1ips

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[[Image:1ips.jpg|left|200px]]<br /><applet load="1ips" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1ips, resolution 2.5&Aring;" />
 
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'''ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MANGANESE COMPLEX)'''<br />
 
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==Overview==
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==ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MANGANESE COMPLEX)==
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Penicillin antibiotics are all produced from fermentation-derived, penicillins because their chemical synthesis is not commercially viable., The key step in penicillin biosynthesis, in which both the beta-lactam and, thiazolidine rings of the nucleus are created, is mediated by, isopenicillin N synthase (IPNS), which binds ferrous iron and uses, dioxygen as a cosubstrate. In a unique enzymatic step, with no chemical, precedent, IPNS catalyses the transfer of four hydrogen atoms from its, tripeptide substrate to dioxygen forming, in a single reaction, the, complete bicyclic nucleus of the penicillins. We now report the structure, of IPNS complexed with manganese, which reveals the active site is, unusually buried within a 'jelly-roll' motif and lined by hydrophobic, residues, and suggest how this structure permits the process of penicillin, formation. Sequence analyses indicate IPNS, 1-aminocyclopropane-1-carboxylic acid oxidase and many of the, 2-oxo-acid-dependent oxygenases contain a conserved jelly-roll motif, forming a new structural family of enzymes.
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<StructureSection load='1ips' size='340' side='right'caption='[[1ips]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1ips]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_nidulans Aspergillus nidulans]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1IPS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1IPS FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.5&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1ips FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ips OCA], [https://pdbe.org/1ips PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1ips RCSB], [https://www.ebi.ac.uk/pdbsum/1ips PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1ips ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/IPNA_EMENI IPNA_EMENI] Isopenicillin N synthase; part of the gene cluster that mediates the biosynthesis of penicillin, the world's most important antibiotic (PubMed:3319778, PubMed:11755401). IpnA catalyzes the cyclization of the tripeptide N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine (LLD-ACV or ACV) to form isopenicillin N (IPN) that contains the beta-lactam nucleus (PubMed:3319778, PubMed:11755401, PubMed:28703303). The penicillin biosynthesis occurs via 3 enzymatic steps, the first corresponding to the production of the tripeptide N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine (LLD-ACV or ACV) by the NRPS acvA. The tripeptide ACV is then cyclized to isopenicillin N (IPN) by the isopenicillin N synthase ipnA that forms the beta-lactam nucleus. Finally, the alpha-aminoadipyl side chain is exchanged for phenylacetic acid by the isopenicillin N acyltransferase penDE to yield penicillin in the peroxisomal matrix (By similarity).[UniProtKB:P08703]<ref>PMID:11755401</ref> <ref>PMID:28703303</ref> <ref>PMID:3319778</ref>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ip/1ips_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1ips ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1IPS is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Emericella_nidulans Emericella nidulans] with MN as [http://en.wikipedia.org/wiki/ligand ligand]. Known structural/functional Sites: <scene name='pdbsite=SA:Active Site (Mn Binding), A Chain'>SA</scene> and <scene name='pdbsite=SB:Active Site (Mn Binding), B Chain'>SB</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1IPS OCA].
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*[[Isopenicillin N synthase|Isopenicillin N synthase]]
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== References ==
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==Reference==
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<references/>
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Crystal structure of isopenicillin N synthase is the first from a new structural family of enzymes., Roach PL, Clifton IJ, Fulop V, Harlos K, Barton GJ, Hajdu J, Andersson I, Schofield CJ, Baldwin JE, Nature. 1995 Jun 22;375(6533):700-4. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=7791906 7791906]
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__TOC__
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[[Category: Emericella nidulans]]
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</StructureSection>
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[[Category: Single protein]]
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[[Category: Aspergillus nidulans]]
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[[Category: Andersson, I.]]
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[[Category: Large Structures]]
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[[Category: Baldwin, J.E.]]
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[[Category: Andersson I]]
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[[Category: Barton, G.J.]]
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[[Category: Baldwin JE]]
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[[Category: Clifton, I.J.]]
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[[Category: Barton GJ]]
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[[Category: Fulop, V.]]
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[[Category: Clifton IJ]]
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[[Category: Hajdu, J.]]
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[[Category: Fulop V]]
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[[Category: Harlos, K.]]
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[[Category: Hajdu J]]
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[[Category: Roach, P.L.]]
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[[Category: Harlos K]]
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[[Category: Schofield, C.J.]]
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[[Category: Roach PL]]
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[[Category: MN]]
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[[Category: Schofield CJ]]
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[[Category: antibiotic biosynthesis]]
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[[Category: b-lactam antibiotic]]
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[[Category: oxidoreductase]]
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[[Category: oxygenase]]
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[[Category: penicillin biosynthesis]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 16:35:14 2007''
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Current revision

ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (MANGANESE COMPLEX)

PDB ID 1ips

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