3nj4 - Revision history

OCA at 10:00, 14 February 2024

OCA — Wed, 14 Feb 2024 10:00:40 GMT

←Older revision		Revision as of 10:00, 14 February 2024
Line 3:		Line 3:
	<StructureSection load='3nj4' size='340' side='right'caption='[[3nj4]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='3nj4' size='340' side='right'caption='[[3nj4]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3nj4]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NJ4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3NJ4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3nj4]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NJ4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3NJ4 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AFX:(4S,5S)-4-(6-AMINO-9H-PURIN-9-YL)-3-FLUORO-5-HYDROXY-2-(HYDROXYMETHYL)CYCLOPENT-2-EN-1-ONE'>AFX</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</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]] 2.5Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">AHCY, SAHH ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AFX:(4S,5S)-4-(6-AMINO-9H-PURIN-9-YL)-3-FLUORO-5-HYDROXY-2-(HYDROXYMETHYL)CYCLOPENT-2-EN-1-ONE'>AFX</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Adenosylhomocysteinase Adenosylhomocysteinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.1.1 3.3.1.1] </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=3nj4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nj4 OCA], [https://pdbe.org/3nj4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3nj4 RCSB], [https://www.ebi.ac.uk/pdbsum/3nj4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3nj4 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=3nj4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nj4 OCA], [https://pdbe.org/3nj4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3nj4 RCSB], [https://www.ebi.ac.uk/pdbsum/3nj4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3nj4 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
-	[[https://www.uniprot.org/uniprot/SAHH_HUMAN SAHH_HUMAN]] Defects in AHCY are the cause of hypermethioninemia with S-adenosylhomocysteine hydrolase deficiency (HMAHCHD) [MIM:[https://omim.org/entry/613752 613752]]. A metabolic disorder characterized by hypermethioninemia associated with failure to thrive, mental and motor retardation, facial dysmorphism with abnormal hair and teeth, and myocardiopathy.<ref>PMID:15024124</ref> <ref>PMID:16736098</ref> <ref>PMID:19177456</ref> <ref>PMID:20852937</ref>	+	[https://www.uniprot.org/uniprot/SAHH_HUMAN SAHH_HUMAN] Defects in AHCY are the cause of hypermethioninemia with S-adenosylhomocysteine hydrolase deficiency (HMAHCHD) [MIM:[https://omim.org/entry/613752 613752]. A metabolic disorder characterized by hypermethioninemia associated with failure to thrive, mental and motor retardation, facial dysmorphism with abnormal hair and teeth, and myocardiopathy.<ref>PMID:15024124</ref> <ref>PMID:16736098</ref> <ref>PMID:19177456</ref> <ref>PMID:20852937</ref>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/SAHH_HUMAN SAHH_HUMAN]] Adenosylhomocysteine is a competitive inhibitor of S-adenosyl-L-methionine-dependent methyl transferase reactions; therefore adenosylhomocysteinase may play a key role in the control of methylations via regulation of the intracellular concentration of adenosylhomocysteine.<ref>PMID:12590576</ref>	+	[https://www.uniprot.org/uniprot/SAHH_HUMAN SAHH_HUMAN] Adenosylhomocysteine is a competitive inhibitor of S-adenosyl-L-methionine-dependent methyl transferase reactions; therefore adenosylhomocysteinase may play a key role in the control of methylations via regulation of the intracellular concentration of adenosylhomocysteine.<ref>PMID:12590576</ref>
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	The X-ray crystal structure of human S-adenosylhomocysteine (AdoHcy) hydrolase was first determined as a tetrameric form bound with the novel mechanism-based inhibitor fluoroneplanocin A (4b). The crystallized enzyme complex showed the closed conformation and turned out to be the intermediate of mechanism-based inhibition. It confirmed that the cofactor depletion by 3'-oxidation of fluoroneplanocin A contributes to the enzyme inhibition along with the irreversible covalent modification of AdoHcy hydrolase. In addition, a series of haloneplanocin A analogues (4b-e and 5b-e) were designed and synthesized to characterize the binding role and reactivity of the halogen substituents and the 4'-CH(2)OH group. The biological evaluation and molecular modeling studies identified the key pharmacophores and structural requirements for the inhibitor binding of AdoHcy hydrolase. The inhibitory activity was decreased as the size of the halogen atom increased and/or if the 4'-CH(2)OH group was absent. These results could be utilized to design new therapeutic agents operating via AdoHcy hydrolase inhibition.	+
-		+
-	X-ray crystal structure and binding mode analysis of human S-adenosylhomocysteine hydrolase complexed with novel mechanism-based inhibitors, haloneplanocin A analogues.,Lee KM, Choi WJ, Lee Y, Lee HJ, Zhao LX, Lee HW, Park JG, Kim HO, Hwang KY, Heo YS, Choi S, Jeong LS J Med Chem. 2011 Feb 24;54(4):930-8. Epub 2011 Jan 12. PMID:21226494<ref>PMID:21226494</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3nj4" style="background-color:#fffaf0;"></div~~>	+

