6cpa - Revision history

OCA at 09:00, 11 November 2020

2020-11-11T09:00:27Z

←Older revision		Revision as of 09:00, 11 November 2020
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	==CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES==		==CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES==
-	<StructureSection load='6cpa' size='340' side='right' caption='[[6cpa]], [[Resolution\|resolution]] 2.00Å' scene=''>	+	<StructureSection load='6cpa' size='340' side='right'caption='[[6cpa]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6cpa]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CPA OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6CPA FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6cpa]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CPA OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6CPA FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ZAF:O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC+ACID'>ZAF</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ZAF:O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC+ACID'>ZAF</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carboxypeptidase_A Carboxypeptidase A], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.17.1 3.4.17.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carboxypeptidase_A Carboxypeptidase A], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.17.1 3.4.17.1] </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=6cpa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cpa OCA], [http://pdbe.org/6cpa PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cpa RCSB], [http://www.ebi.ac.uk/pdbsum/6cpa PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cpa 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=6cpa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cpa OCA], [http://pdbe.org/6cpa PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cpa RCSB], [http://www.ebi.ac.uk/pdbsum/6cpa PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cpa ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 14:		Line 14:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/cp/6cpa_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/cp/6cpa_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>
Line 31:		Line 31:

	==See Also==		==See Also==
-	*[[Carboxypeptidase\|Carboxypeptidase]]	+	*[[Carboxypeptidase 3D structures\|Carboxypeptidase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 38:		Line 38:
	[[Category: Bovin]]		[[Category: Bovin]]
	[[Category: Carboxypeptidase A]]		[[Category: Carboxypeptidase A]]
		+	[[Category: Large Structures]]
	[[Category: Kim, H]]		[[Category: Kim, H]]
	[[Category: Lipscomb, W N]]		[[Category: Lipscomb, W N]]

OCA at 18:09, 5 August 2016

2016-08-05T18:09:42Z

←Older revision		Revision as of 18:09, 5 August 2016
Line 1:		Line 1:
		+
	==CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES==		==CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES==
	<StructureSection load='6cpa' size='340' side='right' caption='[[6cpa]], [[Resolution\|resolution]] 2.00Å' scene=''>		<StructureSection load='6cpa' size='340' side='right' caption='[[6cpa]], [[Resolution\|resolution]] 2.00Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6cpa]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Bos_taurus Bos taurus~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CPA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CPA FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6cpa]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bovin Bovin]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CPA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CPA FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ZAF:O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC+ACID'>ZAF</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ZAF:O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC+ACID'>ZAF</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carboxypeptidase_A Carboxypeptidase A], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.17.1 3.4.17.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carboxypeptidase_A Carboxypeptidase A], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.17.1 3.4.17.1] </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=6cpa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cpa OCA], [http://www.rcsb.org/pdb/explore.do?structureId=6cpa RCSB], [http://www.ebi.ac.uk/pdbsum/6cpa 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=6cpa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cpa OCA], [http://pdbe.org/6cpa PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6cpa RCSB], [http://www.ebi.ac.uk/pdbsum/6cpa PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6cpa ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 18:
	<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=6cpa ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 27:		Line 28:
	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 6cpa" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 34:		Line 36:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Bos taurus~~]]	+	[[Category: Bovin]]
	[[Category: Carboxypeptidase A]]		[[Category: Carboxypeptidase A]]
	[[Category: Kim, H]]		[[Category: Kim, H]]
	[[Category: Lipscomb, W N]]		[[Category: Lipscomb, W N]]

OCA at 20:52, 25 December 2014

2014-12-25T20:52:16Z

←Older revision		Revision as of 20:52, 25 December 2014
Line 7:		Line 7:
	<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=6cpa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cpa OCA], [http://www.rcsb.org/pdb/explore.do?structureId=6cpa RCSB], [http://www.ebi.ac.uk/pdbsum/6cpa 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=6cpa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cpa OCA], [http://www.rcsb.org/pdb/explore.do?structureId=6cpa RCSB], [http://www.ebi.ac.uk/pdbsum/6cpa PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CBPA1_BOVIN CBPA1_BOVIN]] Carboxypeptidase that catalyzes the release of a C-terminal amino acid, but has little or no action with -Asp, -Glu, -Arg, -Lys or -Pro (By similarity).
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]

