9s2a: Difference between revisions

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'''Unreleased structure'''


The entry 9s2a is ON HOLD  until Paper Publication
==X-ray structure of lysozyme obtained upon reaction with the dioxidovanadium(V) complex with thiophene-2-carboxylic acid (3-ethoxy-2-hydroxybenzylidene)hydrazide==
<StructureSection load='9s2a' size='340' side='right'caption='[[9s2a]], [[Resolution|resolution]] 1.37&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[9s2a]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Gallus_gallus Gallus gallus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=9S2A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9S2A 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]] 1.37&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A1JLF:13-ethoxy-5-thiophen-2-yl-2,4$l^{3}-dioxa-6-aza-7-azonia-3$l^{7}-vanadatricyclo[7.4.0.0^{3,7}]trideca-1(9),4,7,10,12-pentaene+3,3-dioxide'>A1JLF</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</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=9s2a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9s2a OCA], [https://pdbe.org/9s2a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9s2a RCSB], [https://www.ebi.ac.uk/pdbsum/9s2a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9s2a ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/LYSC_CHICK LYSC_CHICK] Lysozymes have primarily a bacteriolytic function; those in tissues and body fluids are associated with the monocyte-macrophage system and enhance the activity of immunoagents. Has bacteriolytic activity against M.luteus.<ref>PMID:22044478</ref>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Three new water-stable aqueous dioxidovanadium(V) complexes, [(V(V)O(2)L(1-3))M(H(2)O)(n)] (1-3), incorporating hydrazone ligands with different alkali metals (Na(+)/K(+)) as counterions were synthesized and characterized by various physicochemical approaches, including single-crystal X-ray diffraction (SCXRD). Time-dependent spectroscopic/spectrometric techniques were used to determine their aqueous-phase stabilities. Blood compatibility studies were employed to investigate their efficacy and stability with human red blood cells. Lipophilicity and calf thymus (CT)-DNA interaction of 1-3 were investigated using conventional techniques. High-resolution molecular structures of the adduct formed between 1 and hen egg white lysozyme (HEWL) were determined by SCXRD. The structural analysis reveals that the compound self-assembles within protein crystals, forming a dimeric structure that non-covalently interacts with the protein surface. The binding of 1 to HEWL was also evaluated through different spectroscopic methods. Fluorescence data indicate that 1 can also bind the physiologically relevant protein human serum albumin at pH 7.4. Furthermore, the cytotoxicity of 1-3 was evaluated against the lung (A549) and human breast adenocarcinoma (MCF-7) cancer cell lines, as well as an human embryonic kidney cell line (HEK-293) noncancerous cell line. 1 (IC(50) value of 9.2 +/- 0.1 muM) is more effective than the other two complexes. It induces cell death via apoptosis.


Authors: Paolillo, M., Ferraro, G., Merlino, A.
Binding of Aqueous-Stable, Lipophilic, Hemocompatible Anticancer V(V)O(2) Metallodrugs with Biological Molecules: X-ray Structures of the Adduct of the V(V)-hydrazonato Complex with Hen Egg White Lysozyme.,Mohapatra D, Pattanayak PD, Kaminsky W, Paolillo M, Tito G, Ferraro G, Merlino A, Dinda R Inorg Chem. 2026 Mar 30;65(12):6412-6433. doi: 10.1021/acs.inorgchem.5c05201. , Epub 2026 Mar 14. PMID:41830615<ref>PMID:41830615</ref>


Description: X-ray structure of lysozyme obtained upon reaction with the dioxidovanadium(V) complex with thiophene-2-carboxylic acid (3-ethoxy-2-hydroxybenzylidene)hydrazide
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Merlino, A]]
<div class="pdbe-citations 9s2a" style="background-color:#fffaf0;"></div>
[[Category: Ferraro, G]]
== References ==
[[Category: Paolillo, M]]
<references/>
__TOC__
</StructureSection>
[[Category: Gallus gallus]]
[[Category: Large Structures]]
[[Category: Ferraro G]]
[[Category: Merlino A]]
[[Category: Paolillo M]]
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