3g60: Difference between revisions

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<StructureSection load='3g60' size='340' side='right'caption='[[3g60]], [[Resolution|resolution]] 4.40&Aring;' scene=''>
<StructureSection load='3g60' size='340' side='right'caption='[[3g60]], [[Resolution|resolution]] 4.40&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[3g60]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Lk3_transgenic_mice Lk3 transgenic mice]. The March 2010 RCSB PDB [https://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/index.html Molecule of the Month] feature on ''P-glycoprotein''  by David Goodsell is [https://dx.doi.org/10.2210/rcsb_pdb/mom_2010_3 10.2210/rcsb_pdb/mom_2010_3]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G60 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3G60 FirstGlance]. <br>
<table><tr><td colspan='2'>[[3g60]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. The March 2010 RCSB PDB [https://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/index.html Molecule of the Month] feature on ''P-glycoprotein''  by David Goodsell is [https://dx.doi.org/10.2210/rcsb_pdb/mom_2010_3 10.2210/rcsb_pdb/mom_2010_3]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3G60 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3G60 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0JZ:(4R,11R,18R)-4,11,18-TRI(PROPAN-2-YL)-6,13,20-TRISELENA-3,10,17,22,23,24-HEXAAZATETRACYCLO[17.2.1.1~5,8~.1~12,15~]TETRACOSA-1(21),5(24),7,12(23),14,19(22)-HEXAENE-2,9,16-TRIONE'>0JZ</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]] 4.4&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3g5u|3g5u]], [[3g61|3g61]]</div></td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0JZ:(4R,11R,18R)-4,11,18-TRI(PROPAN-2-YL)-6,13,20-TRISELENA-3,10,17,22,23,24-HEXAAZATETRACYCLO[17.2.1.1~5,8~.1~12,15~]TETRACOSA-1(21),5(24),7,12(23),14,19(22)-HEXAENE-2,9,16-TRIONE'>0JZ</scene></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Abcb1a, mCG_1178 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10090 LK3 transgenic mice])</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=3g60 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g60 OCA], [https://pdbe.org/3g60 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3g60 RCSB], [https://www.ebi.ac.uk/pdbsum/3g60 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3g60 ProSAT]</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=3g60 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3g60 OCA], [https://pdbe.org/3g60 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3g60 RCSB], [https://www.ebi.ac.uk/pdbsum/3g60 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3g60 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[https://www.uniprot.org/uniprot/MDR1A_MOUSE MDR1A_MOUSE]] Energy-dependent efflux pump responsible for decreased drug accumulation in multidrug-resistant cells.<ref>PMID:19325113</ref>
[https://www.uniprot.org/uniprot/MDR1A_MOUSE MDR1A_MOUSE] Energy-dependent efflux pump responsible for decreased drug accumulation in multidrug-resistant cells.<ref>PMID:19325113</ref>  
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
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</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=3g60 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=3g60 ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
P-glycoprotein (P-gp) detoxifies cells by exporting hundreds of chemically unrelated toxins but has been implicated in multidrug resistance (MDR) in the treatment of cancers. Substrate promiscuity is a hallmark of P-gp activity, thus a structural description of poly-specific drug-binding is important for the rational design of anticancer drugs and MDR inhibitors. The x-ray structure of apo P-gp at 3.8 angstroms reveals an internal cavity of approximately 6000 angstroms cubed with a 30 angstrom separation of the two nucleotide-binding domains. Two additional P-gp structures with cyclic peptide inhibitors demonstrate distinct drug-binding sites in the internal cavity capable of stereoselectivity that is based on hydrophobic and aromatic interactions. Apo and drug-bound P-gp structures have portals open to the cytoplasm and the inner leaflet of the lipid bilayer for drug entry. The inward-facing conformation represents an initial stage of the transport cycle that is competent for drug binding.
Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding.,Aller SG, Yu J, Ward A, Weng Y, Chittaboina S, Zhuo R, Harrell PM, Trinh YT, Zhang Q, Urbatsch IL, Chang G Science. 2009 Mar 27;323(5922):1718-22. PMID:19325113<ref>PMID:19325113</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3g60" style="background-color:#fffaf0;"></div>
== References ==
== References ==
<references/>
<references/>
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</StructureSection>
</StructureSection>
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Lk3 transgenic mice]]
[[Category: Mus musculus]]
[[Category: P-glycoprotein]]
[[Category: P-glycoprotein]]
[[Category: RCSB PDB Molecule of the Month]]
[[Category: RCSB PDB Molecule of the Month]]
[[Category: Aller, S G]]
[[Category: Aller SG]]
[[Category: Chang, G]]
[[Category: Chang G]]
[[Category: Chittaboina, S]]
[[Category: Chittaboina S]]
[[Category: Harrell, P M]]
[[Category: Harrell PM]]
[[Category: Trinh, Y T]]
[[Category: Trinh YT]]
[[Category: Urbatsch, I L]]
[[Category: Urbatsch IL]]
[[Category: Ward, A]]
[[Category: Ward A]]
[[Category: Weng, Y]]
[[Category: Weng Y]]
[[Category: Yu, J]]
[[Category: Yu J]]
[[Category: Zhang, Q]]
[[Category: Zhang Q]]
[[Category: Zhuo, R]]
[[Category: Zhuo R]]
[[Category: Cyclic peptide]]
[[Category: Membrane protein]]
[[Category: Multidrug resistance]]
[[Category: Pgp]]

Latest revision as of 09:52, 21 February 2024

Structure of P-glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding

3g60, resolution 4.40Å

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