1rry - Revision history

OCA at 08:25, 14 February 2024

2024-02-14T08:25:14Z

←Older revision		Revision as of 08:25, 14 February 2024
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	<StructureSection load='1rry' size='340' side='right'caption='[[1rry]], [[Resolution\|resolution]] 2.70Å' scene=''>		<StructureSection load='1rry' size='340' side='right'caption='[[1rry]], [[Resolution\|resolution]] 2.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1rry]] is a 1 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=1RRY OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=1RRY FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1rry]] is a 1 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=1RRY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1RRY FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=204:2~~-~~AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC+ACID+ETHYL+ESTER'>204</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]] 2.7Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>~~[[~~Related_structure~~\|~~Related:~~]]~~</b></td><td class="sblockDat"><div style='overflow: auto~~; ~~max-height: 3em;'>[[1rrw\|1rrw]], [[1rri\|1rri]], [[1rr5\|1rr5]], [[1rs2\|1rs2]], [[1rs4\|1rs4]], [[1rsd\|1rsd]], [[1rsi\|1rsi]]</div>~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=204:2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC+ACID+ETHYL+ESTER'>204</scene></td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>FOLB ([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'>[https://proteopedia.org/fgij/fg.htm?mol=1rry FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rry OCA], [https://pdbe.org/1rry PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1rry RCSB], [https://www.ebi.ac.uk/pdbsum/1rry PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1rry 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/Dihydroneopterin_aldolase Dihydroneopterin aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.25 4.1.2.25]~~ </~~span~~></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=1rry FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rry OCA], [~~http~~://pdbe.org/1rry PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=1rry RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/1rry PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=1rry ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/FOLB_STAAU FOLB_STAAU]] Catalyzes the conversion of 7,8-dihydroneopterin to 6-hydroxymethyl-7,8-dihydropterin.	+	[https://www.uniprot.org/uniprot/FOLB_STAAU FOLB_STAAU] Catalyzes the conversion of 7,8-dihydroneopterin to 6-hydroxymethyl-7,8-dihydropterin.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1rry ConSurf].		</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1rry ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Potent inhibitors of 7,8-dihydroneopterin aldolase (DHNA; EC 4.1.2.25) have been discovered using CrystaLEAD X-ray crystallographic high-throughput screening followed by structure-directed optimization. Screening of a 10 000 compound random library provided several low affinity leads and their corresponding X-ray crystal structures bound to the enzyme. The presence of a common structural feature in each of the leads suggested a strategy for the construction of a directed library of approximately 1000 compounds that were screened for inhibitory activity in a traditional enzyme assay. Several lead compounds with IC(50) values of about 1 microM against DHNA were identified, and crystal structures of their enzyme-bound complexes were obtained by cocrystallization. Structure-directed optimization of one of the leads thus identified afforded potent inhibitors with submicromolar IC(50) values.
-
-	Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization.,Sanders WJ, Nienaber VL, Lerner CG, McCall JO, Merrick SM, Swanson SJ, Harlan JE, Stoll VS, Stamper GF, Betz SF, Condroski KR, Meadows RP, Severin JM, Walter KA, Magdalinos P, Jakob CG, Wagner R, Beutel BA J Med Chem. 2004 Mar 25;47(7):1709-18. PMID:15027862<ref>PMID:15027862</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 1rry" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Aldolase 3D structures\|Aldolase 3D structures]]		*[[Aldolase 3D structures\|Aldolase 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Dihydroneopterin aldolase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Betz~~, S F~~]]	+	[[Category: Staphylococcus aureus]]
-	[[Category: Beutel~~, B A~~]]	+	[[Category: Betz SF]]
-	[[Category: Condroski~~, K R~~]]	+	[[Category: Beutel BA]]
-	[[Category: Harlan~~, J E~~]]	+	[[Category: Condroski KR]]
-	[[Category: Jakob~~, C G~~]]	+	[[Category: Harlan JE]]
-	[[Category: Lerner~~, C G~~]]	+	[[Category: Jakob CG]]
-	[[Category: Magdalinos, P]]	+	[[Category: Lerner CG]]
-	[[Category: McCall~~, J O~~]]	+	[[Category: Magdalinos P]]
-	[[Category: Meadows~~, R P~~]]	+	[[Category: McCall JO]]
-	[[Category: Merrick~~, S M~~]]	+	[[Category: Meadows RP]]
-	[[Category: Nienaber~~, V L~~]]	+	[[Category: Merrick SM]]
-	[[Category: Sanders~~, W J~~]]	+	[[Category: Nienaber VL]]
-	[[Category: Severin~~, J M~~]]	+	[[Category: Sanders WJ]]
-	[[Category: Stamper~~, G F~~]]	+	[[Category: Severin JM]]
-	[[Category: Stoll~~, V S~~]]	+	[[Category: Stamper GF]]
-	[[Category: Swanson~~, S J~~]]	+	[[Category: Stoll VS]]
-	[[Category: Wagner, R]]	+	[[Category: Swanson SJ]]
-	[[Category: Walter~~, K A]]~~	+	[[Category: Wagner R]]
-	~~[[Category: 2-amino-4-hydroxy-5-carboxyethylpyrimidine]]~~	+	[[Category: Walter KA]]
-	~~[[Category: Dhna]]~~	+
-	~~[[Category: Lyase~~]]	+

