4bnf - Revision history

OCA at 11:55, 20 December 2023

OCA — Wed, 20 Dec 2023 11:55:16 GMT

←Older revision		Revision as of 11:55, 20 December 2023
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	<StructureSection load='4bnf' size='340' side='right'caption='[[4bnf]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='4bnf' size='340' side='right'caption='[[4bnf]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bnf]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Staan Staan~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BNF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BNF FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4bnf]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus_subsp._aureus_N315 Staphylococcus aureus subsp. aureus N315]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BNF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BNF FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=GLU:GLUTAMIC+ACID'>GLU</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE~~-~~ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>~~, ~~<scene name='pdbligand=PV4:~~2~~-PHENOXY-5-PROPYL-PHENOL'>PV4</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]] 2.3Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><~~div style~~='~~overflow~~: ~~auto; max-height: 3em;~~'>~~[[4bng\|4bng]], [[4bnh\|4bnh]], [[4bni\|4bni]], [[4bnj\|4bnj]], [[4bnk\|4bnk]], [[4bnl\|4bnl]], [[4bnm\|4bnm]], [[4bnn\|4bnn]]~~</~~div~~><~~/td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GLU:GLUTAMIC+ACID'>GLU</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=PV4:2-PHENOXY-5-PROPYL-PHENOL'>PV4</scene></td></tr>
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[https~~:~~//en.wikipedia.org/wiki/Enoyl~~-~~[acyl~~-~~carrier~~-~~protein]_reductase_(NADPH,_B~~-~~specific) Enoyl-[acyl-carrier-protein] reductase (NADPH, B-specific)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.10 1.3.1.10]~~ </~~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=4bnf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bnf OCA], [https://pdbe.org/4bnf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bnf RCSB], [https://www.ebi.ac.uk/pdbsum/4bnf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bnf 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=4bnf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bnf OCA], [https://pdbe.org/4bnf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bnf RCSB], [https://www.ebi.ac.uk/pdbsum/4bnf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bnf ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A0H3JLH9_STAAN A0A0H3JLH9_STAAN]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 26:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Staan~~]]	+	[[Category: Staphylococcus aureus subsp. aureus N315]]
-	[[Category: Bommineni~~, G R~~]]	+	[[Category: Bommineni GR]]
-	[[Category: Chang, A]]	+	[[Category: Chang A]]
-	[[Category: Kisker, C]]	+	[[Category: Kisker C]]
-	[[Category: Schiebel, J]]	+	[[Category: Schiebel J]]
-	[[Category: Tonge~~, P J]]~~	+	[[Category: Tonge PJ]]
-	~~[[Category: Fatty acid biosynthesis]]~~	+
-	~~[[Category: Lipid synthesis]]~~	+
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Safabi]]~~	+
-	~~[[Category: Short-chain dehydrogenase/reductase superfamily~~]]	+

OCA at 07:19, 31 August 2022

OCA — Wed, 31 Aug 2022 07:19:20 GMT

←Older revision		Revision as of 07:19, 31 August 2022
Line 3:		Line 3:
	<StructureSection load='4bnf' size='340' side='right'caption='[[4bnf]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='4bnf' size='340' side='right'caption='[[4bnf]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bnf]] is a 8 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Staan Staan]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BNF OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4BNF FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4bnf]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Staan Staan]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BNF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BNF FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GLU:GLUTAMIC+ACID'>GLU</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=PV4:2-PHENOXY-5-PROPYL-PHENOL'>PV4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GLU:GLUTAMIC+ACID'>GLU</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=PV4:2-PHENOXY-5-PROPYL-PHENOL'>PV4</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bng\|4bng]], [[4bnh\|4bnh]], [[4bni\|4bni]], [[4bnj\|4bnj]], [[4bnk\|4bnk]], [[4bnl\|4bnl]], [[4bnm\|4bnm]], [[4bnn\|4bnn]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[4bng\|4bng]], [[4bnh\|4bnh]], [[4bni\|4bni]], [[4bnj\|4bnj]], [[4bnk\|4bnk]], [[4bnl\|4bnl]], [[4bnm\|4bnm]], [[4bnn\|4bnn]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADPH,_B-specific) Enoyl-[acyl-carrier-protein] reductase (NADPH, B-specific)], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.10 1.3.1.10] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADPH,_B-specific) Enoyl-[acyl-carrier-protein] reductase (NADPH, B-specific)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.10 1.3.1.10] </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=4bnf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bnf OCA], [~~http~~://pdbe.org/4bnf PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4bnf RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4bnf PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4bnf 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=4bnf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bnf OCA], [https://pdbe.org/4bnf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bnf RCSB], [https://www.ebi.ac.uk/pdbsum/4bnf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bnf ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 20:		Line 20:

	==See Also==		==See Also==
-	*[[Enoyl-Acyl-Carrier Protein Reductase\|Enoyl-Acyl-Carrier Protein Reductase]]	+	*[[Enoyl-Acyl-Carrier Protein Reductase 3D structures\|Enoyl-Acyl-Carrier Protein Reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 13:57, 13 March 2019

OCA — Wed, 13 Mar 2019 13:57:41 GMT

←Older revision		Revision as of 13:57, 13 March 2019
Line 1:		Line 1:

	==Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-propylphenol==		==Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-propylphenol==
-	<StructureSection load='4bnf' size='340' side='right' caption='[[4bnf]], [[Resolution\|resolution]] 2.30Å' scene=''>	+	<StructureSection load='4bnf' size='340' side='right'caption='[[4bnf]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4bnf]] is a 8 chain structure with sequence from [http://en.wikipedia.org/wiki/Staan Staan]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BNF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BNF FirstGlance]. <br>		<table><tr><td colspan='2'>[[4bnf]] is a 8 chain structure with sequence from [http://en.wikipedia.org/wiki/Staan Staan]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BNF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BNF FirstGlance]. <br>
Line 25:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Staan]]		[[Category: Staan]]
	[[Category: Bommineni, G R]]		[[Category: Bommineni, G R]]

OCA at 20:23, 11 August 2016

OCA — Thu, 11 Aug 2016 20:23:52 GMT

←Older revision		Revision as of 20:23, 11 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-propylphenol==		==Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-propylphenol==
	<StructureSection load='4bnf' size='340' side='right' caption='[[4bnf]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='4bnf' size='340' side='right' caption='[[4bnf]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4bnf]] is a 8 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Staphylococcus_aureus_subsp._aureus_n315 Staphylococcus aureus subsp. aureus n315~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BNF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BNF FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4bnf]] is a 8 chain structure with sequence from [http://en.wikipedia.org/wiki/Staan Staan]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BNF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BNF FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GLU:GLUTAMIC+ACID'>GLU</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=PV4:2-PHENOXY-5-PROPYL-PHENOL'>PV4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GLU:GLUTAMIC+ACID'>GLU</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=PV4:2-PHENOXY-5-PROPYL-PHENOL'>PV4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bng\|4bng]], [[4bnh\|4bnh]], [[4bni\|4bni]], [[4bnj\|4bnj]], [[4bnk\|4bnk]], [[4bnl\|4bnl]], [[4bnm\|4bnm]], [[4bnn\|4bnn]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bng\|4bng]], [[4bnh\|4bnh]], [[4bni\|4bni]], [[4bnj\|4bnj]], [[4bnk\|4bnk]], [[4bnl\|4bnl]], [[4bnm\|4bnm]], [[4bnn\|4bnn]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADPH,_B-specific) Enoyl-[acyl-carrier-protein] reductase (NADPH, B-specific)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.10 1.3.1.10] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADPH,_B-specific) Enoyl-[acyl-carrier-protein] reductase (NADPH, B-specific)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.10 1.3.1.10] </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=4bnf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bnf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bnf RCSB], [http://www.ebi.ac.uk/pdbsum/4bnf PDBsum]</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=4bnf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bnf OCA], [http://pdbe.org/4bnf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4bnf RCSB], [http://www.ebi.ac.uk/pdbsum/4bnf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4bnf ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 16:		Line 17:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 4bnf" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 23:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Staphylococcus aureus subsp. aureus n315~~]]	+	[[Category: Staan]]
	[[Category: Bommineni, G R]]		[[Category: Bommineni, G R]]
	[[Category: Chang, A]]		[[Category: Chang, A]]

