5etq - Revision history

OCA at 08:23, 12 July 2023

OCA — Wed, 12 Jul 2023 08:23:24 GMT

←Older revision		Revision as of 08:23, 12 July 2023
Line 3:		Line 3:
	<StructureSection load='5etq' size='340' side='right'caption='[[5etq]], [[Resolution\|resolution]] 1.96Å' scene=''>		<StructureSection load='5etq' size='340' side='right'caption='[[5etq]], [[Resolution\|resolution]] 1.96Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5etq]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus~~ aureus~~" (rosenbach 1884) zopf 1885~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ETQ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5ETQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5etq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ETQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ETQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=APC:DIPHOSPHOMETHYLPHOSPHONIC+ACID+ADENOSYL+ESTER'>APC</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=YH2:4-{[(2-AMINO-6-OXO-6,9-DIHYDRO-1H-PURIN-8-YL)SULFANYL]METHYL}BENZONITRILE'>YH2</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]] 1.96Å</td></tr>
-	~~<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene></td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=APC:DIPHOSPHOMETHYLPHOSPHONIC+ACID+ADENOSYL+ESTER'>APC</scene>, <scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=YH2:4-{[(2-AMINO-6-OXO-6,9-DIHYDRO-1H-PURIN-8-YL)SULFANYL]METHYL}BENZONITRILE'>YH2</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4m5h\|4m5h]], [[5etk\|5etk]], [[5etl\|5etl]], [[5etm\|5etm]], [[5etn\|5etn]], [[5eto\|5eto]], [[5etp\|5etp]], [[5etr\|5etr]], [[5ets\|5ets]], [[5ett\|5ett]], [[5etv\|5etv]]</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=5etq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5etq OCA], [https://pdbe.org/5etq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5etq RCSB], [https://www.ebi.ac.uk/pdbsum/5etq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5etq ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">RK60_02090, RK67_01645, RK72_06915, RK74_04210, RK75_00240, RK80_01970, RK83_05435, RK84_03130, RK95_04415, RK96_04825, RK98_03440, RK99_07885, RL05_10010, RL06_09555, RL08_05305, TM59_02255 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 "Micrococcus aureus" (Rosenbach 1884) Zopf 1885])</td></tr>	+
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=5etq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5etq OCA], [~~http~~://pdbe.org/5etq PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5etq RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5etq PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5etq ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q2G0Q5_STAA8 Q2G0Q5_STAA8]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 27:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Dennis, M L~~]]	+	[[Category: Staphylococcus aureus]]
-	[[Category: ~~Peat, T S~~]]	+	[[Category: Dennis ML]]
-	[[Category: ~~Swarbrick, J D~~]]	+	[[Category: Peat TS]]
-	[[Category: ~~Ampcpp]]~~	+	[[Category: Swarbrick JD]]
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Pyrophosphokinase]]~~	+
-	~~[[Category: Transferase-transferase inhibitor complex~~]]	+

OCA at 07:43, 29 April 2020

OCA — Wed, 29 Apr 2020 07:43:58 GMT

←Older revision		Revision as of 07:43, 29 April 2020
Line 1:		Line 1:

