4nx6 - Revision history

OCA at 17:04, 20 September 2023

OCA — Wed, 20 Sep 2023 17:04:27 GMT

←Older revision		Revision as of 17:04, 20 September 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4nx6]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NX6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4NX6 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4nx6]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NX6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4NX6 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=FOL:FOLIC+ACID'>FOL</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</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]] 1.35Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=FOL:FOLIC+ACID'>FOL</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></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=4nx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nx6 OCA], [https://pdbe.org/4nx6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4nx6 RCSB], [https://www.ebi.ac.uk/pdbsum/4nx6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4nx6 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=4nx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nx6 OCA], [https://pdbe.org/4nx6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4nx6 RCSB], [https://www.ebi.ac.uk/pdbsum/4nx6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4nx6 ProSAT]</span></td></tr>
	</table>		</table>

OCA at 08:44, 18 January 2023

OCA — Wed, 18 Jan 2023 08:44:27 GMT

←Older revision		Revision as of 08:44, 18 January 2023
Line 1:		Line 1:

	==single room temperature model of DHFR==		==single room temperature model of DHFR==
-	<StructureSection load='4nx6' size='340' side='right' caption='[[4nx6]], [[Resolution\|resolution]] 1.35Å' scene=''>	+	<StructureSection load='4nx6' size='340' side='right'caption='[[4nx6]], [[Resolution\|resolution]] 1.35Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4nx6]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Ecoli Ecoli~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NX6 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4NX6 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4nx6]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_K-12 Escherichia coli K-12]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NX6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4NX6 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=FOL:FOLIC+ACID'>FOL</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=FOL:FOLIC+ACID'>FOL</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4kjk\|4kjk]], [[4nx7\|4nx7]]</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=4nx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nx6 OCA], [https://pdbe.org/4nx6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4nx6 RCSB], [https://www.ebi.ac.uk/pdbsum/4nx6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4nx6 ProSAT]</span></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">folA, tmrA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 ECOLI])</td></tr>~~	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </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=4nx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nx6 OCA], [~~http~~://pdbe.org/4nx6 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4nx6 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4nx6 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4nx6 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/DYR_ECOLI DYR_ECOLI]] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.	+	[https://www.uniprot.org/uniprot/DYR_ECOLI DYR_ECOLI] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 20:

	==See Also==		==See Also==
-	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]	+	*[[Dihydrofolate reductase 3D structures\|Dihydrofolate reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Dihydrofolate reductase~~]]	+	[[Category: Escherichia coli K-12]]
-	[[Category: ~~Ecoli]]~~	+	[[Category: Large Structures]]
-	~~[[Category: Bedem, H van den~~]]	+	[[Category: Fenwick RB]]
-	[[Category: Fenwick~~, R B~~]]	+	[[Category: Fraser JS]]
-	[[Category: Fraser~~, J S~~]]	+	[[Category: Wright PE]]
-	[[Category: Wright~~, P E~~]]	+	[[Category: Van den Bedem H]]
-	[[Category: ~~Folate metabolism]]~~	+
-	~~[[Category: Oxidoreductase~~]]	+

OCA at 19:33, 5 August 2016

OCA — Fri, 05 Aug 2016 19:33:32 GMT

←Older revision		Revision as of 19:33, 5 August 2016
Line 1:		Line 1:
		+
	==single room temperature model of DHFR==		==single room temperature model of DHFR==
	<StructureSection load='4nx6' size='340' side='right' caption='[[4nx6]], [[Resolution\|resolution]] 1.35Å' scene=''>		<StructureSection load='4nx6' size='340' side='right' caption='[[4nx6]], [[Resolution\|resolution]] 1.35Å' scene=''>
Line 7:		Line 8:
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">folA, tmrA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 ECOLI])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">folA, tmrA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 ECOLI])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </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=4nx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nx6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4nx6 RCSB], [http://www.ebi.ac.uk/pdbsum/4nx6 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=4nx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nx6 OCA], [http://pdbe.org/4nx6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4nx6 RCSB], [http://www.ebi.ac.uk/pdbsum/4nx6 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4nx6 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	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 4nx6" style="background-color:#fffaf0;"></div>