OCA at 13:23, 4 January 2015

OCA — Sun, 04 Jan 2015 13:23:56 GMT

←Older revision		Revision as of 13:23, 4 January 2015
Line 1:		Line 1:
-	~~{{STRUCTURE_4bnf\| PDB=4bnf \| SCENE= }}~~	+	==Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-propylphenol==
-	===Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-propylphenol===	+	<StructureSection load='4bnf' size='340' side='right' caption='[[4bnf]], [[Resolution\|resolution]] 2.30Å' scene=''>
-	~~{{ABSTRACT_PUBMED_23697754}}~~	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4bnf]] is a 8 chain structure with sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus_subsp._aureus_n315 Staphylococcus aureus subsp. aureus n315]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BNF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BNF FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GLU:GLUTAMIC+ACID'>GLU</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=PV4:2-PHENOXY-5-PROPYL-PHENOL'>PV4</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4bng\|4bng]], [[4bnh\|4bnh]], [[4bni\|4bni]], [[4bnj\|4bnj]], [[4bnk\|4bnk]], [[4bnl\|4bnl]], [[4bnm\|4bnm]], [[4bnn\|4bnn]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADPH,_B-specific) Enoyl-[acyl-carrier-protein] reductase (NADPH, B-specific)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.10 1.3.1.10] </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=4bnf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bnf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bnf RCSB], [http://www.ebi.ac.uk/pdbsum/4bnf PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Drug-target kinetics has recently emerged as an especially important facet of the drug discovery process. In particular, prolonged drug-target residence times may confer enhanced efficacy and selectivity in the open in vivo system. However, the lack of accurate kinetic and structural data for series of congeneric compounds hinders the rational design of inhibitors with decreased off-rates. Therefore, we chose the Staphylococcus aureus enoyl-ACP reductase (saFabI) - an important target for the development of new anti-staphylococcal drugs - as a model system to rationalize and optimize the drug-target residence time on a structural basis. Using our new, efficient and widely applicable mechanistically informed kinetic approach, we obtained a full characterization of saFabI inhibition by a series of 20 diphenyl ethers complemented by a collection of 9 saFabI-inhibitor crystal structures. We identified a strong correlation between the affinities of the investigated saFabI diphenyl ether inhibitors and their corresponding residence times, which can be rationalized on a structural basis. Due to its favorable interactions with the enzyme, the residence time of our most potent compound exceeds 10 hours. In addition, we found that affinity and residence time in this system can be significantly enhanced by modifications predictable by a careful consideration of catalysis. Our study provides a blueprint for investigating and prolonging drug-target kinetics and may aid in the rational design of long-residence-time inhibitors targeting the essential saFabI enzyme.

-	~~==About this Structure==~~	+	Rational optimization of drug-target residence time: Insights from inhibitor binding to the S. aureus FabI enzyme-product complex.,Chang A, Schiebel J, Yu W, Bommineni GR, Pan P, Baxter MV, Khanna A, Sotriffer CA, Kisker CF, Tonge PJ Biochemistry. 2013 May 22. PMID:23697754<ref>PMID:23697754</ref>
-	~~[[4bnf]] is a 8 chain structure with sequence~~ from ~~[http://en~~.~~wikipedia~~.~~org/wiki/Staphylococcus_aureus_subsp~~.~~_aureus_n315 Staphylococcus aureus subsp~~. ~~aureus n315]. Full crystallographic information is available from [http~~:/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=4BNF OCA].~~	+

-	==~~Reference~~==	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~<ref group~~=~~"xtra">PMID:023697754</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	</div>
		+
		+	==See Also==
		+	*[[Enoyl-Acyl-Carrier Protein Reductase\|Enoyl-Acyl-Carrier Protein Reductase]]
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Staphylococcus aureus subsp. aureus n315]]		[[Category: Staphylococcus aureus subsp. aureus n315]]
-	[[Category: Bommineni, G R.]]	+	[[Category: Bommineni, G R]]
-	[[Category: Chang, A.]]	+	[[Category: Chang, A]]
-	[[Category: Kisker, C.]]	+	[[Category: Kisker, C]]
-	[[Category: Schiebel, J.]]	+	[[Category: Schiebel, J]]
-	[[Category: Tonge, P J.]]	+	[[Category: Tonge, P J]]
	[[Category: Fatty acid biosynthesis]]		[[Category: Fatty acid biosynthesis]]
	[[Category: Lipid synthesis]]		[[Category: Lipid synthesis]]

OCA: Protected "4bnf" [edit=sysop:move=sysop]

OCA — Wed, 19 Jun 2013 15:01:45 GMT

Protected "4bnf" [edit=sysop:move=sysop]

←Older revision

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OCA: New page: {{STRUCTURE_4bnf| PDB=4bnf | SCENE= }} ===Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-propylphenol=== {{ABSTRACT_PUBMED_23697754}} ==About this Structur...

OCA — Wed, 19 Jun 2013 15:01:43 GMT

New page: {{STRUCTURE_4bnf| PDB=4bnf | SCENE= }} ===Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-propylphenol=== {{ABSTRACT_PUBMED_23697754}} ==About this Structur...

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{{STRUCTURE_4bnf| PDB=4bnf | SCENE= }}
===Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-propylphenol===
{{ABSTRACT_PUBMED_23697754}}

==About this Structure==
[[4bnf]] is a 8 chain structure with sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus_subsp._aureus_n315 Staphylococcus aureus subsp. aureus n315]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BNF OCA].

==Reference==
<ref group="xtra">PMID:023697754</ref><references group="xtra"/><references/>
[[Category: Staphylococcus aureus subsp. aureus n315]]
[[Category: Bommineni, G R.]]
[[Category: Chang, A.]]
[[Category: Kisker, C.]]
[[Category: Schiebel, J.]]
[[Category: Tonge, P J.]]
[[Category: Fatty acid biosynthesis]]
[[Category: Lipid synthesis]]
[[Category: Oxidoreductase]]
[[Category: Safabi]]
[[Category: Short-chain dehydrogenase/reductase superfamily]]