OCA at 17:05, 10 December 2014

2014-12-10T17:05:03Z

←Older revision		Revision as of 17:05, 10 December 2014
Line 1:		Line 1:
-	[[~~Image~~:6cpa.~~png\|left~~\|200px]]	+	==CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES==
		+	<StructureSection load='6cpa' size='340' side='right' caption='[[6cpa]], [[Resolution\|resolution]] 2.00Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6cpa]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CPA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6CPA FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ZAF:O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC+ACID'>ZAF</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Carboxypeptidase_A Carboxypeptidase A], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.17.1 3.4.17.1] </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=6cpa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6cpa OCA], [http://www.rcsb.org/pdb/explore.do?structureId=6cpa RCSB], [http://www.ebi.ac.uk/pdbsum/6cpa 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/cp/6cpa_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 ==
		+	O-[[(1R)-[[N-(Phenylmethoxycarbonyl)-L-alanyl]amino]ethyl] hydroxyphosphinyl]-L-3-phenyllacetate [ZAAP(O)F], an analogue of (benzyloxycarbonyl)-Ala-Ala-Phe or (benzyloxycarbonyl)-Ala-Ala-phenyllactate, binds to carboxypeptidase A with great affinity (Ki = 3 pM). Similar phosphonates have been shown to be transition-state analogues of the CPA-catalyzed hydrolysis [Hanson, J. E., Kaplan, A. P., & Bartlett, P. A. (1989) Biochemistry 28, 6294-6305]. In the present study, the structure of the complex of this phosphonate with carboxypeptidase A has been determined by X-ray crystallography to a resolution of 2.0 A. The complex crystallizes in the space group P2(1)2(1)2(1) with cell dimensions a = 61.9 A, b = 67.2 A, and c = 76.2 A. The structure of the complex was solved by molecular replacement. Refinement of the structure against 20,776 unique reflections between 10.0 and 2.0 A yields a crystallographic residual of 0.193, including 140 water molecules. The two phosphinyl oxygens of the inhibitor bind to the active-site zinc at 2.2 A on the electrophilic (Arg-127) side and 3.1 A on the nucleophilic (Glu-270) side. Various features of the binding mode of this phosphonate inhibitor are consistent with the hypothesis that carboxypeptidase A catalyzed hydrolysis proceeds through a general-base mechanism in which the carbonyl carbon of the substrate is attacked by Zn-hydroxyl (or Zn-water). An unexpected feature of the bound inhibitor, the cis carbamoyl ester bond at the benzyloxycarbonyl linkage to alanine, allows the benzyloxycarbonyl phenyl ring of the inhibitor to interact favorably with Tyr-198. This complex structure is compared with previous structures of carboxypeptidase A, including the complexes with the potato inhibitor, a hydrated keto methylene substrate analogue, and a phosphonamidate inhibitor. Comparisons are also made with the complexes of thermolysin with some phosphonamidate inhibitors.

-	~~{{STRUCTURE_6cpa\| PDB=6cpa \| SCENE= }}~~	+	Crystal structure of the complex of carboxypeptidase A with a strongly bound phosphonate in a new crystalline form: comparison with structures of other complexes.,Kim H, Lipscomb WN Biochemistry. 1990 Jun 12;29(23):5546-55. PMID:2386784<ref>PMID:2386784</ref>

-	~~===CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_2386784}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[6cpa]] is~~ a ~~1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org/wiki/Bos_taurus Bos taurus]~~. ~~Full crystallographic information is available from [http:~~/~~/oca.weizmann.ac.il/oca-bin/ocashort?id=6CPA OCA].~~	+

