4ob0 - Revision history

OCA at 07:15, 25 January 2023

OCA — Wed, 25 Jan 2023 07:15:01 GMT

←Older revision		Revision as of 07:15, 25 January 2023
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	<StructureSection load='4ob0' size='340' side='right'caption='[[4ob0]], [[Resolution\|resolution]] 1.20Å' scene=''>		<StructureSection load='4ob0' size='340' side='right'caption='[[4ob0]], [[Resolution\|resolution]] 1.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4ob0]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Atcc_19285 Atcc 19285~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OB0 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4OB0 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4ob0]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudonocardia_thermophila Pseudonocardia thermophila]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OB0 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4OB0 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene>, ~~<scene name='pdbligand=PBC:PHENYL+BORONIC+ACID'>PBC</scene></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene>, <scene name='pdbligand=CSD:3-SULFINOALANINE'>CSD</scene>, <scene name='pdbligand=PBC:PHENYL+BORONIC+ACID'>PBC</scene></td></tr>
-	~~<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=CSD:3-SULFINOALANINE'>CSD</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=4ob0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ob0 OCA], [https://pdbe.org/4ob0 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ob0 RCSB], [https://www.ebi.ac.uk/pdbsum/4ob0 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ob0 ProSAT]</span></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ob1\|4ob1]]~~, ~~[[4ob2\|4ob2]], [[4ob3\|4ob3]]~~<~~/td></tr>~~	+
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b></td><td class="sblockDat"><span class='plainlinks~~'>~~[http://en.wikipedia.org/wiki/Nitrile_hydratase Nitrile hydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.84 4.2.1.84]~~ </~~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=4ob0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ob0 OCA], [~~http~~://pdbe.org/4ob0 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4ob0 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4ob0 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4ob0 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/NHAA_PSETH NHAA_PSETH~~]] NHase catalyzes the hydration of various nitrile compounds to the corresponding amides. [[http://www.uniprot.org/uniprot/NHAB_PSETH NHAB_PSETH]~~] NHase catalyzes the hydration of various nitrile compounds to the corresponding amides.	+	[https://www.uniprot.org/uniprot/NHAA_PSETH NHAA_PSETH] NHase catalyzes the hydration of various nitrile compounds to the corresponding amides.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Atcc 19285]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Nitrile hydratase~~]]	+	[[Category: Pseudonocardia thermophila]]
-	[[Category: Dali, L]]	+	[[Category: Dali L]]
-	[[Category: Richard, H]]	+	[[Category: Richard H]]
-	[[Category: Rui, W]]	+	[[Category: Rui W]]
-	[[Category: Ruslan, S]]	+	[[Category: Ruslan S]]
-	[[Category: Salette, M]]	+	[[Category: Salette M]]
-	~~[[Category: Lyase]]~~	+
-	~~[[Category: Nucleophile~~]]	+

OCA at 08:13, 10 April 2019

OCA — Wed, 10 Apr 2019 08:13:45 GMT

←Older revision		Revision as of 08:13, 10 April 2019
Line 1:		Line 1:

	==Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Phenyl Boronic Acid==		==Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Phenyl Boronic Acid==
-	<StructureSection load='4ob0' size='340' side='right' caption='[[4ob0]], [[Resolution\|resolution]] 1.20Å' scene=''>	+	<StructureSection load='4ob0' size='340' side='right'caption='[[4ob0]], [[Resolution\|resolution]] 1.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4ob0]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OB0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4OB0 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4ob0]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Atcc_19285 Atcc 19285]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OB0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4OB0 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene>, <scene name='pdbligand=PBC:PHENYL+BORONIC+ACID'>PBC</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene>, <scene name='pdbligand=PBC:PHENYL+BORONIC+ACID'>PBC</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSD:3-SULFINOALANINE'>CSD</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSD:3-SULFINOALANINE'>CSD</scene></td></tr>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Atcc 19285]]
		+	[[Category: Large Structures]]
	[[Category: Nitrile hydratase]]		[[Category: Nitrile hydratase]]
	[[Category: Dali, L]]		[[Category: Dali, L]]

OCA at 01:21, 5 August 2016

OCA — Fri, 05 Aug 2016 01:21:26 GMT

←Older revision		Revision as of 01:21, 5 August 2016
Line 1:		Line 1:
		+
	==Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Phenyl Boronic Acid==		==Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Phenyl Boronic Acid==
	<StructureSection load='4ob0' size='340' side='right' caption='[[4ob0]], [[Resolution\|resolution]] 1.20Å' scene=''>		<StructureSection load='4ob0' size='340' side='right' caption='[[4ob0]], [[Resolution\|resolution]] 1.20Å' scene=''>
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	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ob1\|4ob1]], [[4ob2\|4ob2]], [[4ob3\|4ob3]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ob1\|4ob1]], [[4ob2\|4ob2]], [[4ob3\|4ob3]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitrile_hydratase Nitrile hydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.84 4.2.1.84] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitrile_hydratase Nitrile hydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.84 4.2.1.84] </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=4ob0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ob0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ob0 RCSB], [http://www.ebi.ac.uk/pdbsum/4ob0 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=4ob0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ob0 OCA], [http://pdbe.org/4ob0 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4ob0 RCSB], [http://www.ebi.ac.uk/pdbsum/4ob0 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4ob0 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 4ob0" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Nitrile hydratase\|Nitrile hydratase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 21:34, 24 December 2014