OCA at 13:32, 16 December 2020

2020-12-16T13:32:49Z

←Older revision		Revision as of 13:32, 16 December 2020
Line 1:		Line 1:

	==DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine==		==DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine==
-	<StructureSection load='1rry' size='340' side='right' caption='[[1rry]], [[Resolution\|resolution]] 2.70Å' scene=''>	+	<StructureSection load='1rry' size='340' side='right'caption='[[1rry]], [[Resolution\|resolution]] 2.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1rry]] is a 1 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=1RRY OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=1RRY FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1rry]] is a 1 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=1RRY OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=1RRY FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=204:2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC+ACID+ETHYL+ESTER'>204</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=204:2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC+ACID+ETHYL+ESTER'>204</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1rrw\|1rrw]], [[1rri\|1rri]], [[1rr5\|1rr5]], [[1rs2\|1rs2]], [[1rs4\|1rs4]], [[1rsd\|1rsd]], [[1rsi\|1rsi]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1rrw\|1rrw]], [[1rri\|1rri]], [[1rr5\|1rr5]], [[1rs2\|1rs2]], [[1rs4\|1rs4]], [[1rsd\|1rsd]], [[1rsi\|1rsi]]</div></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FOLB ([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='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FOLB ([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='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydroneopterin_aldolase Dihydroneopterin aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.25 4.1.2.25] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydroneopterin_aldolase Dihydroneopterin aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.25 4.1.2.25] </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=1rry FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rry OCA], [http://pdbe.org/1rry PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1rry RCSB], [http://www.ebi.ac.uk/pdbsum/1rry PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1rry ProSAT]</span></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=1rry FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rry OCA], [http://pdbe.org/1rry PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1rry RCSB], [http://www.ebi.ac.uk/pdbsum/1rry PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1rry ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	==See Also==		==See Also==
-	*[[Aldolase\|Aldolase]]	+	*[[Aldolase 3D structures\|Aldolase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 39:		Line 39:
	</StructureSection>		</StructureSection>
	[[Category: Dihydroneopterin aldolase]]		[[Category: Dihydroneopterin aldolase]]
		+	[[Category: Large Structures]]
	[[Category: Betz, S F]]		[[Category: Betz, S F]]
	[[Category: Beutel, B A]]		[[Category: Beutel, B A]]

OCA at 06:46, 8 March 2018

2018-03-08T06:46:32Z

←Older revision		Revision as of 06:46, 8 March 2018
Line 1:		Line 1:
		+
	==DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine==		==DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine==
	<StructureSection load='1rry' size='340' side='right' caption='[[1rry]], [[Resolution\|resolution]] 2.70Å' scene=''>		<StructureSection load='1rry' size='340' side='right' caption='[[1rry]], [[Resolution\|resolution]] 2.70Å' scene=''>
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	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FOLB ([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='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FOLB ([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='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydroneopterin_aldolase Dihydroneopterin aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.25 4.1.2.25] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydroneopterin_aldolase Dihydroneopterin aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.25 4.1.2.25] </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=1rry FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rry OCA], [http://pdbe.org/1rry PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1rry RCSB], [http://www.ebi.ac.uk/pdbsum/1rry 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=1rry FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rry OCA], [http://pdbe.org/1rry PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1rry RCSB], [http://www.ebi.ac.uk/pdbsum/1rry PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1rry ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 15:		Line 16:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/rr/1rry_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/rr/1rry_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
-	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].	+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1rry ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 13:39, 11 September 2015