	==See Also==		==See Also==
	*[[Carboxypeptidase\|Carboxypeptidase]]		*[[Carboxypeptidase\|Carboxypeptidase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:002386784<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: Carboxypeptidase A]]		[[Category: Carboxypeptidase A]]
-	[[Category: Kim, H.]]	+	[[Category: Kim, H]]
-	[[Category: Lipscomb, W N.]]	+	[[Category: Lipscomb, W N]]

OCA at 21:29, 20 October 2012

2012-10-20T21:29:31Z

←Older revision		Revision as of 21:29, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[6cpa]] is a 1 chain structure ~~of [[Carboxypeptidase]]~~ with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CPA OCA].	+	[[6cpa]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CPA OCA].

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

OCA: Protected "6cpa" [edit=sysop:move=sysop]

2012-07-27T13:24:57Z

Protected "6cpa" [edit=sysop:move=sysop]

←Older revision

Revision as of 13:24, 27 July 2012

OCA at 13:24, 27 July 2012

2012-07-27T13:24:55Z

←Older revision		Revision as of 13:24, 27 July 2012
Line 1:		Line 1:
-	{{Seed}}
	[[Image:6cpa.png\|left\|200px]]		[[Image:6cpa.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_6cpa", 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_6cpa\| PDB=6cpa \| SCENE= }}		{{STRUCTURE_6cpa\| PDB=6cpa \| SCENE= }}

	===CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES===		===CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_2386784}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 2386784 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_2386784}}		{{ABSTRACT_PUBMED_2386784}}

	==About this Structure==		==About this Structure==
-	~~6CPA~~ is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CPA OCA].	+	[[6cpa]] is a 1 chain structure of [[Carboxypeptidase]] with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CPA OCA].
		+
		+	==See Also==
		+	*[[Carboxypeptidase\|Carboxypeptidase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~2386784~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:002386784</ref><references group="xtra"/>
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: Carboxypeptidase A]]		[[Category: Carboxypeptidase A]]
	[[Category: Kim, H.]]		[[Category: Kim, H.]]
	[[Category: Lipscomb, W N.]]		[[Category: Lipscomb, W N.]]
-
-	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Feb 18 06:52:24 2009''

OCA at 04:52, 18 February 2009

2009-02-18T04:52:25Z

←Older revision		Revision as of 04:52, 18 February 2009
Line 20:		Line 20:

	==About this Structure==		==About this Structure==
-	6CPA is a ~~[[Single protein]]~~ structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CPA OCA].	+	6CPA is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6CPA OCA].

	==Reference==		==Reference==
-	Crystal structure of the complex of carboxypeptidase A with a strongly bound phosphonate in a new crystalline form: comparison with structures of other complexes., Kim H, Lipscomb WN, Biochemistry. 1990 Jun 12;29(23):5546-55. PMID:~~[http:~~//~~www.ncbi.nlm.nih.gov/pubmed/2386784 2386784]~~	+	<ref group="xtra">PMID:2386784</ref><references group="xtra"/>
	[[Category: Bos taurus]]		[[Category: Bos taurus]]
	[[Category: Carboxypeptidase A]]		[[Category: Carboxypeptidase A]]
-	[[Category: Single protein]]
	[[Category: Kim, H.]]		[[Category: Kim, H.]]
	[[Category: Lipscomb, W N.]]		[[Category: Lipscomb, W N.]]

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OCA at 11:16, 3 July 2008

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	{{STRUCTURE_6cpa\| PDB=6cpa \| SCENE= }}		{{STRUCTURE_6cpa\| PDB=6cpa \| SCENE= }}

-	~~'''~~CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES~~'''~~	+	===CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES===