	==See Also==		==See Also==
Line 29:		Line 19:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Adenosylhomocysteinase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Choi, S]]	+	[[Category: Choi S]]
-	[[Category: Heo~~, Y S~~]]	+	[[Category: Heo YS]]
-	[[Category: Hwang~~, K Y~~]]	+	[[Category: Hwang KY]]
-	[[Category: Jeong~~, L S~~]]	+	[[Category: Jeong LS]]
-	[[Category: Lee~~, K M]]~~	+	[[Category: Lee KM]]
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Nad]]~~	+
-	~~[[Category: S-adenosylhomocystein~~]]	+

OCA at 07:03, 12 May 2022

OCA — Thu, 12 May 2022 07:03:16 GMT

←Older revision		Revision as of 07:03, 12 May 2022
Line 1:		Line 1:

	==Fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase==		==Fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase==
-	<StructureSection load='3nj4' size='340' side='right' caption='[[3nj4]], [[Resolution\|resolution]] 2.50Å' scene=''>	+	<StructureSection load='3nj4' size='340' side='right'caption='[[3nj4]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3nj4]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NJ4 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3NJ4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3nj4]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NJ4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3NJ4 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AFX:(4S,5S)-4-(6-AMINO-9H-PURIN-9-YL)-3-FLUORO-5-HYDROXY-2-(HYDROXYMETHYL)CYCLOPENT-2-EN-1-ONE'>AFX</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AFX:(4S,5S)-4-(6-AMINO-9H-PURIN-9-YL)-3-FLUORO-5-HYDROXY-2-(HYDROXYMETHYL)CYCLOPENT-2-EN-1-ONE'>AFX</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">AHCY, SAHH ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">AHCY, SAHH ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Adenosylhomocysteinase Adenosylhomocysteinase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.1.1 3.3.1.1] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Adenosylhomocysteinase Adenosylhomocysteinase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.1.1 3.3.1.1] </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=3nj4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nj4 OCA], [~~http~~://pdbe.org/3nj4 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3nj4 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3nj4 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3nj4 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=3nj4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nj4 OCA], [https://pdbe.org/3nj4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3nj4 RCSB], [https://www.ebi.ac.uk/pdbsum/3nj4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3nj4 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
-	[[~~http~~://www.uniprot.org/uniprot/SAHH_HUMAN SAHH_HUMAN]] Defects in AHCY are the cause of hypermethioninemia with S-adenosylhomocysteine hydrolase deficiency (HMAHCHD) [MIM:[~~http~~://omim.org/entry/613752 613752]]. A metabolic disorder characterized by hypermethioninemia associated with failure to thrive, mental and motor retardation, facial dysmorphism with abnormal hair and teeth, and myocardiopathy.<ref>PMID:15024124</ref> <ref>PMID:16736098</ref> <ref>PMID:19177456</ref> <ref>PMID:20852937</ref>	+	[[https://www.uniprot.org/uniprot/SAHH_HUMAN SAHH_HUMAN]] Defects in AHCY are the cause of hypermethioninemia with S-adenosylhomocysteine hydrolase deficiency (HMAHCHD) [MIM:[https://omim.org/entry/613752 613752]]. A metabolic disorder characterized by hypermethioninemia associated with failure to thrive, mental and motor retardation, facial dysmorphism with abnormal hair and teeth, and myocardiopathy.<ref>PMID:15024124</ref> <ref>PMID:16736098</ref> <ref>PMID:19177456</ref> <ref>PMID:20852937</ref>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/SAHH_HUMAN SAHH_HUMAN]] Adenosylhomocysteine is a competitive inhibitor of S-adenosyl-L-methionine-dependent methyl transferase reactions; therefore adenosylhomocysteinase may play a key role in the control of methylations via regulation of the intracellular concentration of adenosylhomocysteine.<ref>PMID:12590576</ref>	+	[[https://www.uniprot.org/uniprot/SAHH_HUMAN SAHH_HUMAN]] Adenosylhomocysteine is a competitive inhibitor of S-adenosyl-L-methionine-dependent methyl transferase reactions; therefore adenosylhomocysteinase may play a key role in the control of methylations via regulation of the intracellular concentration of adenosylhomocysteine.<ref>PMID:12590576</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 31:		Line 31:
	[[Category: Adenosylhomocysteinase]]		[[Category: Adenosylhomocysteinase]]
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Choi, S]]		[[Category: Choi, S]]
	[[Category: Heo, Y S]]		[[Category: Heo, Y S]]

