1pnq

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[[Image:1pnq.jpg|left|200px]]
 
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{{Structure
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==Crystal structure of R. rubrum transhydrogenase domain III bound to NADPH==
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|PDB= 1pnq |SIZE=350|CAPTION= <scene name='initialview01'>1pnq</scene>, resolution 2.40&Aring;
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<StructureSection load='1pnq' size='340' side='right'caption='[[1pnq]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=NDP:NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE'>NDP</scene>
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<table><tr><td colspan='2'>[[1pnq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodospirillum_rubrum Rhodospirillum rubrum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1PNQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1PNQ FirstGlance]. <br>
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|ACTIVITY= [http://en.wikipedia.org/wiki/NAD(P)(+)_transhydrogenase_(AB-specific) NAD(P)(+) transhydrogenase (AB-specific)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.6.1.2 1.6.1.2]
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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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|GENE=
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
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}}
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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=1pnq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1pnq OCA], [https://pdbe.org/1pnq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1pnq RCSB], [https://www.ebi.ac.uk/pdbsum/1pnq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1pnq ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/PNTB_RHORT PNTB_RHORT] The transhydrogenation between NADH and NADP is coupled to respiration and ATP hydrolysis and functions as a proton pump across the membrane.[UniProtKB:P07001]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/pn/1pnq_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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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=1pnq ConSurf].
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<div style="clear:both"></div>
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'''Crystal structure of R. rubrum transhydrogenase domain III bound to NADPH'''
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==See Also==
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*[[NAD(P) transhydrogenase 3D structures|NAD(P) transhydrogenase 3D structures]]
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__TOC__
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==Overview==
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</StructureSection>
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Proton-translocating transhydrogenase (TH) couples direct and stereospecific hydride transfer between NAD(H) and NADP(H), bound to soluble domains dI and dIII, respectively, to proton translocation across a membrane bound domain, dII. The reaction occurs with proton-gradient coupled conformational changes, which affect the energetics of substrate binding and interdomain interactions. The crystal structure of TH dIII from Rhodospirillum rubrum has been determined in the presence of NADPH (2.4 A) and NADP (2.1 A) (space group P6(1)22). Each structure has two molecules in the asymmetric unit, differing in the conformation of the NADP(H) binding loop D. In one molecule, loop D has an open conformation, with the B face of (dihydro)nicotinamide exposed to solvent. In the other molecule, loop D adopts a hitherto unobserved closed conformation, resulting in close interactions between NADP(H) and side chains of the highly conserved residues, betaSer405, betaPro406, and betaIle407. The conformational change shields the B face of (dihydro)nicotinamide from solvent, which would block hydride transfer in the intact enzyme. It also alters the environments of invariant residues betaHis346 and betaAsp393. However, there is little difference in either the open or the closed conformation upon change in oxidation state of nicotinamide, i.e., for NADP vs. NADPH. Consequently, the occurrence of two loop D conformations for both substrate oxidation states gives rise to four states: NADP-open, NADP-closed, NADPH-open, and NADPH-closed. Because these states are distinguished by protein conformation and by net charge they may be important in the proton translocating mechanism of intact TH.
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[[Category: Large Structures]]
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==About this Structure==
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1PNQ is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Rhodospirillum_rubrum Rhodospirillum rubrum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1PNQ OCA].
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==Reference==
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Conformational change in the NADP(H) binding domain of transhydrogenase defines four states., Sundaresan V, Yamaguchi M, Chartron J, Stout CD, Biochemistry. 2003 Oct 28;42(42):12143-53. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/14567675 14567675]
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[[Category: NAD(P)(+) transhydrogenase (AB-specific)]]
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[[Category: Rhodospirillum rubrum]]
[[Category: Rhodospirillum rubrum]]
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[[Category: Single protein]]
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[[Category: Chartron J]]
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[[Category: Chartron, J.]]
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[[Category: Stout CD]]
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[[Category: Stout, C D.]]
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[[Category: Sundaresan V]]
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[[Category: Sundaresan, V.]]
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[[Category: Yamaguchi M]]
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[[Category: Yamaguchi, M.]]
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[[Category: NDP]]
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[[Category: nadph]]
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[[Category: nucleotide binding fold]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 13:26:39 2008''
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Current revision

Crystal structure of R. rubrum transhydrogenase domain III bound to NADPH

PDB ID 1pnq

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