2015-09-11T13:39:12Z

←Older revision		Revision as of 13:39, 11 September 2015
Line 2:		Line 2:
	<StructureSection load='1rry' size='340' side='right' caption='[[1rry]], [[Resolution\|resolution]] 2.70Å' scene=''>		<StructureSection load='1rry' size='340' side='right' caption='[[1rry]], [[Resolution\|resolution]] 2.70Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[1rry]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Staphylococcus_aureus Staphylococcus~~ aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RRY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1RRY FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[1rry]] is a 1 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=1RRY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1RRY FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=204:2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC+ACID+ETHYL+ESTER'>204</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=204:2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC+ACID+ETHYL+ESTER'>204</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1rrw\|1rrw]], [[1rri\|1rri]], [[1rr5\|1rr5]], [[1rs2\|1rs2]], [[1rs4\|1rs4]], [[1rsd\|1rsd]], [[1rsi\|1rsi]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1rrw\|1rrw]], [[1rri\|1rri]], [[1rr5\|1rr5]], [[1rs2\|1rs2]], [[1rs4\|1rs4]], [[1rsd\|1rsd]], [[1rsi\|1rsi]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FOLB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 ~~Staphylococcus~~ aureus])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FOLB ([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='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydroneopterin_aldolase Dihydroneopterin aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.25 4.1.2.25] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydroneopterin_aldolase Dihydroneopterin aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.25 4.1.2.25] </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=1rry FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rry OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1rry RCSB], [http://www.ebi.ac.uk/pdbsum/1rry 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=1rry FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rry OCA], [http://pdbe.org/1rry PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1rry RCSB], [http://www.ebi.ac.uk/pdbsum/1rry PDBsum]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 29:		Line 29:
	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 1rry" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 37:		Line 38:
	</StructureSection>		</StructureSection>
	[[Category: Dihydroneopterin aldolase]]		[[Category: Dihydroneopterin aldolase]]
-	[[Category: Staphylococcus aureus]]
	[[Category: Betz, S F]]		[[Category: Betz, S F]]
	[[Category: Beutel, B A]]		[[Category: Beutel, B A]]

OCA at 17:11, 25 December 2014

2014-12-25T17:11:53Z

←Older revision		Revision as of 17:11, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[1rry]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RRY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1RRY FirstGlance]. <br>		<table><tr><td colspan='2'>[[1rry]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RRY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1RRY FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=204:2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC+ACID+ETHYL+ESTER'>204</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=204:2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC+ACID+ETHYL+ESTER'>204</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1rrw\|1rrw]], [[1rri\|1rri]], [[1rr5\|1rr5]], [[1rs2\|1rs2]], [[1rs4\|1rs4]], [[1rsd\|1rsd]], [[1rsi\|1rsi]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1rrw\|1rrw]], [[1rri\|1rri]], [[1rr5\|1rr5]], [[1rs2\|1rs2]], [[1rs4\|1rs4]], [[1rsd\|1rsd]], [[1rsi\|1rsi]]</td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FOLB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 Staphylococcus aureus])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FOLB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 Staphylococcus aureus])</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydroneopterin_aldolase Dihydroneopterin aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.25 4.1.2.25] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydroneopterin_aldolase Dihydroneopterin aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.25 4.1.2.25] </span></td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1rry FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rry OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1rry RCSB], [http://www.ebi.ac.uk/pdbsum/1rry 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=1rry FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rry OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1rry RCSB], [http://www.ebi.ac.uk/pdbsum/1rry PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/FOLB_STAAU FOLB_STAAU]] Catalyzes the conversion of 7,8-dihydroneopterin to 6-hydroxymethyl-7,8-dihydropterin.
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 36:		Line 38:
	[[Category: Dihydroneopterin aldolase]]		[[Category: Dihydroneopterin aldolase]]
	[[Category: Staphylococcus aureus]]		[[Category: Staphylococcus aureus]]
-	[[Category: Betz, S F.]]	+	[[Category: Betz, S F]]
-	[[Category: Beutel, B A.]]	+	[[Category: Beutel, B A]]
-	[[Category: Condroski, K R.]]	+	[[Category: Condroski, K R]]
-	[[Category: Harlan, J E.]]	+	[[Category: Harlan, J E]]
-	[[Category: Jakob, C G.]]	+	[[Category: Jakob, C G]]
-	[[Category: Lerner, C G.]]	+	[[Category: Lerner, C G]]
-	[[Category: Magdalinos, P.]]	+	[[Category: Magdalinos, P]]
-	[[Category: McCall, J O.]]	+	[[Category: McCall, J O]]
-	[[Category: Meadows, R P.]]	+	[[Category: Meadows, R P]]
-	[[Category: Merrick, S M.]]	+	[[Category: Merrick, S M]]
-	[[Category: Nienaber, V L.]]	+	[[Category: Nienaber, V L]]
-	[[Category: Sanders, W J.]]	+	[[Category: Sanders, W J]]
-	[[Category: Severin, J M.]]	+	[[Category: Severin, J M]]
-	[[Category: Stamper, G F.]]	+	[[Category: Stamper, G F]]
-	[[Category: Stoll, V S.]]	+	[[Category: Stoll, V S]]
-	[[Category: Swanson, S J.]]	+	[[Category: Swanson, S J]]
-	[[Category: Wagner, R.]]	+	[[Category: Wagner, R]]
-	[[Category: Walter, K A.]]	+	[[Category: Walter, K A]]
	[[Category: 2-amino-4-hydroxy-5-carboxyethylpyrimidine]]		[[Category: 2-amino-4-hydroxy-5-carboxyethylpyrimidine]]
	[[Category: Dhna]]		[[Category: Dhna]]
	[[Category: Lyase]]		[[Category: Lyase]]

