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1nx8

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

Structural highlights

1nx8 is a 3 chain structure with sequence from Pectobacterium carotovorum. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 2.3Å
Ligands:	, ,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

CARC_PECCC Catalyzes the Fe(2+) and alpha-ketoglutarate-dependent conversion of (3S,5S)-carbapenam to (5R)-carbapenem, an essential step in carbapenem antibiotic biosynthesis.^[1] ^[2] ^[3] ^[4]

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

Publication Abstract from PubMed

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.

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^[5]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ McGowan SJ, Sebaihia M, O'Leary S, Hardie KR, Williams P, Stewart GS, Bycroft BW, Salmond GP. Analysis of the carbapenem gene cluster of Erwinia carotovora: definition of the antibiotic biosynthetic genes and evidence for a novel beta-lactam resistance mechanism. Mol Microbiol. 1997 Nov;26(3):545-56. PMID:9402024
↑ Stapon A, Li R, Townsend CA. Carbapenem biosynthesis: confirmation of stereochemical assignments and the role of CarC in the ring stereoinversion process from L-proline. J Am Chem Soc. 2003 Jul 16;125(28):8486-93. PMID:12848554 doi:http://dx.doi.org/10.1021/ja034248a
↑ Sleeman MC, Smith P, Kellam B, Chhabra SR, Bycroft BW, Schofield CJ. Biosynthesis of carbapenem antibiotics: new carbapenam substrates for carbapenem synthase (CarC). Chembiochem. 2004 Jun 7;5(6):879-82. PMID:15174175 doi:http://dx.doi.org/10.1002/cbic.200300908
↑ Clifton IJ, Doan LX, Sleeman MC, Topf M, Suzuki H, Wilmouth RC, Schofield CJ. Crystal structure of carbapenem synthase (CarC). J Biol Chem. 2003 Jun 6;278(23):20843-50. Epub 2003 Feb 28. PMID:12611886 doi:10.1074/jbc.M213054200
↑ Clifton IJ, Doan LX, Sleeman MC, Topf M, Suzuki H, Wilmouth RC, Schofield CJ. Crystal structure of carbapenem synthase (CarC). J Biol Chem. 2003 Jun 6;278(23):20843-50. Epub 2003 Feb 28. PMID:12611886 doi:10.1074/jbc.M213054200

1 Structural highlights
2 Function
3 Evolutionary Conservation
4 Publication Abstract from PubMed
5 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1nx8"

@@ Line 1: / Line 1: @@
 ==Structure of carbapenem synthase (CarC) complexed with N-acetyl proline==
-<StructureSection load='1nx8' size='340' side='right' caption='[[1nx8]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
+<StructureSection load='1nx8' size='340' side='right'caption='[[1nx8]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[1nx8]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_carotovorus"_jones_1901 "bacillus carotovorus" jones 1901]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NX8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1NX8 FirstGlance]. <br>
+<table><tr><td colspan='2'>[[1nx8]] is a 3 chain structure with sequence from [https://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]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1NX8 FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AKG:2-OXOGLUTARIC+ACID'>AKG</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=N7P:1-ACETYL-L-PROLINE'>N7P</scene></td></tr>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.3&#8491;</td></tr>
-<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1nx4|1nx4]]</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AKG:2-OXOGLUTARIC+ACID'>AKG</scene>, <scene name='pdbligand=FE:FE+(III)+ION'>FE</scene>, <scene name='pdbligand=N7P:1-ACETYL-L-PROLINE'>N7P</scene></td></tr>
-<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">CarC ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=554 "Bacillus carotovorus" Jones 1901])</td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1nx8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1nx8 OCA], [https://pdbe.org/1nx8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1nx8 RCSB], [https://www.ebi.ac.uk/pdbsum/1nx8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1nx8 ProSAT]</span></td></tr>
-<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1nx8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1nx8 OCA], [http://pdbe.org/1nx8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1nx8 RCSB], [http://www.ebi.ac.uk/pdbsum/1nx8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1nx8 ProSAT]</span></td></tr>
 </table>
 == Function ==
-[[http://www.uniprot.org/uniprot/CARC_PECCC CARC_PECCC]] Catalyzes the Fe(2+) and alpha-ketoglutarate-dependent conversion of (3S,5S)-carbapenam to (5R)-carbapenem, an essential step in carbapenem antibiotic biosynthesis.<ref>PMID:9402024</ref> <ref>PMID:12848554</ref> <ref>PMID:15174175</ref> <ref>PMID:12611886</ref>
+[https://www.uniprot.org/uniprot/CARC_PECCC CARC_PECCC] Catalyzes the Fe(2+) and alpha-ketoglutarate-dependent conversion of (3S,5S)-carbapenam to (5R)-carbapenem, an essential step in carbapenem antibiotic biosynthesis.<ref>PMID:9402024</ref> <ref>PMID:12848554</ref> <ref>PMID:15174175</ref> <ref>PMID:12611886</ref>
 == Evolutionary Conservation ==
 [[Image:Consurf_key_small.gif|200px|right]]
 Check<jmol>
   <jmolCheckbox>
-    <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/nx/1nx8_consurf.spt"</scriptWhenChecked>
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/nx/1nx8_consurf.spt"</scriptWhenChecked>
     <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
     <text>to colour the structure by Evolutionary Conservation</text>
@@ Line 34: / Line 33: @@
 __TOC__
 </StructureSection>
-[[Category: Bacillus carotovorus jones 1901]]
+[[Category: Large Structures]]
-[[Category: Clifton, I J]]
+[[Category: Pectobacterium carotovorum]]
-[[Category: Doan, L X]]
+[[Category: Clifton IJ]]
-[[Category: Schofield, C J]]
+[[Category: Doan LX]]
-[[Category: Sleeman, M C]]
+[[Category: Schofield CJ]]
-[[Category: Suzuki, H]]
+[[Category: Sleeman MC]]
-[[Category: Topf, M]]
+[[Category: Suzuki H]]
-[[Category: Wilmouth, R C]]
+[[Category: Topf M]]
-[[Category: Jelly roll]]
+[[Category: Wilmouth RC]]
-[[Category: Unknown function]]

1nx8

From Proteopedia

Current revision

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

Structural highlights

Function

Evolutionary Conservation

Publication Abstract from PubMed

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

Views

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