5mpk - Revision history

OCA at 17:43, 8 November 2023

2023-11-08T17:43:18Z

←Older revision		Revision as of 17:43, 8 November 2023
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	<StructureSection load='5mpk' size='340' side='right'caption='[[5mpk]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='5mpk' size='340' side='right'caption='[[5mpk]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5mpk]] is a 2 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=5MPK OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5MPK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5mpk]] is a 2 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=5MPK OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5MPK FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0BC:~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide'>0BC</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]] 1.9Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CREBBP, CBP ([http://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=0BC:~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide'>0BC</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Histone_acetyltransferase Histone acetyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.48 2.3.1.48] </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=5mpk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mpk OCA], [https://pdbe.org/5mpk PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5mpk RCSB], [https://www.ebi.ac.uk/pdbsum/5mpk PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5mpk ProSAT]</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=5mpk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mpk OCA], [~~http~~://pdbe.org/5mpk PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5mpk RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5mpk PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5mpk ProSAT]</span></td></tr>	+
	</table>		</table>
	== Disease ==		== Disease ==
-	[~~[http~~://www.uniprot.org/uniprot/CBP_HUMAN CBP_HUMAN]] Note=Chromosomal aberrations involving CREBBP may be a cause of acute myeloid leukemias. Translocation t(8;16)(p11;p13) with KAT6A; translocation t(11;16)(q23;p13.3) with MLL/HRX; translocation t(10;16)(q22;p13) with KAT6B. KAT6A-CREBBP may induce leukemia by inhibiting RUNX1-mediated transcription. Defects in CREBBP are a cause of Rubinstein-Taybi syndrome type 1 (RSTS1) [MIM:[~~http~~://omim.org/entry/180849 180849]]. RSTS1 is an autosomal dominant disorder characterized by craniofacial abnormalities, broad thumbs, broad big toes, mental retardation and a propensity for development of malignancies.<ref>PMID:11331617</ref> <ref>PMID:12114483</ref> <ref>PMID:12566391</ref> <ref>PMID:15706485</ref>	+	[https://www.uniprot.org/uniprot/CBP_HUMAN CBP_HUMAN] Note=Chromosomal aberrations involving CREBBP may be a cause of acute myeloid leukemias. Translocation t(8;16)(p11;p13) with KAT6A; translocation t(11;16)(q23;p13.3) with MLL/HRX; translocation t(10;16)(q22;p13) with KAT6B. KAT6A-CREBBP may induce leukemia by inhibiting RUNX1-mediated transcription. Defects in CREBBP are a cause of Rubinstein-Taybi syndrome type 1 (RSTS1) [MIM:[https://omim.org/entry/180849 180849]. RSTS1 is an autosomal dominant disorder characterized by craniofacial abnormalities, broad thumbs, broad big toes, mental retardation and a propensity for development of malignancies.<ref>PMID:11331617</ref> <ref>PMID:12114483</ref> <ref>PMID:12566391</ref> <ref>PMID:15706485</ref>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CBP_HUMAN CBP_HUMAN]] Acetylates histones, giving a specific tag for transcriptional activation. Also acetylates non-histone proteins, like NCOA3 and FOXO1. Binds specifically to phosphorylated CREB and enhances its transcriptional activity toward cAMP-responsive genes. Acts as a coactivator of ALX1 in the presence of EP300.<ref>PMID:9707565</ref> <ref>PMID:11154691</ref> <ref>PMID:12738767</ref> <ref>PMID:12929931</ref>	+	[https://www.uniprot.org/uniprot/CBP_HUMAN CBP_HUMAN] Acetylates histones, giving a specific tag for transcriptional activation. Also acetylates non-histone proteins, like NCOA3 and FOXO1. Binds specifically to phosphorylated CREB and enhances its transcriptional activity toward cAMP-responsive genes. Acts as a coactivator of ALX1 in the presence of EP300.<ref>PMID:9707565</ref> <ref>PMID:11154691</ref> <ref>PMID:12738767</ref> <ref>PMID:12929931</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 5mpk" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5mpk" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[CREB-binding protein 3D structures\|CREB-binding protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Histone acetyltransferase]]~~	+	[[Category: Homo sapiens]]
-	~~[[Category: Human~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Caflisch, A]]	+	[[Category: Caflisch A]]
-	[[Category: Zhu, J]]	+	[[Category: Zhu J]]
-	~~[[Category: Crebbp bromodomain]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Transcription~~]]	+

