1pau

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (06:31, 9 August 2023) (edit) (undo)
 
(19 intermediate revisions not shown.)
Line 1: Line 1:
-
[[Image:1pau.gif|left|200px]]<br />
 
-
<applet load="1pau" size="450" color="white" frame="true" align="right" spinBox="true"
 
-
caption="1pau, resolution 2.5&Aring;" />
 
-
'''CRYSTAL STRUCTURE OF THE COMPLEX OF APOPAIN WITH THE TETRAPEPTIDE ALDEHYDE INHIBITOR AC-DEVD-CHO'''<br />
 
-
==Overview==
+
==Crystal structure of the complex of apopain with the tetrapeptide aldehyde inhibitor AC-DEVD-CHO==
-
Cysteine proteases related to mammalian interleukin-1 beta converting, enzyme (ICE) and to its Caenorhabditis elegans homologue, CED-3, play a, critical role in the biochemical events that culminate in apoptosis. We, have determined the three-dimensional structure of a complex of the human, CED-3 homologue CPP32/apopain with a potent tetrapeptide-aldehyde, inhibitor. The protein resembles ICE in overall structure, but its S4, subsite is strikingly different in size and chemical composition. These, differences account for the variation in specificity between the ICE- and, CED-3-related proteases and enable the design of specific inhibitors that, can probe the physiological functions of the proteins and disease states, with which they are associated.
+
<StructureSection load='1pau' size='340' side='right'caption='[[1pau]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
 +
== Structural highlights ==
 +
<table><tr><td colspan='2'>[[1pau]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. The August 2004 RCSB PDB [https://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/index.html Molecule of the Month] feature on ''Caspases'' by David S. Goodsell is [https://dx.doi.org/10.2210/rcsb_pdb/mom_2004_8 10.2210/rcsb_pdb/mom_2004_8]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1PAU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1PAU FirstGlance]. <br>
 +
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.5&#8491;</td></tr>
 +
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=ASJ:(3S)-3-AMINO-4-HYDROXYBUTANOIC+ACID'>ASJ</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=1pau FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1pau OCA], [https://pdbe.org/1pau PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1pau RCSB], [https://www.ebi.ac.uk/pdbsum/1pau PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1pau ProSAT]</span></td></tr>
 +
</table>
 +
== Function ==
 +
[https://www.uniprot.org/uniprot/CASP3_HUMAN CASP3_HUMAN] Involved in the activation cascade of caspases responsible for apoptosis execution. At the onset of apoptosis it proteolytically cleaves poly(ADP-ribose) polymerase (PARP) at a '216-Asp-|-Gly-217' bond. Cleaves and activates sterol regulatory element binding proteins (SREBPs) between the basic helix-loop-helix leucine zipper domain and the membrane attachment domain. Cleaves and activates caspase-6, -7 and -9. Involved in the cleavage of huntingtin. Triggers cell adhesion in sympathetic neurons through RET cleavage.<ref>PMID:7596430</ref> <ref>PMID:21357690</ref>
 +
== 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/pa/1pau_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/main_output.php?pdb_ID=1pau ConSurf].
 +
<div style="clear:both"></div>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
Cysteine proteases related to mammalian interleukin-1 beta converting enzyme (ICE) and to its Caenorhabditis elegans homologue, CED-3, play a critical role in the biochemical events that culminate in apoptosis. We have determined the three-dimensional structure of a complex of the human CED-3 homologue CPP32/apopain with a potent tetrapeptide-aldehyde inhibitor. The protein resembles ICE in overall structure, but its S4 subsite is strikingly different in size and chemical composition. These differences account for the variation in specificity between the ICE- and CED-3-related proteases and enable the design of specific inhibitors that can probe the physiological functions of the proteins and disease states with which they are associated.
-
==About this Structure==
+
The three-dimensional structure of apopain/CPP32, a key mediator of apoptosis.,Rotonda J, Nicholson DW, Fazil KM, Gallant M, Gareau Y, Labelle M, Peterson EP, Rasper DM, Ruel R, Vaillancourt JP, Thornberry NA, Becker JW Nat Struct Biol. 1996 Jul;3(7):619-25. PMID:8673606<ref>PMID:8673606</ref>
-
1PAU is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with ACE as [http://en.wikipedia.org/wiki/ligand ligand]. The following page contains interesting information on the relation of 1PAU with [[http://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/pdb56_1.html Caspases]]. Structure known Active Sites: S1, S2, S3 and S4. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1PAU OCA].
+
-
==Reference==
+
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-
The three-dimensional structure of apopain/CPP32, a key mediator of apoptosis., Rotonda J, Nicholson DW, Fazil KM, Gallant M, Gareau Y, Labelle M, Peterson EP, Rasper DM, Ruel R, Vaillancourt JP, Thornberry NA, Becker JW, Nat Struct Biol. 1996 Jul;3(7):619-25. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=8673606 8673606]
+
</div>
 +
<div class="pdbe-citations 1pau" style="background-color:#fffaf0;"></div>
 +
 
 +
==See Also==
 +
*[[Caspase 3D structures|Caspase 3D structures]]
 +
== References ==
 +
<references/>
 +
__TOC__
 +
</StructureSection>
[[Category: Caspases]]
[[Category: Caspases]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
-
[[Category: Protein complex]]
+
[[Category: Large Structures]]
-
[[Category: Becker, J.W.]]
+
[[Category: RCSB PDB Molecule of the Month]]
-
[[Category: Rotonda, J.]]
+
[[Category: Becker JW]]
-
[[Category: ACE]]
+
[[Category: Rotonda J]]
-
[[Category: apopain]]
+
-
[[Category: caspase-3]]
+
-
[[Category: complex (protease/inhibitor)]]
+
-
[[Category: cpp32]]
+
-
[[Category: cysteine protease]]
+
-
[[Category: yama]]
+
-
 
+
-
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 18:41:43 2007''
+

Current revision

Crystal structure of the complex of apopain with the tetrapeptide aldehyde inhibitor AC-DEVD-CHO

PDB ID 1pau

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1pau"
Personal tools