8aj4: Difference between revisions
No edit summary |
No edit summary |
||
| Line 1: | Line 1: | ||
==X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure A')== | |||
<StructureSection load='8aj4' size='340' side='right'caption='[[8aj4]], [[Resolution|resolution]] 1.22Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[8aj4]] 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=8AJ4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8AJ4 FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=MKO:8,8-bis($l^{1}-oxidanyl)-2,2-dimethyl-8,8-spirobi[3$l^{4},7,9-trioxa-8$l^{6}-vanadabicyclo[4.3.0]nona-1(6),2,4-triene]'>MKO</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=8aj4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8aj4 OCA], [https://pdbe.org/8aj4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8aj4 RCSB], [https://www.ebi.ac.uk/pdbsum/8aj4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8aj4 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 == | |||
The interaction with proteins of metal-based drugs plays a crucial role in their transport, mechanism, and activity. For an active ML(n) complex, where L is the organic carrier, various binding modes (covalent and non-covalent, single or multiple) may occur and several metal moieties (M, ML, ML(2), etc.) may interact with proteins. In this study, we have evaluated the interaction of [V(IV)O(malt)(2)] (bis(maltolato)oxidovanadium(IV) or BMOV, where malt = maltolato, i.e., the common name for 3-hydroxy-2-methyl-4H-pyran-4-onato) with the model protein hen egg white lysozyme (HEWL) by electrospray ionization mass spectrometry, electron paramagnetic resonance, and X-ray crystallography. The multiple binding of different V-containing isomers and enantiomers to different sites of HEWL is observed. The data indicate both non-covalent binding of cis-[VO(malt)(2)(H(2)O)] and [VO(malt)(H(2)O)(3)](+) and covalent binding of [VO(H(2)O)(3-4)](2+) and cis-[VO(malt)(2)] and other V-containing fragments to the side chains of Glu35, Asp48, Asn65, Asp87, and Asp119 and to the C-terminal carboxylate. Our results suggest that the multiple and variable interactions of potential V(IV)OL(2) drugs with proteins can help to better understand their solution chemistry and contribute to define the molecular basis of the mechanism of action of these intriguing molecules. | |||
Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme.,Ferraro G, Paolillo M, Sciortino G, Garribba E, Merlino A Inorg Chem. 2022 Oct 17;61(41):16458-16467. doi: 10.1021/acs.inorgchem.2c02690. , Epub 2022 Oct 7. PMID:36205235<ref>PMID:36205235</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </div> | ||
[[Category: Ferraro | <div class="pdbe-citations 8aj4" style="background-color:#fffaf0;"></div> | ||
[[Category: Merlino | == References == | ||
[[Category: Paolillo | <references/> | ||
__TOC__ | |||
</StructureSection> | |||
[[Category: Gallus gallus]] | |||
[[Category: Large Structures]] | |||
[[Category: Ferraro G]] | |||
[[Category: Merlino A]] | |||
[[Category: Paolillo M]] | |||
Revision as of 13:13, 24 November 2022
X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure A')X-ray structure of lysozyme obtained upon reaction with [VIVO(malt)2] (Structure A')
Structural highlights
FunctionLYSC_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.[1] Publication Abstract from PubMedThe interaction with proteins of metal-based drugs plays a crucial role in their transport, mechanism, and activity. For an active ML(n) complex, where L is the organic carrier, various binding modes (covalent and non-covalent, single or multiple) may occur and several metal moieties (M, ML, ML(2), etc.) may interact with proteins. In this study, we have evaluated the interaction of [V(IV)O(malt)(2)] (bis(maltolato)oxidovanadium(IV) or BMOV, where malt = maltolato, i.e., the common name for 3-hydroxy-2-methyl-4H-pyran-4-onato) with the model protein hen egg white lysozyme (HEWL) by electrospray ionization mass spectrometry, electron paramagnetic resonance, and X-ray crystallography. The multiple binding of different V-containing isomers and enantiomers to different sites of HEWL is observed. The data indicate both non-covalent binding of cis-[VO(malt)(2)(H(2)O)] and [VO(malt)(H(2)O)(3)](+) and covalent binding of [VO(H(2)O)(3-4)](2+) and cis-[VO(malt)(2)] and other V-containing fragments to the side chains of Glu35, Asp48, Asn65, Asp87, and Asp119 and to the C-terminal carboxylate. Our results suggest that the multiple and variable interactions of potential V(IV)OL(2) drugs with proteins can help to better understand their solution chemistry and contribute to define the molecular basis of the mechanism of action of these intriguing molecules. Multiple and Variable Binding of Pharmacologically Active Bis(maltolato)oxidovanadium(IV) to Lysozyme.,Ferraro G, Paolillo M, Sciortino G, Garribba E, Merlino A Inorg Chem. 2022 Oct 17;61(41):16458-16467. doi: 10.1021/acs.inorgchem.2c02690. , Epub 2022 Oct 7. PMID:36205235[2] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
|
| ||||||||||||||||