OCA at 06:37, 16 October 2019

2019-10-16T06:37:21Z

←Older revision		Revision as of 06:37, 16 October 2019
Line 1:		Line 1:

	==Crystal structure of CREBBP bromodomain complexed with DK19==		==Crystal structure of CREBBP bromodomain complexed with DK19==
-	<StructureSection load='5mpk' size='340' side='right' caption='[[5mpk]], [[Resolution\|resolution]] 1.90Å' scene=''>	+	<StructureSection load='5mpk' size='340' side='right'caption='[[5mpk]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5mpk]] is a 2 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=5MPK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5MPK FirstGlance]. <br>		<table><tr><td colspan='2'>[[5mpk]] is a 2 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=5MPK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5MPK FirstGlance]. <br>
Line 28:		Line 28:
	[[Category: Histone acetyltransferase]]		[[Category: Histone acetyltransferase]]
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Caflisch, A]]		[[Category: Caflisch, A]]
	[[Category: Zhu, J]]		[[Category: Zhu, J]]

OCA at 08:23, 10 October 2018

2018-10-10T08:23:06Z

←Older revision		Revision as of 08:23, 10 October 2018
Line 13:		Line 13:
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/CBP_HUMAN CBP_HUMAN]] Acetylates histones, giving a specific tag for transcriptional activation. Also acetylates non-histone proteins, like NCOA3 and FOXO1. Binds specifically to phosphorylated CREB and enhances its transcriptional activity toward cAMP-responsive genes. Acts as a coactivator of ALX1 in the presence of EP300.<ref>PMID:9707565</ref> <ref>PMID:11154691</ref> <ref>PMID:12738767</ref> <ref>PMID:12929931</ref>		[[http://www.uniprot.org/uniprot/CBP_HUMAN CBP_HUMAN]] Acetylates histones, giving a specific tag for transcriptional activation. Also acetylates non-histone proteins, like NCOA3 and FOXO1. Binds specifically to phosphorylated CREB and enhances its transcriptional activity toward cAMP-responsive genes. Acts as a coactivator of ALX1 in the presence of EP300.<ref>PMID:9707565</ref> <ref>PMID:11154691</ref> <ref>PMID:12738767</ref> <ref>PMID:12929931</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	We analyze 20 crystal structures of complexes between the CBP bromodomain and small-molecule ligands that belong to eight different chemotypes identified by docking. The binding motif of the moiety that mimics the natural ligand (acetylated side chain of lysine) at the bottom of the binding pocket is conserved. In stark contrast, the rest of the ligands form different interactions with different side chains and backbone polar groups on the outer rim of the binding pocket. Hydrogen bonds are direct or water-bridged. van der Waals contacts are optimized by rotations of hydrophobic side chains and a slight inward displacement of the ZA loop. Rare types of interactions are observed for some of the ligands.
		+
		+	Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.,Zhu J, Dong J, Batiste L, Unzue A, Dolbois A, Pascanu V, Sledz P, Nevado C, Caflisch A ACS Med Chem Lett. 2018 Aug 8;9(9):929-934. doi: 10.1021/acsmedchemlett.8b00286. , eCollection 2018 Sep 13. PMID:30258543<ref>PMID:30258543</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5mpk" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 07:47, 29 August 2018

2018-08-29T07:47:06Z

←Older revision		Revision as of 07:47, 29 August 2018
Line 3:		Line 3:
	<StructureSection load='5mpk' size='340' side='right' caption='[[5mpk]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='5mpk' size='340' side='right' caption='[[5mpk]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5mpk]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MPK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5MPK FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5mpk]] is a 2 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=5MPK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5MPK FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0BC:~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide'>0BC</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0BC:~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide'>0BC</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CREBBP, CBP ([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/Histone_acetyltransferase Histone acetyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.48 2.3.1.48] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Histone_acetyltransferase Histone acetyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.48 2.3.1.48] </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=5mpk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mpk OCA], [http://pdbe.org/5mpk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5mpk RCSB], [http://www.ebi.ac.uk/pdbsum/5mpk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5mpk ProSAT]</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=5mpk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mpk OCA], [http://pdbe.org/5mpk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5mpk RCSB], [http://www.ebi.ac.uk/pdbsum/5mpk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5mpk ProSAT]</span></td></tr>
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	</StructureSection>		</StructureSection>
	[[Category: Histone acetyltransferase]]		[[Category: Histone acetyltransferase]]
		+	[[Category: Human]]
	[[Category: Caflisch, A]]		[[Category: Caflisch, A]]
	[[Category: Zhu, J]]		[[Category: Zhu, J]]

