View source for 1aj1


==NMR STRUCTURE OF THE LANTIBIOTIC ACTAGARDINE==
<StructureSection load='1aj1' size='340' side='right'caption='[[1aj1]]' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[1aj1]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Actinoplanes_liguriensis Actinoplanes liguriensis]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AJ1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1AJ1 FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR, 15 models</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=DBB:D-ALPHA-AMINOBUTYRIC+ACID'>DBB</scene>, <scene name='pdbligand=PRD_000194:ACTAGARDINE'>PRD_000194</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=1aj1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1aj1 OCA], [https://pdbe.org/1aj1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1aj1 RCSB], [https://www.ebi.ac.uk/pdbsum/1aj1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1aj1 ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/LANA_ACTGA LANA_ACTGA] Has potent antibacterial activity against some Gram-positive bacteria (PubMed:19400806). Has good antistreptococcal activity. Inhibits cell wall biosynthesis by binding to lipid II and blocking transglycosylation (PubMed:9449277).<ref>PMID:19400806</ref> <ref>PMID:9449277</ref> 
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== Publication Abstract from PubMed ==
The three-dimensional solution structure of the lantibiotic actagardine was determined at high resolution by homonuclear and heteronuclear two-dimensional and three-dimensional NMR spectroscopy in [2H3]acetonitrile/H2O (7:3). 133 non-trivial distance and 22 torsional-angle constraints were derived from the NMR data. An ensemble of 15 low-energy structures was calculated by distance geometry followed by an iterative relaxation-matrix-refinement procedure. The rmsd of the backbone coordinates with respect to the average structure was 17 pm. The two distinct thioether ring systems 1-6 and 7-19 were even better defined, with backbone rmsd of 10 pm and 14 pm, respectively. Actagardine shows a rigid compact globular shape based on the constraining bridging pattern, which is composed of an N-terminal lanthionine ring from residues 1-6 and three intertwined C-terminal methyllanthionine rings comprising residues 7-12, 9-17 and 14-19. In addition, this C-terminal ring system is stabilised by a short antiparallel beta sheet. A feature of the actagardine structure is the presence of two putative binding pockets. A pocket is generated by the covalent constraints of the C-terminal thioether ring system. The rim of this pocket is built up by a loop structure comprising residues 12-19, whose backbone amide protons are all directed to the centre of the pocket. The second pocket is formed by an L-shaped orientation of the N-terminal and C-terminal thioether ring systems. The only two hydrophilic amino acid residues of actagardine, Glu11 and Ser2, are directed to this pocket. A region of high sequence similarity with the related lantibiotic mersacidin is located exactly at the position of the second pocket (residues 3-12). This suggests that the second pocket is responsible for the antibiotic mode of action of actagardine and mersacidin as inhibitors of the murein biosynthesis of gram-positive bacteria.

The three-dimensional solution structure of the lantibiotic murein-biosynthesis-inhibitor actagardine determined by NMR.,Zimmermann N, Jung G Eur J Biochem. 1997 Jun 15;246(3):809-19. PMID:9219543<ref>PMID:9219543</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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== References ==
<references/>
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</StructureSection>
[[Category: Actinoplanes liguriensis]]
[[Category: Large Structures]]
[[Category: Jung G]]
[[Category: Zimmermann N]]