4c5b

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<StructureSection load='4c5b' size='340' side='right'caption='[[4c5b]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
<StructureSection load='4c5b' size='340' side='right'caption='[[4c5b]], [[Resolution|resolution]] 1.50&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4c5b]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Ecoli Ecoli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C5B OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4C5B FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4c5b]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4C5B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4C5B FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ADP:ADENOSINE-5-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=CO3:CARBONATE+ION'>CO3</scene>, <scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ADP:ADENOSINE-5-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=CO3:CARBONATE+ION'>CO3</scene>, <scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4c5a|4c5a]], [[4c5c|4c5c]]</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=4c5b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c5b OCA], [https://pdbe.org/4c5b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4c5b RCSB], [https://www.ebi.ac.uk/pdbsum/4c5b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4c5b ProSAT]</span></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/D-alanine--D-alanine_ligase D-alanine--D-alanine ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.3.2.4 6.3.2.4] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4c5b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c5b OCA], [http://pdbe.org/4c5b PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4c5b RCSB], [http://www.ebi.ac.uk/pdbsum/4c5b PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4c5b ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/C4ZRI7_ECOBW C4ZRI7_ECOBW]] Cell wall formation.[HAMAP-Rule:MF_00047][SAAS:SAAS00058712]
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[[https://www.uniprot.org/uniprot/DDLB_ECOLI DDLB_ECOLI]] Cell wall formation.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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D-cycloserine is an antibiotic which targets sequential bacterial cell wall peptidoglycan biosynthesis enzymes: alanine racemase and D-alanine:D-alanine ligase. By a combination of structural, chemical and mechanistic studies here we show that the inhibition of D-alanine:D-alanine ligase by the antibiotic D-cycloserine proceeds via a distinct phosphorylated form of the drug. This mechanistic insight reveals a bimodal mechanism of action for a single antibiotic on different enzyme targets and has significance for the design of future inhibitor molecules based on this chemical structure.
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Inhibition of D-Ala:D-Ala ligase through a phosphorylated form of the antibiotic D-cycloserine.,Batson S, de Chiara C, Majce V, Lloyd AJ, Gobec S, Rea D, Fulop V, Thoroughgood CW, Simmons KJ, Dowson CG, Fishwick CWG, de Carvalho LPS, Roper DI Nat Commun. 2017 Dec 5;8(1):1939. doi: 10.1038/s41467-017-02118-7. PMID:29208891<ref>PMID:29208891</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 4c5b" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
*[[D-alanine-D-alanine ligase 3D structures|D-alanine-D-alanine ligase 3D structures]]
*[[D-alanine-D-alanine ligase 3D structures|D-alanine-D-alanine ligase 3D structures]]
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== References ==
 
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<references/>
 
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: D-alanine--D-alanine ligase]]
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[[Category: Escherichia coli K-12]]
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[[Category: Ecoli]]
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[[Category: Large Structures]]
[[Category: Large Structures]]
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[[Category: Batson, S]]
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[[Category: Batson S]]
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[[Category: Fishwick, C W.G]]
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[[Category: Fishwick CWG]]
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[[Category: Fulop, V]]
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[[Category: Fulop V]]
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[[Category: Lloyd, A J]]
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[[Category: Lloyd AJ]]
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[[Category: Majce, V]]
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[[Category: Majce V]]
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[[Category: Rea, D]]
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[[Category: Rea D]]
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[[Category: Roper, D I]]
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[[Category: Roper DI]]
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[[Category: Simmons, K J]]
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[[Category: Simmons KJ]]
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[[Category: Ddlb]]
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[[Category: Ligase]]
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Revision as of 17:27, 7 September 2022

The X-ray crystal structure of D-alanyl-D-alanine ligase in complex with ATP and D-ala-D-ala

PDB ID 4c5b

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