6fz5 - Revision history

OCA at 12:32, 9 May 2024

OCA — Thu, 09 May 2024 12:32:05 GMT

←Older revision		Revision as of 12:32, 9 May 2024
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	<StructureSection load='6fz5' size='340' side='right'caption='[[6fz5]], [[Resolution\|resolution]] 1.89Å' scene=''>		<StructureSection load='6fz5' size='340' side='right'caption='[[6fz5]], [[Resolution\|resolution]] 1.89Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6fz5]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6FZ5 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6FZ5 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6fz5]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6FZ5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6FZ5 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BXN:4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide'>BXN</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MYA:TETRADECANOYL-COA'>MYA</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]] 1.89Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4c2z\|4c2z]], [[3iu1\|3iu1]], [[3iu2\|3iu2]], [[3iwe\|3iwe]], [[6fz3\|6fz3]], [[6fz2\|6fz2]]</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BXN:4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide'>BXN</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MYA:TETRADECANOYL-COA'>MYA</scene></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">NMT1, NMT ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=6fz5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6fz5 OCA], [https://pdbe.org/6fz5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6fz5 RCSB], [https://www.ebi.ac.uk/pdbsum/6fz5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6fz5 ProSAT]</span></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glycylpeptide_N-tetradecanoyltransferase Glycylpeptide N-tetradecanoyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.97 2.3.1.97] </span></td></tr>	+
-	<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=6fz5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6fz5 OCA], [~~http~~://pdbe.org/6fz5 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6fz5 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6fz5 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6fz5 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/NMT1_HUMAN NMT1_HUMAN]] Adds a myristoyl group to the N-terminal glycine residue of certain cellular and viral proteins.	+	[https://www.uniprot.org/uniprot/NMT1_HUMAN NMT1_HUMAN] Adds a myristoyl group to the N-terminal glycine residue of certain cellular and viral proteins.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Glycylpeptide N-tetradecanoyltransferase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Brenk, R]]	+	[[Category: Brenk R]]
-	[[Category: Kersten~~, F C]]~~	+	[[Category: Kersten FC]]
-	~~[[Category: Protein-ligand complex]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 15:54, 28 August 2019

OCA — Wed, 28 Aug 2019 15:54:06 GMT

←Older revision		Revision as of 15:54, 28 August 2019
Line 3:		Line 3:
	<StructureSection load='6fz5' size='340' side='right'caption='[[6fz5]], [[Resolution\|resolution]] 1.89Å' scene=''>		<StructureSection load='6fz5' size='340' side='right'caption='[[6fz5]], [[Resolution\|resolution]] 1.89Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6fz5]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6FZ5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6FZ5 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6fz5]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6FZ5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6FZ5 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BXN:4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide'>BXN</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MYA:TETRADECANOYL-COA'>MYA</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BXN:4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide'>BXN</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MYA:TETRADECANOYL-COA'>MYA</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4c2z\|4c2z]], [[3iu1\|3iu1]], [[3iu2\|3iu2]], [[3iwe\|3iwe]], [[6fz3\|6fz3]], [[6fz2\|6fz2]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4c2z\|4c2z]], [[3iu1\|3iu1]], [[3iu2\|3iu2]], [[3iwe\|3iwe]], [[6fz3\|6fz3]], [[6fz2\|6fz2]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">NMT1, NMT ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glycylpeptide_N-tetradecanoyltransferase Glycylpeptide N-tetradecanoyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.97 2.3.1.97] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glycylpeptide_N-tetradecanoyltransferase Glycylpeptide N-tetradecanoyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.97 2.3.1.97] </span></td></tr>
	<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=6fz5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6fz5 OCA], [http://pdbe.org/6fz5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6fz5 RCSB], [http://www.ebi.ac.uk/pdbsum/6fz5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6fz5 ProSAT]</span></td></tr>		<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=6fz5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6fz5 OCA], [http://pdbe.org/6fz5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6fz5 RCSB], [http://www.ebi.ac.uk/pdbsum/6fz5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6fz5 ProSAT]</span></td></tr>
Line 11:		Line 12:
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/NMT1_HUMAN NMT1_HUMAN]] Adds a myristoyl group to the N-terminal glycine residue of certain cellular and viral proteins.		[[http://www.uniprot.org/uniprot/NMT1_HUMAN NMT1_HUMAN]] Adds a myristoyl group to the N-terminal glycine residue of certain cellular and viral proteins.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	A model system of two related enzymes with conserved binding sites, namely N-myristoyltransferase from two different organisms, was studied to decipher the driving forces that lead to selective inhibition in such cases. Using a combination of computational and experimental tools, two different selectivity-determining features were identified. For some ligands, a change in side-chain flexibility appears to be responsible for selective inhibition. Remarkably, this was observed for residues orienting their side chains away from the ligands. For other ligands, selectivity is caused by interfering with a water molecule that binds more strongly to the off-target than to the target. On the basis of this finding, a virtual screen for selective compounds was conducted, resulting in three hit compounds with the desired selectivity profile. This study delivers a guideline on how to assess selectivity-determining features in proteins with conserved binding sites and to translate this knowledge into the design of selective inhibitors.
		+
		+	How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study Using N-Myristoyltransferases as a Model System.,Kersten C, Fleischer E, Kehrein J, Borek C, Jaenicke E, Sotriffer C, Brenk R J Med Chem. 2019 Aug 19. doi: 10.1021/acs.jmedchem.9b00586. PMID:31423787<ref>PMID:31423787</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6fz5" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Glycylpeptide N-tetradecanoyltransferase]]		[[Category: Glycylpeptide N-tetradecanoyltransferase]]
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Brenk, R]]		[[Category: Brenk, R]]

