3est

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(New page: 200px<br /> <applet load="3est" size="450" color="white" frame="true" align="right" spinBox="true" caption="3est, resolution 1.65&Aring;" /> '''STRUCTURE OF NATIVE...)
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[[Image:3est.gif|left|200px]]<br />
 
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<applet load="3est" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="3est, resolution 1.65&Aring;" />
 
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'''STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION'''<br />
 
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==Overview==
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==STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION==
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The structure of native porcine pancreatic elastase in 70% methanol has, been refined using film data to 1.65 A resolution, R = 0.169. A total of, 134 molecules of water (but no methanol) has been refined. This structure, because of its native state and modestly high resolution, serves as the, basis for comparison with other elastase structures complexed with natural, or synthetic ligands. Internal structured water occupies distinct regions., Two regions (IW1 and IW7) suggest a mechanism for equalizing 'hydrostatic, pressure' related to ligand binding and release. A third region (IW4), forms part of a hydrogen-bonding network linking the catalytic Ser 195 O, gamma with a remote (13.4 A) surface of the enzyme. A comparison with the, structures of all known serine proteases reveals that a linkage of Ser O, gamma to remote surface is conserved in all cases, suggesting that the, accepted catalytic mechanism of serine proteases needs to be re-evaluated., One possible mechanism for base catalysis of Ser O gamma H proton, extraction is presented.
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<StructureSection load='3est' size='340' side='right'caption='[[3est]], [[Resolution|resolution]] 1.65&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3est]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. The October 2003 RCSB PDB [https://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/index.html Molecule of the Month] feature on ''Trypsin'' by David S. Goodsell is [https://dx.doi.org/10.2210/rcsb_pdb/mom_2003_10 10.2210/rcsb_pdb/mom_2003_10]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3EST OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3EST FirstGlance]. <br>
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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]] 1.65&#8491;</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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></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=3est FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3est OCA], [https://pdbe.org/3est PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3est RCSB], [https://www.ebi.ac.uk/pdbsum/3est PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3est ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CELA1_PIG CELA1_PIG] Acts upon elastin.
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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/es/3est_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.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=3est ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The structure of native porcine pancreatic elastase in 70% methanol has been refined using film data to 1.65 A resolution, R = 0.169. A total of 134 molecules of water (but no methanol) has been refined. This structure, because of its native state and modestly high resolution, serves as the basis for comparison with other elastase structures complexed with natural or synthetic ligands. Internal structured water occupies distinct regions. Two regions (IW1 and IW7) suggest a mechanism for equalizing 'hydrostatic pressure' related to ligand binding and release. A third region (IW4) forms part of a hydrogen-bonding network linking the catalytic Ser 195 O gamma with a remote (13.4 A) surface of the enzyme. A comparison with the structures of all known serine proteases reveals that a linkage of Ser O gamma to remote surface is conserved in all cases, suggesting that the accepted catalytic mechanism of serine proteases needs to be re-evaluated. One possible mechanism for base catalysis of Ser O gamma H proton extraction is presented.
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==About this Structure==
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Structure of native porcine pancreatic elastase at 1.65 A resolutions.,Meyer E, Cole G, Radhakrishnan R, Epp O Acta Crystallogr B. 1988 Feb 1;44 ( Pt 1):26-38. PMID:3271103<ref>PMID:3271103</ref>
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3EST is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa] with CA and SO4 as [http://en.wikipedia.org/wiki/ligands ligands]. The following page contains interesting information on the relation of 3EST with [[http://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/pdb46_1.html Trypsin]]. Active as [http://en.wikipedia.org/wiki/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=3EST OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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Structure of native porcine pancreatic elastase at 1.65 A resolutions., Meyer E, Cole G, Radhakrishnan R, Epp O, Acta Crystallogr B. 1988 Feb 1;44 ( Pt 1):26-38. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=3271103 3271103]
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</div>
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[[Category: Pancreatic elastase]]
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<div class="pdbe-citations 3est" style="background-color:#fffaf0;"></div>
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[[Category: Single protein]]
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==See Also==
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*[[Elastase 3D structures|Elastase 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: RCSB PDB Molecule of the Month]]
[[Category: Sus scrofa]]
[[Category: Sus scrofa]]
[[Category: Trypsin]]
[[Category: Trypsin]]
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[[Category: Cole, G.]]
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[[Category: Cole G]]
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[[Category: Epp, O.]]
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[[Category: Epp O]]
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[[Category: Meyer, E.F.]]
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[[Category: Meyer EF]]
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[[Category: Radhakrishnan, R.]]
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[[Category: Radhakrishnan R]]
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[[Category: CA]]
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[[Category: SO4]]
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[[Category: hydrolase(serine proteinase)]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 18 09:10:18 2007''
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STRUCTURE OF NATIVE PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION

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