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| - | [[Image:1egl.gif|left|200px]] | + | {{Seed}} |
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| | {{STRUCTURE_1egl| PDB=1egl | SCENE= }} | | {{STRUCTURE_1egl| PDB=1egl | SCENE= }} |
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| - | '''THE SOLUTION STRUCTURE OF EGLIN C BASED ON MEASUREMENTS OF MANY NOES AND COUPLING CONSTANTS AND ITS COMPARISON WITH X-RAY STRUCTURES'''
| + | ===THE SOLUTION STRUCTURE OF EGLIN C BASED ON MEASUREMENTS OF MANY NOES AND COUPLING CONSTANTS AND ITS COMPARISON WITH X-RAY STRUCTURES=== |
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| - | ==Overview==
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| - | A high-precision solution structure of the elastase inhibitor eglin c was determined by NMR and distance geometry calculations. A large set of 947 nuclear Overhauser (NOE) distance constraints was identified, 417 of which were quantified from two-dimensional NOE spectra at short mixing times. In addition, a large number of homonuclear 1H-1H and heteronuclear 1H-15N vicinal coupling constants were used, and constraints on 42 chi 1 and 38 phi angles were obtained. Structure calculations were carried out using the distance geometry program DG-II. These calculations had a high convergence rate, in that 66 out of 75 calculations converged with maximum residual NOE violations ranging from 0.17 A to 0.47 A. The spread of the structures was characterized with average root mean square deviations (<rmsd>) between the structures and a mean structure. To calculate the <rmsd> unbiased toward any single structure, a new procedure was used for structure alignment. A canonical structure was calculated from the mean distances, and all structures were aligned relative to that. Furthermore, an angular order parameter S was defined and used to characterize the spread of structures in torsion angle space. To obtain an accurate estimate of the precision of the structure, the number of calculations was increased until the <rmsd> and the angular order parameters stabilized. This was achieved after approximately 40 calculations. The structure consists of a well-defined core whose backbone deviates from the canonical structure ca. 0.4 A, a disordered N-terminal heptapeptide whose backbone deviates by 0.8-12 A, and a proteinase-binding loop whose backbone deviates up to 3.0 A. Analysis of the angular order parameters and inspection of the structures indicates that a hinge-bending motion of the binding loop may occur in solution. Secondary structures were analyzed by comparison of dihedral angle patterns. The high precision of the structure allows one to identify subtle differences with four crystal structures of eglin c determined in complexes with proteinases.
| + | The line below this paragraph, {{ABSTRACT_PUBMED_1304915}}, adds the Publication Abstract to the page |
| | + | (as it appears on PubMed at http://www.pubmed.gov), where 1304915 is the PubMed ID number. |
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| | + | {{ABSTRACT_PUBMED_1304915}} |
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| | ==About this Structure== | | ==About this Structure== |
| - | 1EGL is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Hirudo_medicinalis Hirudo medicinalis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1EGL OCA]. | + | 1EGL is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Hirudo_medicinalis Hirudo medicinalis]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1EGL OCA]. |
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| | ==Reference== | | ==Reference== |
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| | [[Category: Wagner, G.]] | | [[Category: Wagner, G.]] |
| | [[Category: Proteinase inhibitor]] | | [[Category: Proteinase inhibitor]] |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 15:04:33 2008'' | + | |
| | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 1 00:40:00 2008'' |
Revision as of 21:40, 30 June 2008
Template:STRUCTURE 1egl
THE SOLUTION STRUCTURE OF EGLIN C BASED ON MEASUREMENTS OF MANY NOES AND COUPLING CONSTANTS AND ITS COMPARISON WITH X-RAY STRUCTURES
Template:ABSTRACT PUBMED 1304915
About this Structure
1EGL is a Single protein structure of sequence from Hirudo medicinalis. Full experimental information is available from OCA.
Reference
The solution structure of eglin c based on measurements of many NOEs and coupling constants and its comparison with X-ray structures., Hyberts SG, Goldberg MS, Havel TF, Wagner G, Protein Sci. 1992 Jun;1(6):736-51. PMID:1304915
Page seeded by OCA on Tue Jul 1 00:40:00 2008