OCA at 06:35, 27 March 2019

OCA — Wed, 27 Mar 2019 06:35:04 GMT

←Older revision		Revision as of 06:35, 27 March 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6fz5 is ~~ON HOLD~~	+	==Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound==
-		+	<StructureSection load='6fz5' size='340' side='right'caption='[[6fz5]], [[Resolution\|resolution]] 1.89Å' scene=''>
-	~~Authors~~: ~~Kersten~~, F.C., ~~Brenk~~, R.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6fz5]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6FZ5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6FZ5 FirstGlance]. <br>
-	~~Description~~: ~~Human~~ N-~~myristoyltransferase (NMT1) with Myristoyl-CoA~~ and ~~inhibitor bound~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BXN:4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide'>BXN</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MYA:TETRADECANOYL-COA'>MYA</scene></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4c2z\|4c2z]], [[3iu1\|3iu1]], [[3iu2\|3iu2]], [[3iwe\|3iwe]], [[6fz3\|6fz3]], [[6fz2\|6fz2]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glycylpeptide_N-tetradecanoyltransferase Glycylpeptide N-tetradecanoyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.97 2.3.1.97] </span></td></tr>
		+	<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=6fz5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6fz5 OCA], [http://pdbe.org/6fz5 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6fz5 RCSB], [http://www.ebi.ac.uk/pdbsum/6fz5 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6fz5 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/NMT1_HUMAN NMT1_HUMAN]] Adds a myristoyl group to the N-terminal glycine residue of certain cellular and viral proteins.
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Glycylpeptide N-tetradecanoyltransferase]]
		+	[[Category: Large Structures]]
	[[Category: Brenk, R]]		[[Category: Brenk, R]]
-	[[Category: Kersten, F.C]]	+	[[Category: Kersten, F C]]
		+	[[Category: Protein-ligand complex]]
		+	[[Category: Transferase]]

OCA: Protected "6fz5" [edit=sysop:move=sysop]

OCA — Wed, 21 Mar 2018 06:22:30 GMT

Protected "6fz5" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:22, 21 March 2018

OCA: New page: '''Unreleased structure''' The entry 6fz5 is ON HOLD Authors: Kersten, F.C., Brenk, R. Description: Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound [[Categor...

OCA — Wed, 21 Mar 2018 06:22:28 GMT

New page: '''Unreleased structure''' The entry 6fz5 is ON HOLD Authors: Kersten, F.C., Brenk, R. Description: Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound [[Categor...

New page

'''Unreleased structure'''

The entry 6fz5 is ON HOLD

Authors: Kersten, F.C., Brenk, R.

Description: Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound
[[Category: Unreleased Structures]]
[[Category: Brenk, R]]
[[Category: Kersten, F.C]]