OCA — Wed, 24 Dec 2014 21:34:07 GMT

←Older revision		Revision as of 21:34, 24 December 2014
Line 9:		Line 9:
	<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=4ob0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ob0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ob0 RCSB], [http://www.ebi.ac.uk/pdbsum/4ob0 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=4ob0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ob0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ob0 RCSB], [http://www.ebi.ac.uk/pdbsum/4ob0 PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/NHAA_PSETH NHAA_PSETH]] NHase catalyzes the hydration of various nitrile compounds to the corresponding amides. [[http://www.uniprot.org/uniprot/NHAB_PSETH NHAB_PSETH]] NHase catalyzes the hydration of various nitrile compounds to the corresponding amides.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 07:54, 26 November 2014

OCA — Wed, 26 Nov 2014 07:54:11 GMT

←Older revision		Revision as of 07:54, 26 November 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Phenyl Boronic Acid==
		+	<StructureSection load='4ob0' size='340' side='right' caption='[[4ob0]], [[Resolution\|resolution]] 1.20Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4ob0]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OB0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4OB0 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CO:COBALT+(II)+ION'>CO</scene>, <scene name='pdbligand=PBC:PHENYL+BORONIC+ACID'>PBC</scene></td></tr>
		+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSD:3-SULFINOALANINE'>CSD</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ob1\|4ob1]], [[4ob2\|4ob2]], [[4ob3\|4ob3]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Nitrile_hydratase Nitrile hydratase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.2.1.84 4.2.1.84] </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=4ob0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ob0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4ob0 RCSB], [http://www.ebi.ac.uk/pdbsum/4ob0 PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Nitrile hydratase (NHase) catalyzes the hydration of nitriles to their corresponding commercially valuable amides at ambient temperatures and physiological pH. Several reaction mechanisms have been proposed for NHase enzymes; however, the source of the nucleophile remains a mystery. Boronic acids have been shown to be potent inhibitors of numerous hydrolytic enzymes due to the open shell of boron, which allows it to expand from a trigonal planar (sp(2)) form to a tetrahedral form (sp(3)). Therefore, we examined the inhibition of the Co-type NHase from Pseudonocardia thermophila JCM 3095 (PtNHase) by boronic acids via kinetics and X-ray crystallography. Both 1-butaneboronic acid (BuBA) and phenylboronic acid (PBA) function as potent competitive inhibitors of PtNHase. X-ray crystal structures for BuBA and PBA complexed to PtNHase were solved and refined at 1.5, 1.6, and 1.2 A resolution. The resulting PtNHase-boronic acid complexes represent a "snapshot" of reaction intermediates and implicate the cysteine-sulfenic acid ligand as the catalytic nucleophile, a heretofore unknown role for the alphaCys(113)-OH sulfenic acid ligand. Based on these data, a new mechanism of action for the hydration of nitriles by NHase is presented.

-	The ~~entry 4ob0 is ON HOLD until Paper Publication~~	+	The active site sulfenic acid ligand in nitrile hydratases can function as a nucleophile.,Martinez S, Wu R, Sanishvili R, Liu D, Holz R J Am Chem Soc. 2014 Jan 29;136(4):1186-9. doi: 10.1021/ja410462j. Epub 2014 Jan, 13. PMID:24383915<ref>PMID:24383915</ref>

-	~~Authors: Rui~~, W.~~, Salette, M., Ruslan,~~ S., Richard, H., ~~Dali~~, L.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Phenyl Boronic Acid~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Nitrile hydratase]]
		+	[[Category: Dali, L]]
		+	[[Category: Richard, H]]
		+	[[Category: Rui, W]]
		+	[[Category: Ruslan, S]]
		+	[[Category: Salette, M]]
		+	[[Category: Lyase]]
		+	[[Category: Nucleophile]]

OCA at 10:26, 5 February 2014

OCA — Wed, 05 Feb 2014 10:26:13 GMT

←Older revision		Revision as of 10:26, 5 February 2014
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 4ob0 is ON HOLD	+	The entry 4ob0 is ON HOLD until Paper Publication

	Authors: Rui, W., Salette, M., Ruslan, S., Richard, H., Dali, L.		Authors: Rui, W., Salette, M., Ruslan, S., Richard, H., Dali, L.

	Description: Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Phenyl Boronic Acid		Description: Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Phenyl Boronic Acid

OCA: Protected "4ob0" [edit=sysop:move=sysop]

OCA — Wed, 15 Jan 2014 07:44:33 GMT

Protected "4ob0" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:44, 15 January 2014

OCA: New page: '''Unreleased structure''' The entry 4ob0 is ON HOLD Authors: Rui, W., Salette, M., Ruslan, S., Richard, H., Dali, L. Description: Crystal Structure of Nitrile Hydratase from Pseudonoc...

OCA — Wed, 15 Jan 2014 07:44:32 GMT

New page: '''Unreleased structure''' The entry 4ob0 is ON HOLD Authors: Rui, W., Salette, M., Ruslan, S., Richard, H., Dali, L. Description: Crystal Structure of Nitrile Hydratase from Pseudonoc...

New page

'''Unreleased structure'''

The entry 4ob0 is ON HOLD

Authors: Rui, W., Salette, M., Ruslan, S., Richard, H., Dali, L.

Description: Crystal Structure of Nitrile Hydratase from Pseudonocardia thermophila bound to Phenyl Boronic Acid