1g6h: Difference between revisions

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-[[Image:1g6h.gif|left|200px]]<br /><applet load="1g6h" size="450" color="white" frame="true" align="right" spinBox="true"
-caption="1g6h, resolution 1.60&Aring;" />
-'''CRYSTAL STRUCTURE OF THE ADP CONFORMATION OF MJ1267, AN ATP-BINDING CASSETTE OF AN ABC TRANSPORTER'''<br />
-==Overview==
+==CRYSTAL STRUCTURE OF THE ADP CONFORMATION OF MJ1267, AN ATP-BINDING CASSETTE OF AN ABC TRANSPORTER==
-BACKGROUND: ATP binding cassette (ABC) transporters are ubiquitously, distributed transmembrane solute pumps that play a causative role in, numerous diseases. Previous structures have defined the fold of the ABC, and established the flexibility of its alpha-helical subdomain. But the, nature of the mechanical changes that occur at each step of the chemical, ATPase cycle have not been defined. RESULTS: Crystal structures were, determined of the MJ1267 ABC from Methanococcus jannaschii in Mg-ADP-bound, and nucleotide-free forms. Comparison of these structures reveals an, induced-fit effect at the active site likely to be a consequence of, nucleotide binding. In the Mg-ADP-bound structure, the loop following the, Walker B moves toward the Walker A (P-loop) coupled to backbone, conformational changes in the intervening "H-loop", which contains an, invariant histidine. These changes affect the region believed to mediate, intercassette interaction in the ABC transporter complex. Comparison of, the Mg-ADP-bound structure of MJ1267 to the ATP-bound structure of HisP, suggests that an outward rotation of the alpha-helical subdomain is, coupled to the loss of a molecular contact between the gamma-phosphate of, ATP and an invariant glutamine in a segment connecting this subdomain to, the core of the cassette. CONCLUSIONS: The induced-fit effect and rotation, of the alpha-helical subdomain may play a role in controlling the, nucleotide-dependent change in cassette-cassette interaction affinity, believed to represent the power-stroke of ABC transporters. Outward, rotation of the alpha-helical subdomain also likely facilitates Mg-ADP, release after hydrolysis. The MJ1267 structures therefore define features, of the nucleotide-dependent conformational changes that drive, transmembrane transport in ABC transporters.
+<StructureSection load='1g6h' size='340' side='right'caption='[[1g6h]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[1g6h]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Methanocaldococcus_jannaschii Methanocaldococcus jannaschii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1G6H OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1G6H 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]] 1.6&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ADP:ADENOSINE-5-DIPHOSPHATE'>ADP</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MMC:METHYL+MERCURY+ION'>MMC</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=1g6h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1g6h OCA], [https://pdbe.org/1g6h PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1g6h RCSB], [https://www.ebi.ac.uk/pdbsum/1g6h PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1g6h ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/LIVG_METJA LIVG_METJA] Probable component of a branched-chain amino-acid transport system.
+== 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/g6/1g6h_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=1g6h ConSurf].
+<div style="clear:both"></div>
-==About this Structure==
+==See Also==
-G6H is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Methanocaldococcus_jannaschii Methanocaldococcus jannaschii] with MG, MMC and ADP as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1G6H OCA].
+*[[ABC transporter 3D structures|ABC transporter 3D structures]]
+__TOC__
-==Reference==
+</StructureSection>
-Crystal structures of the MJ1267 ATP binding cassette reveal an induced-fit effect at the ATPase active site of an ABC transporter., Karpowich N, Martsinkevich O, Millen L, Yuan YR, Dai PL, MacVey K, Thomas PJ, Hunt JF, Structure. 2001 Jul 3;9(7):571-86. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11470432 11470432]
+[[Category: Large Structures]]
 [[Category: Methanocaldococcus jannaschii]]
-[[Category: Single protein]]
+[[Category: Hunt JF]]
-[[Category: Hunt, J.F.]]
+[[Category: Karpowich N]]
-[[Category: Karpowich, N.]]
+[[Category: Martsinkevich O]]
-[[Category: Martsinkevich, O.]]
+[[Category: Millen L]]
-[[Category: Millen, L.]]
+[[Category: Thomas PJ]]
-[[Category: Thomas, P.J.]]
+[[Category: Yuan Y-R]]
-[[Category: Yuan, Y.R.]]
-[[Category: ADP]]
-[[Category: MG]]
-[[Category: MMC]]
-[[Category: abc specific-beta-strand domain alpha-helix domain]]
-[[Category: beta-core domain]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 15:45:15 2007''