7a11 - Revision history

OCA at 12:01, 1 February 2024

2024-02-01T12:01:48Z

←Older revision		Revision as of 12:01, 1 February 2024
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	<StructureSection load='7a11' size='340' side='right'caption='[[7a11]], [[Resolution\|resolution]] 1.65Å' scene=''>		<StructureSection load='7a11' size='340' side='right'caption='[[7a11]], [[Resolution\|resolution]] 1.65Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7a11]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Myctu Myctu~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7A11 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7A11 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7a11]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7A11 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7A11 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>~~, ~~<scene name='pdbligand=XL3:PROPANE-~~1~~-THIOL'>XL3</scene>~~</td></tr>	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.65Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max-height: 3em;~~'>~~[[7a0z\|7a0z]], [[7a10\|7a10]]~~</~~div~~><~~/td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=XL3:PROPANE-1-THIOL'>XL3</scene></td></tr>
-	~~<tr id~~='~~gene'><td class~~=~~"sblockLbl"><b>[[Gene\|Gene~~:~~]]</b~~></td>~~<td class="sblockDat">ldtB, lppS, Rv2518c, RVBD_2518c, P425_02624 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83332 MYCTU])~~</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=7a11 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a11 OCA], [https://pdbe.org/7a11 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7a11 RCSB], [https://www.ebi.ac.uk/pdbsum/7a11 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7a11 ProSAT]</span></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=7a11 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a11 OCA], [https://pdbe.org/7a11 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7a11 RCSB], [https://www.ebi.ac.uk/pdbsum/7a11 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7a11 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/LDT2_MYCTU LDT2_MYCTU]] Generates 3->3 cross-links in peptidoglycan, catalyzing the cleavage of the mDap(3)-D-Ala(4) bond of a tetrapeptide donor stem and the formation of a bond between the carbonyl of mDap(3) of the donor stem and the side chain of mDap(3) of the acceptor stem. Is specific for donor substrates containing a stem tetrapeptide since it cannot use pentapeptide stems.<ref>PMID:24041897</ref>	+	[https://www.uniprot.org/uniprot/LDT2_MYCTU LDT2_MYCTU] Generates 3->3 cross-links in peptidoglycan, catalyzing the cleavage of the mDap(3)-D-Ala(4) bond of a tetrapeptide donor stem and the formation of a bond between the carbonyl of mDap(3) of the donor stem and the side chain of mDap(3) of the acceptor stem. Is specific for donor substrates containing a stem tetrapeptide since it cannot use pentapeptide stems.<ref>PMID:24041897</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Myctu~~]]	+	[[Category: Mycobacterium tuberculosis H37Rv]]
-	[[Category: Schnell, R]]	+	[[Category: Schnell R]]
-	[[Category: Steiner~~, E M]]~~	+	[[Category: Steiner EM]]
-	~~[[Category: Antibiotic]]~~	+
-	~~[[Category: Beta-lactam]]~~	+
-	~~[[Category: Cell wall]]~~	+
-	~~[[Category: Covalent inhibitor]]~~	+
-	~~[[Category: Ligase]]~~	+
-	~~[[Category: Mycobacterium tuberculosis]]~~	+
-	~~[[Category: Peptidoglycan]]~~	+
-	~~[[Category: Transpeptidase~~]]	+

