4aq3

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==HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR==
==HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR==
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<StructureSection load='4aq3' size='340' side='right' caption='[[4aq3]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
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<StructureSection load='4aq3' size='340' side='right'caption='[[4aq3]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4aq3]] is a 6 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=4AQ3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4AQ3 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4aq3]] is a 6 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=4AQ3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4AQ3 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=398:N,N-DIBUTYL-4-CHLORANYL-1-[2-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YLCARBONYL)-4-[(7-IODANYLNAPHTHALEN-2-YL)SULFONYLCARBAMOYL]PHENYL]-5-METHYL-PYRAZOLE-3-CARBOXAMIDE'>398</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.4&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1bxl|1bxl]], [[1g5j|1g5j]], [[1g5m|1g5m]], [[1gjh|1gjh]], [[1lxl|1lxl]], [[1maz|1maz]], [[1r2d|1r2d]], [[1r2e|1r2e]], [[1r2g|1r2g]], [[1r2h|1r2h]], [[1r2i|1r2i]], [[1ysg|1ysg]], [[1ysi|1ysi]], [[1ysn|1ysn]], [[1ysw|1ysw]], [[2b48|2b48]], [[2w3l|2w3l]], [[2xa0|2xa0]], [[2yj1|2yj1]], [[4a1u|4a1u]], [[4a1w|4a1w]]</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=398:N,N-DIBUTYL-4-CHLORANYL-1-[2-(3,4-DIHYDRO-1H-ISOQUINOLIN-2-YLCARBONYL)-4-[(7-IODANYLNAPHTHALEN-2-YL)SULFONYLCARBAMOYL]PHENYL]-5-METHYL-PYRAZOLE-3-CARBOXAMIDE'>398</scene></td></tr>
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<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=4aq3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aq3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4aq3 RCSB], [http://www.ebi.ac.uk/pdbsum/4aq3 PDBsum]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4aq3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4aq3 OCA], [https://pdbe.org/4aq3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4aq3 RCSB], [https://www.ebi.ac.uk/pdbsum/4aq3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4aq3 ProSAT]</span></td></tr>
</table>
</table>
== Disease ==
== Disease ==
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[[http://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN]] Note=A chromosomal aberration involving BCL2 has been found in chronic lymphatic leukemia. Translocation t(14;18)(q32;q21) with immunoglobulin gene regions. BCL2 mutations found in non-Hodgkin lymphomas carrying the chromosomal translocation could be attributed to the Ig somatic hypermutation mechanism resulting in nucleotide transitions.
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[https://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN] Note=A chromosomal aberration involving BCL2 has been found in chronic lymphatic leukemia. Translocation t(14;18)(q32;q21) with immunoglobulin gene regions. BCL2 mutations found in non-Hodgkin lymphomas carrying the chromosomal translocation could be attributed to the Ig somatic hypermutation mechanism resulting in nucleotide transitions.
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN]] Suppresses apoptosis in a variety of cell systems including factor-dependent lymphohematopoietic and neural cells. Regulates cell death by controlling the mitochondrial membrane permeability. Appears to function in a feedback loop system with caspases. Inhibits caspase activity either by preventing the release of cytochrome c from the mitochondria and/or by binding to the apoptosis-activating factor (APAF-1).<ref>PMID:18570871</ref>
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[https://www.uniprot.org/uniprot/BCL2_HUMAN BCL2_HUMAN] Suppresses apoptosis in a variety of cell systems including factor-dependent lymphohematopoietic and neural cells. Regulates cell death by controlling the mitochondrial membrane permeability. Appears to function in a feedback loop system with caspases. Inhibits caspase activity either by preventing the release of cytochrome c from the mitochondria and/or by binding to the apoptosis-activating factor (APAF-1).<ref>PMID:18570871</ref> [https://www.uniprot.org/uniprot/B2CL1_HUMAN B2CL1_HUMAN] Potent inhibitor of cell death. Inhibits activation of caspases (By similarity). Appears to regulate cell death by blocking the voltage-dependent anion channel (VDAC) by binding to it and preventing the release of the caspase activator, CYC1, from the mitochondrial membrane. Also acts as a regulator of G2 checkpoint and progression to cytokinesis during mitosis.<ref>PMID:19917720</ref> <ref>PMID:21840391</ref> Isoform Bcl-X(S) promotes apoptosis.<ref>PMID:19917720</ref> <ref>PMID:21840391</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A series of phenylacylsulfonamides has been prepared as antagonists of Bcl-2/Bcl-xL. In addition to potent binding affinities for both Bcl-2 and Bcl-xL, these compounds were shown to induce classical markers of apoptosis in isolated mitochondria. Overall weak cellular potency was improved by the incorporation of polar functionality resulting in compounds with moderate antiproliferative activity.
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Identification of a phenylacylsulfonamide series of dual Bcl-2/Bcl-xL antagonists.,Perez HL, Banfi P, Bertrand J, Cai ZW, Grebinski JW, Kim K, Lippy J, Modugno M, Naglich J, Schmidt RJ, Tebben A, Vianello P, Wei DD, Zhang L, Galvani A, Lombardo LJ, Borzilleri RM Bioorg Med Chem Lett. 2012 Jun 15;22(12):3946-50. Epub 2012 May 2. PMID:22608961<ref>PMID:22608961</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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==See Also==
==See Also==
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*[[Bcl-2|Bcl-2]]
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*[[B-cell lymphoma proteins 3D structures|B-cell lymphoma proteins 3D structures]]
== References ==
== References ==
<references/>
<references/>
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</StructureSection>
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Bertrand, J A]]
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[[Category: Large Structures]]
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[[Category: Fasolini, M]]
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[[Category: Bertrand JA]]
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[[Category: Modugno, M]]
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[[Category: Fasolini M]]
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[[Category: Apoptosis]]
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[[Category: Modugno M]]
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[[Category: Chimera]]
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Current revision

HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR

PDB ID 4aq3

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