OCA at 02:25, 5 August 2016

OCA — Fri, 05 Aug 2016 02:25:42 GMT

←Older revision		Revision as of 02:25, 5 August 2016
Line 1:		Line 1:
		+
	==Fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase==		==Fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase==
	<StructureSection load='3nj4' size='340' side='right' caption='[[3nj4]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='3nj4' size='340' side='right' caption='[[3nj4]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3nj4]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NJ4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3NJ4 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3nj4]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NJ4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3NJ4 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AFX:(4S,5S)-4-(6-AMINO-9H-PURIN-9-YL)-3-FLUORO-5-HYDROXY-2-(HYDROXYMETHYL)CYCLOPENT-2-EN-1-ONE'>AFX</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AFX:(4S,5S)-4-(6-AMINO-9H-PURIN-9-YL)-3-FLUORO-5-HYDROXY-2-(HYDROXYMETHYL)CYCLOPENT-2-EN-1-ONE'>AFX</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">AHCY, SAHH ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 ~~Homo sapiens~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">AHCY, SAHH ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenosylhomocysteinase Adenosylhomocysteinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.1.1 3.3.1.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenosylhomocysteinase Adenosylhomocysteinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.1.1 3.3.1.1] </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=3nj4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nj4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3nj4 RCSB], [http://www.ebi.ac.uk/pdbsum/3nj4 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=3nj4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nj4 OCA], [http://pdbe.org/3nj4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3nj4 RCSB], [http://www.ebi.ac.uk/pdbsum/3nj4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3nj4 ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 20:		Line 21:
	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 3nj4" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 28:		Line 30:
	</StructureSection>		</StructureSection>
	[[Category: Adenosylhomocysteinase]]		[[Category: Adenosylhomocysteinase]]
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Choi, S]]		[[Category: Choi, S]]
	[[Category: Heo, Y S]]		[[Category: Heo, Y S]]