	==S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.96 angstrom resolution==		==S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.96 angstrom resolution==
-	<StructureSection load='5etq' size='340' side='right' caption='[[5etq]], [[Resolution\|resolution]] 1.96Å' scene=''>	+	<StructureSection load='5etq' size='340' side='right'caption='[[5etq]], [[Resolution\|resolution]] 1.96Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5etq]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ETQ OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5ETQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5etq]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"micrococcus_aureus"_(rosenbach_1884)_zopf_1885 "micrococcus aureus" (rosenbach 1884) zopf 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ETQ OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5ETQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=APC:DIPHOSPHOMETHYLPHOSPHONIC+ACID+ADENOSYL+ESTER'>APC</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=YH2:4-{[(2-AMINO-6-OXO-6,9-DIHYDRO-1H-PURIN-8-YL)SULFANYL]METHYL}BENZONITRILE'>YH2</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=APC:DIPHOSPHOMETHYLPHOSPHONIC+ACID+ADENOSYL+ESTER'>APC</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=YH2:4-{[(2-AMINO-6-OXO-6,9-DIHYDRO-1H-PURIN-8-YL)SULFANYL]METHYL}BENZONITRILE'>YH2</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4m5h\|4m5h]], [[5etk\|5etk]], [[5etl\|5etl]], [[5etm\|5etm]], [[5etn\|5etn]], [[5eto\|5eto]], [[5etp\|5etp]], [[5etr\|5etr]], [[5ets\|5ets]], [[5ett\|5ett]], [[5etv\|5etv]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4m5h\|4m5h]], [[5etk\|5etk]], [[5etl\|5etl]], [[5etm\|5etm]], [[5etn\|5etn]], [[5eto\|5eto]], [[5etp\|5etp]], [[5etr\|5etr]], [[5ets\|5ets]], [[5ett\|5ett]], [[5etv\|5etv]]</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=5etq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5etq OCA], [http://pdbe.org/5etq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5etq RCSB], [http://www.ebi.ac.uk/pdbsum/5etq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5etq ProSAT]</span></td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">RK60_02090, RK67_01645, RK72_06915, RK74_04210, RK75_00240, RK80_01970, RK83_05435, RK84_03130, RK95_04415, RK96_04825, RK98_03440, RK99_07885, RL05_10010, RL06_09555, RL08_05305, TM59_02255 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 "Micrococcus aureus" (Rosenbach 1884) Zopf 1885])</td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5etq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5etq OCA], [http://pdbe.org/5etq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5etq RCSB], [http://www.ebi.ac.uk/pdbsum/5etq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5etq ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 18:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 5etq" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5etq" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[HPPK 3D structures\|HPPK 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Dennis, M L]]		[[Category: Dennis, M L]]
	[[Category: Peat, T S]]		[[Category: Peat, T S]]

OCA at 02:35, 13 July 2016

OCA — Wed, 13 Jul 2016 02:35:41 GMT

←Older revision		Revision as of 02:35, 13 July 2016
Line 7:		Line 7:
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4m5h\|4m5h]], [[5etk\|5etk]], [[5etl\|5etl]], [[5etm\|5etm]], [[5etn\|5etn]], [[5eto\|5eto]], [[5etp\|5etp]], [[5etr\|5etr]], [[5ets\|5ets]], [[5ett\|5ett]], [[5etv\|5etv]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4m5h\|4m5h]], [[5etk\|5etk]], [[5etl\|5etl]], [[5etm\|5etm]], [[5etn\|5etn]], [[5eto\|5eto]], [[5etp\|5etp]], [[5etr\|5etr]], [[5ets\|5ets]], [[5ett\|5ett]], [[5etv\|5etv]]</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=5etq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5etq OCA], [http://pdbe.org/5etq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5etq RCSB], [http://www.ebi.ac.uk/pdbsum/5etq 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=5etq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5etq OCA], [http://pdbe.org/5etq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5etq RCSB], [http://www.ebi.ac.uk/pdbsum/5etq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5etq ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 03:31, 11 May 2016

