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1pph

From Proteopedia

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(New page: 200px<br /><applet load="1pph" size="450" color="white" frame="true" align="right" spinBox="true" caption="1pph, resolution 1.9&Aring;" /> '''GEOMETRY OF BINDING O...)
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[[Image:1pph.gif|left|200px]]<br /><applet load="1pph" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1pph, resolution 1.9&Aring;" />
 
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'''GEOMETRY OF BINDING OF THE NALPHA-TOSYLATED PIPERIDIDES OF M-AMIDINO-, P-AMIDINO-AND P-GUANIDINO PHENYLALANINE TO THROMBIN AND TRYPSIN: X-RAY CRYSTAL STRUCTURES OF THEIR TRYPSIN COMPLEXES AND MODELING OF THEIR THROMBIN COMPLEXES'''<br />
 
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==Overview==
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==GEOMETRY OF BINDING OF THE NALPHA-TOSYLATED PIPERIDIDES OF M-AMIDINO-, P-AMIDINO-AND P-GUANIDINO PHENYLALANINE TO THROMBIN AND TRYPSIN: X-RAY CRYSTAL STRUCTURES OF THEIR TRYPSIN COMPLEXES AND MODELING OF THEIR THROMBIN COMPLEXES==
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The X-ray crystal structures of the complexes formed with bovine trypsin, and the N alpha-tosylated piperidides of m-amidino-, p-amidino- and, p-guanidino-D,L-phenylalanine (3-TAPAP, 4-TAPAP and 4-TGPAP) were, determined with data to 1.8 A resolution. The L-stereoisomer of 3-TAPAP, binds as a compact entity into the active site of trypsin, with the, amidino and the carbonyl groups of the central amidinophenylalanyl residue, hydrogen-bonded to Gly216 of trypsin. According to modeling and energy, minimization, 3-TAPAP fits perfectly in this conformation to the more, restrictive thrombin active site also (Bajusz et al. (1978) Int. J. Pept., Prot. Res. 12, 217-221); the piperidine moiety extends into the cage-like, S2 subsite of thrombin, but leaves room for additional substituents which, might help to improve binding and pharmacological properties. In contrast, 4-TAPAP and 4-TGPAP bind only weakly and in an extended conformation to, trypsin; their considerably enhanced affinities for thrombin would suggest, a more compact binding to thrombin.
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<StructureSection load='1pph' size='340' side='right'caption='[[1pph]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1pph]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1PPH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1PPH 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]] 1.9&#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=0ZG:3-[(2S)-2-{[(4-METHYLPHENYL)SULFONYL]AMINO}-3-OXO-3-PIPERIDIN-1-YLPROPYL]BENZENECARBOXIMIDAMIDE'>0ZG</scene>, <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=1pph FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1pph OCA], [https://pdbe.org/1pph PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1pph RCSB], [https://www.ebi.ac.uk/pdbsum/1pph PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1pph ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/TRY1_BOVIN TRY1_BOVIN]
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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/pp/1pph_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=1pph ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1PPH is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/ ] with CA, SO4, APM and TOS as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Trypsin Trypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.4 3.4.21.4] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1PPH OCA].
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*[[Cationic trypsin|Cationic trypsin]]
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*[[Trypsin 3D structures|Trypsin 3D structures]]
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==Reference==
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__TOC__
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Geometry of binding of the N alpha-tosylated piperidides of m-amidino-, p-amidino- and p-guanidino phenylalanine to thrombin and trypsin. X-ray crystal structures of their trypsin complexes and modeling of their thrombin complexes., Turk D, Sturzebecher J, Bode W, FEBS Lett. 1991 Aug 5;287(1-2):133-8. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=1879520 1879520]
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</StructureSection>
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Trypsin]]
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[[Category: Sus scrofa]]
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[[Category: Bode, W.]]
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[[Category: Bode W]]
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[[Category: Turk, D.]]
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[[Category: Turk D]]
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[[Category: APM]]
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[[Category: CA]]
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[[Category: SO4]]
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[[Category: TOS]]
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[[Category: hydrolase(serine proteinase)]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 23:59:53 2007''
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Current revision

GEOMETRY OF BINDING OF THE NALPHA-TOSYLATED PIPERIDIDES OF M-AMIDINO-, P-AMIDINO-AND P-GUANIDINO PHENYLALANINE TO THROMBIN AND TRYPSIN: X-RAY CRYSTAL STRUCTURES OF THEIR TRYPSIN COMPLEXES AND MODELING OF THEIR THROMBIN COMPLEXES

PDB ID 1pph

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