OCA at 22:17, 28 September 2014

2014-09-28T22:17:44Z

←Older revision		Revision as of 22:17, 28 September 2014
Line 1:		Line 1:
-	[[~~Image:~~1rry.~~png~~\|~~left~~\|200px]]	+	==DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine==
		+	<StructureSection load='1rry' size='340' side='right' caption='[[1rry]], [[Resolution\|resolution]] 2.70Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[1rry]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RRY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1RRY FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=204:2-AMINO-4-HYDROXYPYRIMIDINE-5-CARBOXYLIC+ACID+ETHYL+ESTER'>204</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1rrw\|1rrw]], [[1rri\|1rri]], [[1rr5\|1rr5]], [[1rs2\|1rs2]], [[1rs4\|1rs4]], [[1rsd\|1rsd]], [[1rsi\|1rsi]]</td></tr>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FOLB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 Staphylococcus aureus])</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydroneopterin_aldolase Dihydroneopterin aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.25 4.1.2.25] </span></td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1rry FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1rry OCA], [http://www.rcsb.org/pdb/explore.do?structureId=1rry RCSB], [http://www.ebi.ac.uk/pdbsum/1rry PDBsum]</span></td></tr>
		+	<table>
		+	== Evolutionary Conservation ==
		+	[[Image:Consurf_key_small.gif\|200px\|right]]
		+	Check<jmol>
		+	<jmolCheckbox>
		+	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/rr/1rry_consurf.spt"</scriptWhenChecked>
		+	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
		+	<text>to colour the structure by Evolutionary Conservation</text>
		+	</jmolCheckbox>
		+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Potent inhibitors of 7,8-dihydroneopterin aldolase (DHNA; EC 4.1.2.25) have been discovered using CrystaLEAD X-ray crystallographic high-throughput screening followed by structure-directed optimization. Screening of a 10 000 compound random library provided several low affinity leads and their corresponding X-ray crystal structures bound to the enzyme. The presence of a common structural feature in each of the leads suggested a strategy for the construction of a directed library of approximately 1000 compounds that were screened for inhibitory activity in a traditional enzyme assay. Several lead compounds with IC(50) values of about 1 microM against DHNA were identified, and crystal structures of their enzyme-bound complexes were obtained by cocrystallization. Structure-directed optimization of one of the leads thus identified afforded potent inhibitors with submicromolar IC(50) values.

