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1hym

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[[Image:1hym.gif|left|200px]]
 
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==HYDROLYZED TRYPSIN INHIBITOR (CMTI-V, MINIMIZED AVERAGE NMR STRUCTURE)==
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The line below this paragraph, containing "STRUCTURE_1hym", creates the "Structure Box" on the page.
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<StructureSection load='1hym' size='340' side='right'caption='[[1hym]]' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[1hym]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Cucurbita_maxima Cucurbita maxima]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HYM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1HYM FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">Solution NMR</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=ACE:ACETYL+GROUP'>ACE</scene></td></tr>
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{{STRUCTURE_1hym| PDB=1hym | SCENE= }}
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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=1hym FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1hym OCA], [https://pdbe.org/1hym PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1hym RCSB], [https://www.ebi.ac.uk/pdbsum/1hym PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1hym ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/ITH5_CUCMA ITH5_CUCMA] Specifically inhibits both trypsin and activated Hageman factor.
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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/hy/1hym_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=1hym ConSurf].
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<div style="clear:both"></div>
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'''HYDROLYZED TRYPSIN INHIBITOR (CMTI-V, MINIMIZED AVERAGE NMR STRUCTURE)'''
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==See Also==
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*[[Trypsin inhibitor 3D structures|Trypsin inhibitor 3D structures]]
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__TOC__
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==Overview==
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</StructureSection>
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Reactive-site (Lys44-Asp45 peptide bond) hydrolyzed Cucurbita maxima trypsin inhibitor-V (CMTI-V*) was prepared and characterized: In comparison to the intact form, CMTI-V* exhibited markedly reduced inhibitory properties and binding affinities toward trypsin and human blood coagulation factor XIIa. The equilibrium constant of trypsin-catalyzed hydrolysis, Khyd, defined as [CMTI-V*]/[CMTI-V], was measured to be approximately 9.4 at 25 degrees C (delta G degrees = -1.3 kcal.mol-1). From the temperature dependence of delta G degrees, the following thermodynamic parameters were estimated: delta H degrees = 1.6 kcal.mol-1 and delta S degrees = 9.8 eu. In order to understand the functional and thermodynamic differences between the two forms, the three-dimensional solution structure of CMTI-V* was determined by a combined approach of NMR, distance geometry, and simulated annealing methods. Thus, following sequence-specific and stereospecific resonance assignments, including those of beta-, gamma-, delta-, and epsilon-hydrogens and valine methyl hydrogens, 809 interhydrogen distances and 123 dihedral angle constraints were determined, resulting in the computation and energy-minimization of 20 structures for CMTI-V*. The average root mean squared deviation in position for equivalent atoms between the 20 individual structures and the mean structure obtained by averaging their coordinates is 0.67 +/- 0.15 A for the main chain atoms and 1.19 +/- 0.23 A for all the non-hydrogen atoms of residues 5-40 and residues 48-67.(ABSTRACT TRUNCATED AT 250 WORDS)
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==About this Structure==
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1HYM is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Cucurbita_maxima Cucurbita maxima]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HYM OCA].
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==Reference==
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Reactive-site hydrolyzed Cucurbita maxima trypsin inhibitor-V: function, thermodynamic stability, and NMR solution structure., Cai M, Gong Y, Prakash O, Krishnamoorthi R, Biochemistry. 1995 Sep 26;34(38):12087-94. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/7547948 7547948]
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[[Category: Cucurbita maxima]]
[[Category: Cucurbita maxima]]
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[[Category: Protein complex]]
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[[Category: Large Structures]]
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[[Category: Cai, M.]]
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[[Category: Cai M]]
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[[Category: Gong, Y.]]
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[[Category: Gong Y]]
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[[Category: Krishnamoorthi, R.]]
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[[Category: Krishnamoorthi R]]
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[[Category: Prakash, O.]]
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[[Category: Prakash O]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 19:22:01 2008''
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HYDROLYZED TRYPSIN INHIBITOR (CMTI-V, MINIMIZED AVERAGE NMR STRUCTURE)

PDB ID 1hym

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