5n9x: Difference between revisions

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'''Unreleased structure'''


The entry 5n9x is ON HOLD  until Paper Publication
==Structure of adenylation domain THR1 involved in the biosynthesis of 4-chlorothreonine in Streptomyces SP.OH-5093, ligand bound structure==
<StructureSection load='5n9x' size='340' side='right' caption='[[5n9x]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5n9x]] is a 2 chain structure. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=5apb 5apb]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5N9X OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5N9X FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8QN:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]+(2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate'>8QN</scene>, <scene name='pdbligand=ATP:ADENOSINE-5-TRIPHOSPHATE'>ATP</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=THR:THREONINE'>THR</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5n9w|5n9w]]</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=5n9x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5n9x OCA], [http://pdbe.org/5n9x PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5n9x RCSB], [http://www.ebi.ac.uk/pdbsum/5n9x PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5n9x ProSAT]</span></td></tr>
</table>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
We determined the crystal structure of Thr1, the self-standing adenylation domain involved in the nonribosomal-like biosynthesis of free 4-chlorothreonine in Streptomyces sp. OH-5093. Thr1 shows two monomers in the crystallographic asymmetric unit with different relative orientations of the C- and N-terminal subdomains both in the presence of substrates and in the unliganded form. Cocrystallization with substrates, adenosine 5'-triphosphate and l-threonine, yielded one monomer containing the two substrates and the other in complex with l-threonine adenylate, locked in a postadenylation state. Steady-state kinetics showed that Thr1 activates l-Thr and its stereoisomers, as well as d-Ala, l- and d-Ser, albeit with lower efficiency. Modeling of these substrates in the active site highlighted the molecular bases of substrate discrimination. This work provides the first crystal structure of a threonine-activating adenylation enzyme, a contribution to the studies on conformational rearrangement in adenylation domains and on substrate recognition in nonribosomal biosynthesis. DATABASE: Structural data are available in the Protein Data Bank under the accession number 5N9W and 5N9X.


Authors: Savino, C., Vallone, B., Scaglione, A., Parisi, G., Montemiglio, L.C., Fullone, M.R., Grgurina, I.
Structure of the adenylation domain Thr1 involved in the biosynthesis of 4-chlorothreonine in Streptomyces sp. OH-5093-protein flexibility and molecular bases of substrate specificity.,Scaglione A, Fullone MR, Montemiglio LC, Parisi G, Zamparelli C, Vallone B, Savino C, Grgurina I FEBS J. 2017 Sep;284(18):2981-2999. doi: 10.1111/febs.14163. Epub 2017 Aug 7. PMID:28704585<ref>PMID:28704585</ref>


Description: Structure of adenylation domain THR1 involved in the biosynthesis of 4-chlorothreonine in Streptomyces SP.OH-5093, ligand bound structure
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Montemiglio, L.C]]
<div class="pdbe-citations 5n9x" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Fullone, M R]]
[[Category: Grgurina, I]]
[[Category: Montemiglio, L C]]
[[Category: Parisi, G]]
[[Category: Savino, C]]
[[Category: Savino, C]]
[[Category: Scaglione, A]]
[[Category: Scaglione, A]]
[[Category: Vallone, B]]
[[Category: Vallone, B]]
[[Category: Parisi, G]]
[[Category: Adenylation domain]]
[[Category: Grgurina, I]]
[[Category: Ligase]]
[[Category: Fullone, M.R]]
[[Category: Non-ribosomal code]]
[[Category: Substrate specificity]]
[[Category: Threonine adenylate]]
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