolution 2.40&Aring;
|SITE=
|SITE=
-
|LIGAND= <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene> and <scene name='pdbligand=AKG:2-OXYGLUTARIC ACID'>AKG</scene>
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|LIGAND= <scene name='pdbligand=AKG:2-OXYGLUTARIC+ACID'>AKG</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=MSE:SELENOMETHIONINE'>MSE</scene>
|ACTIVITY=
|ACTIVITY=
|GENE= CarC ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=554 Pectobacterium carotovorum])
|GENE= CarC ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=554 Pectobacterium carotovorum])
 +
|DOMAIN=
 +
|RELATEDENTRY=[[1nx8|1NX8]]
 +
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1nx4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1nx4 OCA], [http://www.ebi.ac.uk/pdbsum/1nx4 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1nx4 RCSB]</span>
}}
}}
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[[Category: Topf, M.]]
[[Category: Topf, M.]]
[[Category: Wilmouth, R C.]]
[[Category: Wilmouth, R C.]]
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[[Category: AKG]]
 
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[[Category: FE]]
 
[[Category: jelly roll]]
[[Category: jelly roll]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:02:51 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 22:36:45 2008''

Revision as of 19:36, 30 March 2008

Image:1nx4.gif


PDB ID 1nx4

Drag the structure with the mouse to rotate
, resolution 2.40Å
Ligands: , ,
Gene: CarC (Pectobacterium carotovorum)
Related: 1NX8


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



The crystal structure of carbapenem synthase (CarC)


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

1NX4 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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