-	~~==Overview==~~	+	<!--
-	O-~~[[(1R)~~-~~[[N-(Phenylmethoxycarbonyl)-L-alanyl]amino]ethyl] hydroxyphosphinyl]-L-3-phenyllacetate [ZAAP(O)F]~~, ~~an analogue of (benzyloxycarbonyl)-Ala-Ala-Phe or (benzyloxycarbonyl)-Ala-Ala-phenyllactate~~, ~~binds to carboxypeptidase A with great affinity (Ki = 3 pM). Similar phosphonates have been shown to be transition-state analogues of~~ the CPA-catalyzed hydrolysis [Hanson, J. E., Kaplan, A. P., & Bartlett, P. A. (1989) Biochemistry 28, 6294-6305]. In the present study, the structure of the complex of this phosphonate with carboxypeptidase A has been determined by X-ray crystallography to ~~a resolution of 2.0 A. The complex crystallizes in~~ the ~~space group P2~~(1)2(1)2(1) with cell dimensions a = 61.9 A, b = 67.2 A, and c = 76.2 A. The structure of the complex was solved by molecular replacement. Refinement of the structure against 20,776 unique reflections between 10.0 and 2.0 A yields a crystallographic residual of 0.193, including 140 water molecules. The two phosphinyl oxygens of the inhibitor bind to the active-site zinc at 2.~~2 A on the electrophilic (Arg-127) side and 3~~.~~1 A on the nucleophilic (Glu-270~~) side. Various features of the binding mode of this phosphonate inhibitor are consistent with the hypothesis that carboxypeptidase A catalyzed hydrolysis proceeds through a general-base mechanism in which the carbonyl carbon of the substrate is attacked by Zn-hydroxyl (or Zn-water). An unexpected feature of the bound inhibitor, ~~the cis carbamoyl ester bond at the benzyloxycarbonyl linkage to alanine, allows the benzyloxycarbonyl phenyl ring of the inhibitor to interact favorably with Tyr-198. This complex structure~~ is ~~compared with previous structures of carboxypeptidase A, including~~ the complexes with the potato inhibitor, a hydrated keto methylene substrate analogue, and a phosphonamidate inhibitor. Comparisons are also made with the complexes of thermolysin with some phosphonamidate inhibitors.	+	The line below this paragraph, {{ABSTRACT_PUBMED_2386784}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 2386784 is the PubMed ID number.
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		+	{{ABSTRACT_PUBMED_2386784}}

	==About this Structure==		==About this Structure==
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	[[Category: Kim, H.]]		[[Category: Kim, H.]]
	[[Category: Lipscomb, W N.]]		[[Category: Lipscomb, W N.]]
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OCA at 19:39, 4 May 2008

2008-05-04T19:39:48Z

←Older revision		Revision as of 19:39, 4 May 2008
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	[[Image:6cpa.gif\|left\|200px]]		[[Image:6cpa.gif\|left\|200px]]

-	~~{{Structure~~	+	<!--
-	~~\|PDB= 6cpa \|SIZE=350\|CAPTION= <scene name='initialview01'>6cpa</scene>~~, ~~resolution 2~~.~~0Å~~	+	The line below this paragraph, containing "STRUCTURE_6cpa", creates the "Structure Box" on the page.
-	~~\|SITE=~~	+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	~~\|LIGAND= <scene name='pdbligand=ZAF:O-~~(~~((1R~~)-(~~(N-PHENYLMETHOXYCARBONYL-L-ALANYL~~)~~AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC+ACID'>ZAF</scene>~~, ~~<scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>~~	+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	~~\|ACTIVITY= <span class='plainlinks'>[http://en~~.~~wikipedia.org/wiki/Carboxypeptidase_A Carboxypeptidase A], with EC number [http://www.brenda~~-~~enzymes.info/php/result_flat.php4?ecno=3.4.17.1 3.4.17.1] </span~~>	+	or leave the SCENE parameter empty for the default display.
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-	}}	+

	'''CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES'''		'''CRYSTAL STRUCTURE OF THE COMPLEX OF CARBOXYPEPTIDASE A WITH A STRONGLY BOUND PHOSPHONATE IN A NEW CRYSTALLINE FORM: COMPARISON WITH STRUCTURES OF OTHER COMPLEXES'''
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	[[Category: Kim, H.]]		[[Category: Kim, H.]]
	[[Category: Lipscomb, W N.]]		[[Category: Lipscomb, W N.]]
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