9jlm

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Current revision (10:39, 12 March 2025) (edit) (undo)
 
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'''Unreleased structure'''
 
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The entry 9jlm is ON HOLD until Paper Publication
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==Crystal structure of aldolase AtoB 1.9A==
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<StructureSection load='9jlm' size='340' side='right'caption='[[9jlm]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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== Structural highlights ==
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<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>
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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]] 1.9&#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=CA:CALCIUM+ION'>CA</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=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>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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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.
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Authors:
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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>
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Description:
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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<div class="pdbe-citations 9jlm" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Aspergillus ochraceus]]
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[[Category: Large Structures]]
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[[Category: Fan A]]
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[[Category: Lin W]]
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[[Category: Ma K]]

Current revision

Crystal structure of aldolase AtoB 1.9A

PDB ID 9jlm

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