OCA at 06:47, 17 January 2018

2018-01-17T06:47:02Z

←Older revision		Revision as of 06:47, 17 January 2018
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5mpk is ~~ON HOLD~~	+	==Crystal structure of CREBBP bromodomain complexed with DK19==
-		+	<StructureSection load='5mpk' size='340' side='right' caption='[[5mpk]], [[Resolution\|resolution]] 1.90Å' scene=''>
-	~~Authors~~: ~~Zhu~~, J., ~~Caflisch~~, A.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5mpk]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5MPK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5MPK FirstGlance]. <br>
-	~~Description~~: ~~Crystal structure of~~ CREBBP ~~bromodomain complexed~~ with ~~DK19~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=0BC:~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide'>0BC</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Histone_acetyltransferase Histone acetyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.48 2.3.1.48] </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=5mpk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5mpk OCA], [http://pdbe.org/5mpk PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5mpk RCSB], [http://www.ebi.ac.uk/pdbsum/5mpk PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5mpk ProSAT]</span></td></tr>
		+	</table>
		+	== Disease ==
		+	[[http://www.uniprot.org/uniprot/CBP_HUMAN CBP_HUMAN]] Note=Chromosomal aberrations involving CREBBP may be a cause of acute myeloid leukemias. Translocation t(8;16)(p11;p13) with KAT6A; translocation t(11;16)(q23;p13.3) with MLL/HRX; translocation t(10;16)(q22;p13) with KAT6B. KAT6A-CREBBP may induce leukemia by inhibiting RUNX1-mediated transcription. Defects in CREBBP are a cause of Rubinstein-Taybi syndrome type 1 (RSTS1) [MIM:[http://omim.org/entry/180849 180849]]. RSTS1 is an autosomal dominant disorder characterized by craniofacial abnormalities, broad thumbs, broad big toes, mental retardation and a propensity for development of malignancies.<ref>PMID:11331617</ref> <ref>PMID:12114483</ref> <ref>PMID:12566391</ref> <ref>PMID:15706485</ref>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CBP_HUMAN CBP_HUMAN]] Acetylates histones, giving a specific tag for transcriptional activation. Also acetylates non-histone proteins, like NCOA3 and FOXO1. Binds specifically to phosphorylated CREB and enhances its transcriptional activity toward cAMP-responsive genes. Acts as a coactivator of ALX1 in the presence of EP300.<ref>PMID:9707565</ref> <ref>PMID:11154691</ref> <ref>PMID:12738767</ref> <ref>PMID:12929931</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Histone acetyltransferase]]
		+	[[Category: Caflisch, A]]
	[[Category: Zhu, J]]		[[Category: Zhu, J]]
-	[[Category: ~~Caflisch, A~~]]	+	[[Category: Crebbp bromodomain]]
		+	[[Category: Inhibitor]]
		+	[[Category: Transcription]]

OCA at 11:31, 9 March 2017

2017-03-09T11:31:47Z

←Older revision		Revision as of 11:31, 9 March 2017
Line 7:		Line 7:
	Description: Crystal structure of CREBBP bromodomain complexed with DK19		Description: Crystal structure of CREBBP bromodomain complexed with DK19
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: Caflisch, A]]
	[[Category: Zhu, J]]		[[Category: Zhu, J]]
		+	[[Category: Caflisch, A]]

OCA: Protected "5mpk" [edit=sysop:move=sysop]

2017-01-02T13:49:53Z

Protected "5mpk" [edit=sysop:move=sysop]

←Older revision

Revision as of 13:49, 2 January 2017

OCA: New page: '''Unreleased structure''' The entry 5mpk is ON HOLD Authors: Zhu, J., Caflisch, A. Description: Crystal structure of CREBBP bromodomain complexed with DK19 [[Category: Unreleased Stru...

2017-01-02T13:49:52Z

New page: '''Unreleased structure''' The entry 5mpk is ON HOLD Authors: Zhu, J., Caflisch, A. Description: Crystal structure of CREBBP bromodomain complexed with DK19 [[Category: Unreleased Stru...

New page

'''Unreleased structure'''

The entry 5mpk is ON HOLD

Authors: Zhu, J., Caflisch, A.

Description: Crystal structure of CREBBP bromodomain complexed with DK19
[[Category: Unreleased Structures]]
[[Category: Caflisch, A]]
[[Category: Zhu, J]]