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1hym

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[[Image:1hym.gif|left|200px]]
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{{STRUCTURE_1hym| PDB=1hym | SCENE= }}
{{STRUCTURE_1hym| PDB=1hym | SCENE= }}
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'''HYDROLYZED TRYPSIN INHIBITOR (CMTI-V, MINIMIZED AVERAGE NMR STRUCTURE)'''
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===HYDROLYZED TRYPSIN INHIBITOR (CMTI-V, MINIMIZED AVERAGE NMR STRUCTURE)===
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==Overview==
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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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{{ABSTRACT_PUBMED_7547948}}
==About this Structure==
==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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1HYM is a [[Protein complex]] structure of sequences from [http://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].
==Reference==
==Reference==
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[[Category: Krishnamoorthi, R.]]
[[Category: Krishnamoorthi, R.]]
[[Category: Prakash, O.]]
[[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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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 10:08:16 2008''

Revision as of 07:08, 1 July 2008

Image:1hym.png

Template:STRUCTURE 1hym

HYDROLYZED TRYPSIN INHIBITOR (CMTI-V, MINIMIZED AVERAGE NMR STRUCTURE)

Template:ABSTRACT PUBMED 7547948

About this Structure

1HYM is a Protein complex structure of sequences from Cucurbita maxima. Full experimental information is available from OCA.

Reference

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:7547948

Page seeded by OCA on Tue Jul 1 10:08:16 2008

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