OCA at 18:00, 18 December 2014

OCA — Thu, 18 Dec 2014 18:00:17 GMT

←Older revision		Revision as of 18:00, 18 December 2014
Line 1:		Line 1:
-	~~{{STRUCTURE_3nj4~~\| ~~PDB~~=3nj4 \| ~~SCENE~~= }}	+	==Fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase==
-	===~~Fluoro~~-~~neplanocin A~~ in ~~Human~~ S-Adenosylhomocysteine ~~Hydrolase~~===	+	<StructureSection load='3nj4' size='340' side='right' caption='[[3nj4]], [[Resolution\|resolution]] 2.50Å' scene=''>
-	~~{{ABSTRACT_PUBMED_21226494}}~~	+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3nj4]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NJ4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3NJ4 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=AFX:(4S,5S)-4-(6-AMINO-9H-PURIN-9-YL)-3-FLUORO-5-HYDROXY-2-(HYDROXYMETHYL)CYCLOPENT-2-EN-1-ONE'>AFX</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">AHCY, SAHH ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Adenosylhomocysteinase Adenosylhomocysteinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.3.1.1 3.3.1.1] </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=3nj4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3nj4 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3nj4 RCSB], [http://www.ebi.ac.uk/pdbsum/3nj4 PDBsum]</span></td></tr>
		+	</table>
		+	== Disease ==
		+	[[http://www.uniprot.org/uniprot/SAHH_HUMAN SAHH_HUMAN]] Defects in AHCY are the cause of hypermethioninemia with S-adenosylhomocysteine hydrolase deficiency (HMAHCHD) [MIM:[http://omim.org/entry/613752 613752]]. A metabolic disorder characterized by hypermethioninemia associated with failure to thrive, mental and motor retardation, facial dysmorphism with abnormal hair and teeth, and myocardiopathy.<ref>PMID:15024124</ref> <ref>PMID:16736098</ref> <ref>PMID:19177456</ref> <ref>PMID:20852937</ref>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/SAHH_HUMAN SAHH_HUMAN]] Adenosylhomocysteine is a competitive inhibitor of S-adenosyl-L-methionine-dependent methyl transferase reactions; therefore adenosylhomocysteinase may play a key role in the control of methylations via regulation of the intracellular concentration of adenosylhomocysteine.<ref>PMID:12590576</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The X-ray crystal structure of human S-adenosylhomocysteine (AdoHcy) hydrolase was first determined as a tetrameric form bound with the novel mechanism-based inhibitor fluoroneplanocin A (4b). The crystallized enzyme complex showed the closed conformation and turned out to be the intermediate of mechanism-based inhibition. It confirmed that the cofactor depletion by 3'-oxidation of fluoroneplanocin A contributes to the enzyme inhibition along with the irreversible covalent modification of AdoHcy hydrolase. In addition, a series of haloneplanocin A analogues (4b-e and 5b-e) were designed and synthesized to characterize the binding role and reactivity of the halogen substituents and the 4'-CH(2)OH group. The biological evaluation and molecular modeling studies identified the key pharmacophores and structural requirements for the inhibitor binding of AdoHcy hydrolase. The inhibitory activity was decreased as the size of the halogen atom increased and/or if the 4'-CH(2)OH group was absent. These results could be utilized to design new therapeutic agents operating via AdoHcy hydrolase inhibition.

-	~~==Disease==~~	+	X-ray crystal structure and binding mode analysis of human S-adenosylhomocysteine hydrolase complexed with novel mechanism-based inhibitors, haloneplanocin A analogues.,Lee KM, Choi WJ, Lee Y, Lee HJ, Zhao LX, Lee HW, Park JG, Kim HO, Hwang KY, Heo YS, Choi S, Jeong LS J Med Chem. 2011 Feb 24;54(4):930-8. Epub 2011 Jan 12. PMID:21226494<ref>PMID:21226494</ref>
-	~~[[http://www.uniprot.org/uniprot/SAHH_HUMAN SAHH_HUMAN]] Defects in AHCY are the cause~~ of ~~hypermethioninemia with~~ S-adenosylhomocysteine hydrolase ~~deficiency (HMAHCHD) [MIM:[http://omim.org/entry/613752 613752]]. A metabolic disorder characterized by hypermethioninemia associated~~ with ~~failure to thrive~~, ~~mental and motor retardation~~, ~~facial dysmorphism with abnormal hair and teeth~~, ~~and myocardiopathy~~.~~<ref>PMID~~:~~15024124</ref><ref>~~PMID:~~16736098</ref><ref>PMID:19177456</ref>~~<ref>PMID:~~20852937~~</ref>	+