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

OCA at 21:20, 25 December 2014

OCA — Thu, 25 Dec 2014 21:20:42 GMT

←Older revision		Revision as of 21:20, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4nx6]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Ecoli Ecoli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NX6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NX6 FirstGlance]. <br>		<table><tr><td colspan='2'>[[4nx6]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Ecoli Ecoli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NX6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NX6 FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=FOL:FOLIC+ACID'>FOL</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=FOL:FOLIC+ACID'>FOL</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4kjk\|4kjk]], [[4nx7\|4nx7]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4kjk\|4kjk]], [[4nx7\|4nx7]]</td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">folA, tmrA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 ECOLI])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">folA, tmrA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 ECOLI])</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </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=4nx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nx6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4nx6 RCSB], [http://www.ebi.ac.uk/pdbsum/4nx6 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=4nx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nx6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4nx6 RCSB], [http://www.ebi.ac.uk/pdbsum/4nx6 PDBsum]</span></td></tr>
-	<table>	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/DYR_ECOLI DYR_ECOLI]] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 15:		Line 17:
	Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR.,Fenwick RB, van den Bedem H, Fraser JS, Wright PE Proc Natl Acad Sci U S A. 2014 Jan 28;111(4):E445-54. doi:, 10.1073/pnas.1323440111. Epub 2014 Jan 13. PMID:24474795<ref>PMID:24474795</ref>		Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR.,Fenwick RB, van den Bedem H, Fraser JS, Wright PE Proc Natl Acad Sci U S A. 2014 Jan 28;111(4):E445-54. doi:, 10.1073/pnas.1323440111. Epub 2014 Jan 13. PMID:24474795<ref>PMID:24474795</ref>

-	From ~~MEDLINEÂ®~~/~~PubMedÂ®~~, 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>
		+
		+	==See Also==
		+	*[[Dihydrofolate reductase\|Dihydrofolate reductase]]
	== References ==		== References ==
	<references/>		<references/>
Line 23:		Line 28:
	[[Category: Dihydrofolate reductase]]		[[Category: Dihydrofolate reductase]]
	[[Category: Ecoli]]		[[Category: Ecoli]]
-	[[Category: Bedem, H van den.]]	+	[[Category: Bedem, H van den]]
-	[[Category: Fenwick, R B.]]	+	[[Category: Fenwick, R B]]
-	[[Category: Fraser, J S.]]	+	[[Category: Fraser, J S]]
-	[[Category: Wright, P E.]]	+	[[Category: Wright, P E]]
	[[Category: Folate metabolism]]		[[Category: Folate metabolism]]
	[[Category: Oxidoreductase]]		[[Category: Oxidoreductase]]

OCA at 13:39, 18 May 2014

OCA — Sun, 18 May 2014 13:39:51 GMT

←Older revision		Revision as of 13:39, 18 May 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_4nx6~~\| ~~PDB~~=4nx6 \| ~~SCENE~~= }}	+	==single room temperature model of DHFR==
-	===single room temperature ~~model~~ of ~~DHFR===~~	+	<StructureSection load='4nx6' size='340' side='right' caption='[[4nx6]], [[Resolution\|resolution]] 1.35Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4nx6]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Ecoli Ecoli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NX6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NX6 FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=FOL:FOLIC+ACID'>FOL</scene>, <scene name='pdbligand=MN:MANGANESE+(II)+ION'>MN</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4kjk\|4kjk]], [[4nx7\|4nx7]]</td></tr>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">folA, tmrA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83333 ECOLI])</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dihydrofolate_reductase Dihydrofolate reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.3 1.5.1.3] </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=4nx6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nx6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4nx6 RCSB], [http://www.ebi.ac.uk/pdbsum/4nx6 PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Detailed descriptions of atomic coordinates and motions are required for an understanding of protein dynamics and their relation to molecular recognition, catalytic function, and allostery. Historically, NMR relaxation measurements have played a dominant role in the determination of the amplitudes and timescales (picosecond-nanosecond) of bond vector fluctuations, whereas high-resolution X-ray diffraction experiments can reveal the presence of and provide atomic coordinates for multiple, weakly populated substates in the protein conformational ensemble. Here we report a hybrid NMR and X-ray crystallography analysis that provides a more complete dynamic picture and a more quantitative description of the timescale and amplitude of fluctuations in atomic coordinates than is obtainable from the individual methods alone. Order parameters (S(2)) were calculated from single-conformer and multiconformer models fitted to room temperature and cryogenic X-ray diffraction data for dihydrofolate reductase. Backbone and side-chain order parameters derived from NMR relaxation experiments are in excellent agreement with those calculated from the room-temperature single-conformer and multiconformer models, showing that the picosecond timescale motions observed in solution occur also in the crystalline state. These motions are quenched in the crystal at cryogenic temperatures. The combination of NMR and X-ray crystallography in iterative refinement promises to provide an atomic resolution description of the alternate conformational substates that are sampled through picosecond to nanosecond timescale fluctuations of the protein structure. The method also provides insights into the structural heterogeneity of nonmethyl side chains, aromatic residues, and ligands, which are less commonly analyzed by NMR relaxation measurements.