OCA — Wed, 11 May 2016 03:31:07 GMT

←Older revision		Revision as of 03:31, 11 May 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5etq is ~~ON HOLD until Paper~~ Publication	+	==S. aureus 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase complexed with AMPCPP and inhibitor at 1.96 angstrom resolution==
		+	<StructureSection load='5etq' size='340' side='right' caption='[[5etq]], [[Resolution\|resolution]] 1.96Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5etq]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ETQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ETQ FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=APC:DIPHOSPHOMETHYLPHOSPHONIC+ACID+ADENOSYL+ESTER'>APC</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=YH2:4-{[(2-AMINO-6-OXO-6,9-DIHYDRO-1H-PURIN-8-YL)SULFANYL]METHYL}BENZONITRILE'>YH2</scene></td></tr>
		+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4m5h\|4m5h]], [[5etk\|5etk]], [[5etl\|5etl]], [[5etm\|5etm]], [[5etn\|5etn]], [[5eto\|5eto]], [[5etp\|5etp]], [[5etr\|5etr]], [[5ets\|5ets]], [[5ett\|5ett]], [[5etv\|5etv]]</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=5etq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5etq OCA], [http://pdbe.org/5etq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5etq RCSB], [http://www.ebi.ac.uk/pdbsum/5etq PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	6-Hydroxymethyl-7,8-dihydropterin pyrophosphokinase (HPPK) is a member of the folate biosynthesis pathway found in prokaryotes and lower eukaryotes that catalyzes the pyrophosphoryl transfer from the ATP cofactor to a 6-hydroxymethyl-7,8-dihydropterin substrate. We report the chemical synthesis of a series of S-functionalized 8-mercaptoguanine (8MG) analogues as substrate site inhibitors of HPPK and quantify binding against the E. coli and S. aureus enzymes (EcHPPK and SaHPPK). The results demonstrate that analogues incorporating acetophenone-based substituents have comparable affinities for both enzymes. Preferential binding of benzyl-substituted 8MG derivatives to SaHPPK was reconciled when a cryptic pocket unique to SaHPPK was revealed by X-ray crystallography. Differential chemical shift perturbation analysis confirmed this to be a common mode of binding for this series to SaHPPK. One compound (41) displayed binding affinities of 120 nM and 1.76 muM for SaHPPK and EcHPPK, respectively, and represents a lead for the development of more potent and selective inhibitors of SaHPPK.

-	~~Authors: Dennis~~, ~~M.L~~., Peat, ~~T.S.~~, Swarbrick, J.D.	+	Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli.,Dennis ML, Pitcher NP, Lee MD, DeBono AJ, Wang ZC, Harjani JR, Rahmani R, Cleary B, Peat TS, Baell JB, Swarbrick JD J Med Chem. 2016 Apr 26. PMID:27094768<ref>PMID:27094768</ref>

-	~~Description:~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	[[Category: Dennis, M.L]]	+	<div class="pdbe-citations 5etq" style="background-color:#fffaf0;"></div>
-	[[Category: Peat, T.S]]	+	== References ==
-	[[Category: Swarbrick, J.D]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Dennis, M L]]
		+	[[Category: Peat, T S]]
		+	[[Category: Swarbrick, J D]]
		+	[[Category: Ampcpp]]
		+	[[Category: Complex]]
		+	[[Category: Inhibitor]]
		+	[[Category: Pyrophosphokinase]]
		+	[[Category: Transferase-transferase inhibitor complex]]

OCA at 15:00, 2 December 2015

OCA — Wed, 02 Dec 2015 15:00:04 GMT

←Older revision		Revision as of 15:00, 2 December 2015
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5etq is ON HOLD	+	The entry 5etq is ON HOLD until Paper Publication

	Authors: Dennis, M.L., Peat, T.S., Swarbrick, J.D.		Authors: Dennis, M.L., Peat, T.S., Swarbrick, J.D.

OCA: Protected "5etq" [edit=sysop:move=sysop]

OCA — Tue, 01 Dec 2015 03:21:31 GMT

Protected "5etq" [edit=sysop:move=sysop]

←Older revision

Revision as of 03:21, 1 December 2015

OCA: New page: '''Unreleased structure''' The entry 5etq is ON HOLD Authors: Dennis, M.L., Peat, T.S., Swarbrick, J.D. Description: Category: Unreleased Structures Category: Dennis, M.L [[Ca...

OCA — Tue, 01 Dec 2015 03:21:30 GMT

New page: '''Unreleased structure''' The entry 5etq is ON HOLD Authors: Dennis, M.L., Peat, T.S., Swarbrick, J.D. Description: Category: Unreleased Structures Category: Dennis, M.L [[Ca...

New page

'''Unreleased structure'''

The entry 5etq is ON HOLD

Authors: Dennis, M.L., Peat, T.S., Swarbrick, J.D.

Description:
[[Category: Unreleased Structures]]
[[Category: Dennis, M.L]]
[[Category: Peat, T.S]]
[[Category: Swarbrick, J.D]]