-	~~==Function==~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[http:~~/~~/www.uniprot.org/uniprot/SAHH_HUMAN SAHH_HUMAN]] Adenosylhomocysteine is a competitive inhibitor of S-adenosyl-L-methionine-dependent methyl transferase reactions~~; ~~therefore adenosylhomocysteinase may play~~ a ~~key role in the control of methylations via regulation~~ of the ~~intracellular concentration~~ of ~~adenosylhomocysteine~~.<~~ref~~>~~PMID:12590576~~</~~ref~~>	+	</div>

-	==~~About this Structure~~==	+	==See Also==
-	[[~~3nj4~~]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NJ4 OCA].	+	*[[S-adenosylhomocysteine hydrolase\|S-adenosylhomocysteine hydrolase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	~~<ref group="xtra">PMID:021226494</ref>~~<references ~~group="xtra"~~/><~~references~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Adenosylhomocysteinase]]		[[Category: Adenosylhomocysteinase]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Choi, S.]]	+	[[Category: Choi, S]]
-	[[Category: Heo, Y S.]]	+	[[Category: Heo, Y S]]
-	[[Category: Hwang, K Y.]]	+	[[Category: Hwang, K Y]]
-	[[Category: Jeong, L S.]]	+	[[Category: Jeong, L S]]
-	[[Category: Lee, K M.]]	+	[[Category: Lee, K M]]
	[[Category: Hydrolase]]		[[Category: Hydrolase]]
	[[Category: Nad]]		[[Category: Nad]]
	[[Category: S-adenosylhomocystein]]		[[Category: S-adenosylhomocystein]]

OCA at 07:19, 25 March 2013

OCA — Mon, 25 Mar 2013 07:19:17 GMT

←Older revision		Revision as of 07:19, 25 March 2013
Line 1:		Line 1:
-	[[Image:3nj4.jpg\|left\|200px]]
-
-	<!--
-	The line below this paragraph, containing "STRUCTURE_3nj4", 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_3nj4\| PDB=3nj4 \| SCENE= }}		{{STRUCTURE_3nj4\| PDB=3nj4 \| SCENE= }}
-
	===Fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase===		===Fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase===
		+	{{ABSTRACT_PUBMED_21226494}}

		+	==Disease==
		+	[[http://www.uniprot.org/uniprot/SAHH_HUMAN SAHH_HUMAN]] Defects in AHCY are the cause of hypermethioninemia with S-adenosylhomocysteine hydrolase deficiency (HMAHCHD) [MIM:[http://omim.org/entry/613752 613752]]. A metabolic disorder characterized by hypermethioninemia associated with failure to thrive, mental and motor retardation, facial dysmorphism with abnormal hair and teeth, and myocardiopathy.<ref>PMID:15024124</ref><ref>PMID:16736098</ref><ref>PMID:19177456</ref><ref>PMID:20852937</ref>

-	~~<!--~~	+	==Function==
-	~~The line below this paragraph, {{ABSTRACT_PUBMED_21226494}}, adds the Publication Abstract to the page~~	+	[[http://www.uniprot.org/uniprot/SAHH_HUMAN SAHH_HUMAN]] Adenosylhomocysteine is a competitive inhibitor of S-adenosyl-L-methionine-dependent methyl transferase reactions; therefore adenosylhomocysteinase may play a key role in the control of methylations via regulation of the intracellular concentration of adenosylhomocysteine.<ref>PMID:12590576</ref>
-	~~(as it appears on PubMed at~~ http://www.~~pubmed~~.~~gov), where 21226494~~ is ~~the PubMed ID number.~~	+
-	-->	+
-	~~{{ABSTRACT_PUBMED_21226494}}~~	+

	==About this Structure==		==About this Structure==
Line 22:		Line 13:

	==Reference==		==Reference==
-	<ref group="xtra">PMID:021226494</ref><references group="xtra"/>	+	<ref group="xtra">PMID:021226494</ref><references group="xtra"/><references/>
	[[Category: Adenosylhomocysteinase]]		[[Category: Adenosylhomocysteinase]]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
Line 30:		Line 21:
	[[Category: Jeong, L S.]]		[[Category: Jeong, L S.]]
	[[Category: Lee, K M.]]		[[Category: Lee, K M.]]
		+	[[Category: Hydrolase]]
		+	[[Category: Nad]]
		+	[[Category: S-adenosylhomocystein]]

OCA: Protected "3nj4" [edit=sysop:move=sysop]

OCA — Wed, 04 May 2011 06:50:46 GMT

Protected "3nj4" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:50, 4 May 2011

OCA at 06:50, 4 May 2011

OCA — Wed, 04 May 2011 06:50:41 GMT

←Older revision		Revision as of 06:50, 4 May 2011
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3nj4.jpg\|left\|200px]]

-	The ~~entry 3nj4~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3nj4", 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_3nj4\| PDB=3nj4 \| SCENE= }}

-	~~Authors: Jeong, L.~~S~~., Lee, K.M., Hwang, K.Y., Choi, S., Heo, Y.S.~~	+	===Fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase===

-	Description: Fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase

-	~~''Page seeded by~~ [http://oca.weizmann.ac.il/oca OCA ] ~~on Wed Aug 4 08~~:48:~~41 2010''~~	+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_21226494}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 21226494 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_21226494}}
		+
		+	==About this Structure==
		+	[[3nj4]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3NJ4 OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:021226494</ref><references group="xtra"/>
		+	[[Category: Adenosylhomocysteinase]]
		+	[[Category: Homo sapiens]]
		+	[[Category: Choi, S.]]
		+	[[Category: Heo, Y S.]]
		+	[[Category: Hwang, K Y.]]
		+	[[Category: Jeong, L S.]]
		+	[[Category: Lee, K M.]]

OCA at 04:41, 4 August 2010

OCA — Wed, 04 Aug 2010 04:41:42 GMT

←Older revision		Revision as of 04:41, 4 August 2010
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3nj4 is ON HOLD	+	The entry 3nj4 is ON HOLD until Paper Publication

	Authors: Jeong, L.S., Lee, K.M., Hwang, K.Y., Choi, S., Heo, Y.S.		Authors: Jeong, L.S., Lee, K.M., Hwang, K.Y., Choi, S., Heo, Y.S.
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	Description: Fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase		Description: Fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Jul~~ 7 08:29:35 2010''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Aug 4 08:48:41 2010''

OCA at 04:23, 7 July 2010

OCA — Wed, 07 Jul 2010 04:23:43 GMT

←Older revision		Revision as of 04:23, 7 July 2010
Line 5:		Line 5:
	Authors: Jeong, L.S., Lee, K.M., Hwang, K.Y., Choi, S., Heo, Y.S.		Authors: Jeong, L.S., Lee, K.M., Hwang, K.Y., Choi, S., Heo, Y.S.

-	Description: ~~fluoro~~-neplanocin A in Human S-Adenosylhomocysteine Hydrolase	+	Description: Fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase

-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed ~~Jun 23~~ 08:44:01 2010''	+	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jul 7 08:29:35 2010''

OCA: New page: '''Unreleased structure''' The entry 3nj4 is ON HOLD Authors: Jeong, L.S., Lee, K.M., Hwang, K.Y., Choi, S., Heo, Y.S. Description: fluoro-neplanocin A in Human S-Adenosylhomocysteine ...

OCA — Wed, 23 Jun 2010 04:38:43 GMT

New page: '''Unreleased structure''' The entry 3nj4 is ON HOLD Authors: Jeong, L.S., Lee, K.M., Hwang, K.Y., Choi, S., Heo, Y.S. Description: fluoro-neplanocin A in Human S-Adenosylhomocysteine ...

New page

'''Unreleased structure'''

The entry 3nj4 is ON HOLD

Authors: Jeong, L.S., Lee, K.M., Hwang, K.Y., Choi, S., Heo, Y.S.

Description: fluoro-neplanocin A in Human S-Adenosylhomocysteine Hydrolase

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jun 23 08:44:01 2010''