-	~~==Function==~~	+	Integrated description of protein dynamics from room-temperature X-ray crystallography and NMR.,Fenwick RB, van den Bedem H, Fraser JS, Wright PE Proc Natl Acad Sci U S A. 2014 Jan 28;111(4):E445-54. doi:, 10.1073/pnas.1323440111. Epub 2014 Jan 13. PMID:24474795<ref>PMID:24474795</ref>
-	~~[[http~~:~~//www~~.~~uniprot~~.~~org~~/~~uniprot/DYR_ECOLI DYR_ECOLI]] Key enzyme in folate metabolism~~. ~~Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis~~.	+

-	==~~About this Structure~~==	+	From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
-	~~[[4nx6]] is a 1 chain structure. Full crystallographic information is available from [http:~~//~~oca.weizmann.ac.il/oca-bin/ocashort?id=4NX6 OCA].~~	+	</div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Dihydrofolate reductase]]		[[Category: Dihydrofolate reductase]]
		+	[[Category: Ecoli]]
	[[Category: Bedem, H van den.]]		[[Category: Bedem, H van den.]]
	[[Category: Fenwick, R B.]]		[[Category: Fenwick, R B.]]

OCA at 08:27, 15 January 2014

OCA — Wed, 15 Jan 2014 08:27:46 GMT

←Older revision		Revision as of 08:27, 15 January 2014
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	{{STRUCTURE_4nx6\| PDB=4nx6 \| SCENE= }}
		+	===single room temperature model of DHFR===

-	~~The entry 4nx6 is ON HOLD~~	+	==Function==
		+	[[http://www.uniprot.org/uniprot/DYR_ECOLI DYR_ECOLI]] Key enzyme in folate metabolism. Catalyzes an essential reaction for de novo glycine and purine synthesis, and for DNA precursor synthesis.

-	~~Authors~~: ~~Fenwick, R~~.B.~~, van den~~ Bedem, H., Fraser, J.S., Wright, P.E.	+	==About this Structure==
-		+	[[4nx6]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NX6 OCA].
-	~~Description~~: ~~single room temperature model of DHFR~~	+	[[Category: Dihydrofolate reductase]]
		+	[[Category: Bedem, H van den.]]
		+	[[Category: Fenwick, R B.]]
		+	[[Category: Fraser, J S.]]
		+	[[Category: Wright, P E.]]
		+	[[Category: Folate metabolism]]
		+	[[Category: Oxidoreductase]]

OCA: Protected "4nx6" [edit=sysop:move=sysop]

OCA — Wed, 18 Dec 2013 09:25:16 GMT

Protected "4nx6" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:25, 18 December 2013

OCA: New page: '''Unreleased structure''' The entry 4nx6 is ON HOLD Authors: Fenwick, R.B., van den Bedem, H., Fraser, J.S., Wright, P.E. Description: single room temperature model of DHFR

OCA — Wed, 18 Dec 2013 09:25:14 GMT

New page: '''Unreleased structure''' The entry 4nx6 is ON HOLD Authors: Fenwick, R.B., van den Bedem, H., Fraser, J.S., Wright, P.E. Description: single room temperature model of DHFR

New page

'''Unreleased structure'''

The entry 4nx6 is ON HOLD

Authors: Fenwick, R.B., van den Bedem, H., Fraser, J.S., Wright, P.E.

Description: single room temperature model of DHFR