9jlm: Difference between revisions
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==Crystal structure of aldolase AtoB 1.9A== | |||
<StructureSection load='9jlm' size='340' side='right'caption='[[9jlm]], [[Resolution|resolution]] 1.90Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[9jlm]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_ochraceus Aspergillus ochraceus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9JLM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9JLM FirstGlance]. <br> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.9Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene></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=9jlm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9jlm OCA], [https://pdbe.org/9jlm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9jlm RCSB], [https://www.ebi.ac.uk/pdbsum/9jlm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9jlm ProSAT]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Enzymes from the nuclear transport factor 2-like (NTF2-like) superfamily represent a rare group of biocatalysts with diverse catalytic functions facilitating intriguing skeleton formations. However, most proteins of this family remain enigmatic and await further elucidation. In this study, a combination of protein structural alignment with clustering analysis uncovers a new aldolase, AtoB, belonging to the NTF2-like superfamily. AtoB catalyzes the key intramolecular aldol reaction in linear tetracyclic meroterpenoid biosynthesis. The X-ray crystal structures of AtoB and AtoB-ligand complex are established at 1.9 A and 1.6 A resolution, respectively, revealing the rotation of the alpha4 helix and key residues in the active site for substrate binding. Molecular docking and site-directed mutagenesis demonstrate an acid-base pair involved in the AtoB-catalyzed aldol reaction, of which Arg59 is responsible for stereocontrol of hydroxylated C-10a during condensation. These findings provide valuable information for understanding the catalytic mechanisms of the AtoB-catalyzed aldol reaction. Additionally, a branching biosynthetic pathway of aspertetranones is elucidated during the exploration of the natural substrate of AtoB. | |||
Three-dimensional structural alignment based discovery and molecular basis of AtoB, catalyzing linear tetracyclic formation.,Ma K, Liu J, Huang Z, Wu M, Liu D, Ren J, Fan A, Lin W Chem Sci. 2024 Oct 11;15(44):18490-6. doi: 10.1039/d4sc05590j. PMID:39430940<ref>PMID:39430940</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
<div class="pdbe-citations 9jlm" style="background-color:#fffaf0;"></div> | |||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Aspergillus ochraceus]] | |||
[[Category: Large Structures]] | |||
[[Category: Fan A]] | |||
[[Category: Lin W]] | |||
[[Category: Ma K]] | |||
Latest revision as of 10:39, 12 March 2025
Crystal structure of aldolase AtoB 1.9A
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