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Created page with "'''Unreleased structure''' The entry 23fx is ON HOLD Authors: Description: Category: Unreleased Structures"
 
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'''Unreleased structure'''


The entry 23fx is ON HOLD
==Crystal structure of sulX mutant-A399S in complex with FMN and sulfamethazine==
<StructureSection load='23fx' size='340' side='right'caption='[[23fx]], [[Resolution|resolution]] 2.47&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[23fx]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Unclassified_Microbacterium Unclassified Microbacterium]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=23FX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=23FX 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]] 2.47&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A1E1F:4-azanyl-~{N}-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide'>A1E1F</scene>, <scene name='pdbligand=FMN:FLAVIN+MONONUCLEOTIDE'>FMN</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=23fx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=23fx OCA], [https://pdbe.org/23fx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=23fx RCSB], [https://www.ebi.ac.uk/pdbsum/23fx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=23fx ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/A0A482P9Z9_9MICO A0A482P9Z9_9MICO]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The sulfonamide-degrading monooxygenase sulX plays a dual role in bioremediation and antibiotic resistance, yet its molecular mechanism remains elusive. Here we report crystal structures of sulX in its ligand-free form, as an FMN-bound binary complex, and as ternary complexes with six distinct sulfonamides at resolutions ranging from 2.09 to 3.03 A. These structures reveal that sulfonamides bind on the re face of the flavin isoalloxazine ring, with their conserved 4-aminophenol and sulfonyl moieties tightly anchored by pi-stacking and hydrogen-bonding interactions, while the divergent aminated substituents extend into an open cleft with minimal specific contacts-a feature that explains the enzyme's remarkable capacity to accommodate diverse sulfonamide substrates. By integrating structural and biochemical data, we propose a catalytic mechanism involving F265-mediated substrate gating and H397-facilitated proton transfer. In addition, structure-based engineering yielded enhanced variants: A399S, which introduces new hydrogen bonds, showed a 37% increase in activity, and P422K achieved a 29% improvement. Our findings establish the structural basis of sulX-mediated sulfonamide degradation and provide a foundation for understanding sulfonamide resistance mechanisms.


Authors:  
Structural insights into sulfonamide degradation by a two-component flavin-dependent monooxygenase.,Hu Y, Liu W, Zhang Q, Gao Z, Zhang H, Li H, Dai L J Hazard Mater. 2026 Sep 15;517:143643. doi: 10.1016/j.jhazmat.2026.143643. PMID:42748825<ref>PMID:42748825</ref>


Description:  
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
<div class="pdbe-citations 23fx" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Unclassified Microbacterium]]
[[Category: Dai LH]]
[[Category: Gao ZD]]
[[Category: Hu YM]]
[[Category: Li H]]
[[Category: Liu WH]]
[[Category: Zhang HL]]
[[Category: Zhang QS]]
Retrieved from "https://proteopedia.org/23fx"