OCA at 08:57, 29 September 2021

2021-09-29T08:57:39Z

←Older revision		Revision as of 08:57, 29 September 2021
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	==LppS with covalent adduct derived from 1E==		==LppS with covalent adduct derived from 1E==
-	<StructureSection load='7a11' size='340' side='right'caption='[[7a11]]' scene=''>	+	<StructureSection load='7a11' size='340' side='right'caption='[[7a11]], [[Resolution\|resolution]] 1.65Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7A11 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7A11 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7a11]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7A11 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7A11 FirstGlance]. <br>
-	</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=7a11 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a11 OCA], [https://pdbe.org/7a11 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7a11 RCSB], [https://www.ebi.ac.uk/pdbsum/7a11 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7a11 ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=XL3:PROPANE-1-THIOL'>XL3</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[7a0z\|7a0z]], [[7a10\|7a10]]</div></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ldtB, lppS, Rv2518c, RVBD_2518c, P425_02624 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83332 MYCTU])</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=7a11 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a11 OCA], [https://pdbe.org/7a11 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7a11 RCSB], [https://www.ebi.ac.uk/pdbsum/7a11 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7a11 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/LDT2_MYCTU LDT2_MYCTU]] Generates 3->3 cross-links in peptidoglycan, catalyzing the cleavage of the mDap(3)-D-Ala(4) bond of a tetrapeptide donor stem and the formation of a bond between the carbonyl of mDap(3) of the donor stem and the side chain of mDap(3) of the acceptor stem. Is specific for donor substrates containing a stem tetrapeptide since it cannot use pentapeptide stems.<ref>PMID:24041897</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Effective treatment of tuberculosis is frequently hindered by the emerging antimicrobial resistance of Mycobacterium tuberculosis. The present study evaluates monocyclic beta-lactam compounds targeting the mycobacterial cell wall remodeling. Novel N-thio-beta-lactams were designed, synthesized, and characterized on the L,D-transpeptidase-2, a validated target in M. tuberculosis. The candidates were evaluated in biochemical assays identifying five compounds presenting target-specific kinetic constants equal or superior to meropenem, a carbapenem currently considered for tuberculosis therapy. Mass spectrometry in line with the crystal structures of five target-ligand complexes revealed that the N-thio-beta-lactams act via an unconventional mode of adduct formation, transferring the thio-residues from the lactam ring to the active-site cysteine of LdtMt2. The resulting stable adducts lead to a long-term inactivation of the target protein. Finally, the candidates were evaluated in vitro against a drug-susceptible and multidrug-resistant clinical isolates of M. tuberculosis, confirming the antimycobacterial effect of these novel compounds.
		+
		+	N-Thio-beta-lactams targeting L,D-transpeptidase-2, with activity against drug-resistant strains of Mycobacterium tuberculosis.,Martelli G, Pessatti TB, Steiner EM, Cirillo M, Caso C, Bisognin F, Landreh M, Monte PD, Giacomini D, Schnell R Cell Chem Biol. 2021 Mar 30. pii: S2451-9456(21)00147-1. doi:, 10.1016/j.chembiol.2021.03.008. PMID:33826941<ref>PMID:33826941</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7a11" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Schnell R]]	+	[[Category: Myctu]]
-	[[Category: Steiner EM]]	+	[[Category: Schnell, R]]
		+	[[Category: Steiner, E M]]
		+	[[Category: Antibiotic]]
		+	[[Category: Beta-lactam]]
		+	[[Category: Cell wall]]
		+	[[Category: Covalent inhibitor]]
		+	[[Category: Ligase]]
		+	[[Category: Mycobacterium tuberculosis]]
		+	[[Category: Peptidoglycan]]
		+	[[Category: Transpeptidase]]

OCA at 08:21, 21 April 2021

2021-04-21T08:21:13Z

←Older revision		Revision as of 08:21, 21 April 2021
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-	'''Unreleased structure'''

-	~~The entry~~ 7a11 ~~is ON HOLD until Paper Publication~~	+	==LppS with covalent adduct derived from 1E==
-		+	<StructureSection load='7a11' size='340' side='right'caption='[[7a11]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7A11 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7A11 FirstGlance]. <br>
-	~~Description~~:	+	</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=7a11 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7a11 OCA], [https://pdbe.org/7a11 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7a11 RCSB], [https://www.ebi.ac.uk/pdbsum/7a11 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7a11 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Schnell R]]
		+	[[Category: Steiner EM]]

OCA at 05:11, 30 December 2020

2020-12-30T05:11:45Z

←Older revision		Revision as of 05:11, 30 December 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7a11 is ON HOLD	+	The entry 7a11 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA at 07:32, 24 December 2020

2020-12-24T07:32:36Z

←Older revision		Revision as of 07:32, 24 December 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7a11 is ON HOLD ~~until Paper Publication~~	+	The entry 7a11 is ON HOLD

	Authors:		Authors:

OCA at 05:01, 2 September 2020

2020-09-02T05:01:15Z

←Older revision		Revision as of 05:01, 2 September 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7a11 is ON HOLD	+	The entry 7a11 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7a11" [edit=sysop:move=sysop]

2020-08-19T04:38:05Z

Protected "7a11" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:38, 19 August 2020

OCA: New page: '''Unreleased structure''' The entry 7a11 is ON HOLD Authors: Description: Category: Unreleased Structures

2020-08-19T04:38:04Z

New page: '''Unreleased structure''' The entry 7a11 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7a11 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]