-	~~{{STRUCTURE_1rry\| PDB=1rry \| SCENE= }}~~	+	Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization.,Sanders WJ, Nienaber VL, Lerner CG, McCall JO, Merrick SM, Swanson SJ, Harlan JE, Stoll VS, Stamper GF, Betz SF, Condroski KR, Meadows RP, Severin JM, Walter KA, Magdalinos P, Jakob CG, Wagner R, Beutel BA J Med Chem. 2004 Mar 25;47(7):1709-18. PMID:15027862<ref>PMID:15027862</ref>

-	~~===DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_15027862}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[1rry]] is~~ a ~~1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Staphylococcus_aureus Staphylococcus aureus]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=1RRY OCA].~~	+

	==See Also==		==See Also==
	*[[Aldolase\|Aldolase]]		*[[Aldolase\|Aldolase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:015027862<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Dihydroneopterin aldolase]]		[[Category: Dihydroneopterin aldolase]]
	[[Category: Staphylococcus aureus]]		[[Category: Staphylococcus aureus]]

OCA at 19:18, 20 October 2012

2012-10-20T19:18:46Z

←Older revision		Revision as of 19:18, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[1rry]] is a 1 chain structure ~~of [[Aldolase]]~~ with sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RRY OCA].	+	[[1rry]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RRY OCA].

	==See Also==		==See Also==

OCA: Protected "1rry" [edit=sysop:move=sysop]

2012-07-27T06:56:22Z

Protected "1rry" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:56, 27 July 2012

OCA at 06:56, 27 July 2012

2012-07-27T06:56:20Z

←Older revision		Revision as of 06:56, 27 July 2012
Line 1:		Line 1:
-	{{Seed}}
	[[Image:1rry.png\|left\|200px]]		[[Image:1rry.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_1rry", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_1rry\| PDB=1rry \| SCENE= }}		{{STRUCTURE_1rry\| PDB=1rry \| SCENE= }}

	===DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine===		===DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_15027862}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 15027862 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_15027862}}		{{ABSTRACT_PUBMED_15027862}}

	==About this Structure==		==About this Structure==
-	~~1RRY~~ is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RRY OCA].	+	[[1rry]] is a 1 chain structure of [[Aldolase]] with sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RRY OCA].
		+
		+	==See Also==
		+	*[[Aldolase\|Aldolase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~15027862~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:015027862</ref><references group="xtra"/>
	[[Category: Dihydroneopterin aldolase]]		[[Category: Dihydroneopterin aldolase]]
	[[Category: Staphylococcus aureus]]		[[Category: Staphylococcus aureus]]
Line 46:		Line 37:
	[[Category: 2-amino-4-hydroxy-5-carboxyethylpyrimidine]]		[[Category: 2-amino-4-hydroxy-5-carboxyethylpyrimidine]]
	[[Category: Dhna]]		[[Category: Dhna]]
-		+	[[Category: Lyase]]
-	~~''Page seeded by~~ [~~http~~:~~//oca.weizmann.ac.il/oca OCA~~ ] ~~on Tue Feb 17 23:49:52 2009''~~	+

OCA at 21:49, 17 February 2009

2009-02-17T21:49:54Z

←Older revision		Revision as of 21:49, 17 February 2009
Line 20:		Line 20:

	==About this Structure==		==About this Structure==
-	1RRY is a ~~[[Single protein]]~~ structure of sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RRY OCA].	+	1RRY is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1RRY OCA].

	==Reference==		==Reference==
-	Discovery of potent inhibitors of dihydroneopterin aldolase using CrystaLEAD high-throughput X-ray crystallographic screening and structure-directed lead optimization., Sanders WJ, Nienaber VL, Lerner CG, McCall JO, Merrick SM, Swanson SJ, Harlan JE, Stoll VS, Stamper GF, Betz SF, Condroski KR, Meadows RP, Severin JM, Walter KA, Magdalinos P, Jakob CG, Wagner R, Beutel BA, J Med Chem. 2004 Mar 25;47(7):1709-18. PMID:~~[http:~~//~~www.ncbi.nlm.nih.gov/pubmed/15027862 15027862]~~	+	<ref group="xtra">PMID:15027862</ref><references group="xtra"/>
	[[Category: Dihydroneopterin aldolase]]		[[Category: Dihydroneopterin aldolase]]
-	[[Category: Single protein]]
	[[Category: Staphylococcus aureus]]		[[Category: Staphylococcus aureus]]
	[[Category: Betz, S F.]]		[[Category: Betz, S F.]]
Line 48:		Line 47:
	[[Category: Dhna]]		[[Category: Dhna]]

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue ~~Jul 29 07~~:03:~~15 2008~~''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Feb 17 23:49:52 2009''