2ech: Difference between revisions

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[[Image:2ech.jpg|left|200px]]<br /><applet load="2ech" size="~~450~~" color="white" frame="true" align="right" spinBox="true"

[[Image:2ech.jpg|left|200px]]<br /><applet load="2ech" size="350" color="white" frame="true" align="right" spinBox="true"

caption="2ech" />

'''ECHISTATIN-THE REFINED STRUCTURE OF A DISINTEGRIN IN SOLUTION BY 1H NMR'''<br />

==Overview==

The structure of the disintegrin echistatin has been determined by 1H NMR, distance geometry calculations and restrained molecular dynamics, simulations. The structure has been refined from the preliminary distance, geometry calculations with the inclusion of additional 1H NMR data and, hydrogen bonds identified in early stages of the molecular dynamics, calculations. The calculations reported here allow a distinction to be, made between the two possible disulfide bridging patterns-echistatin is, crosslinked as follows: Cys2-Cys11, Cys7-Cys32, Cys8-Cys37, Cys20-Cys39., The final set of structures gives an average pairwise root mean square, distance of 0.100 nm (calculated over the backbone atoms of residues, Ser4-Cys20 and Asp30-Pro40). The core of echistatin is a well defined, though irregular structure, composed of a series of non-classical turns, crosslinked by the disulfide bridges and stabilised by hydrogen bonds. The, RGD sequence is located in a protruding loop whose stem is formed by two, rigid, hydrogen-bonded strands (Thr18-Cys20, Asp30-Cys32). The RGD, sequence is connected to this structure by short, flexible segments. High, (but not unlimited) mobility is probably necessary for fast recognition, and fitting to the integrin receptors. Sequence variability among the, disintegrins is found in the segments flanking the RGD sequence, suggesting that these may be important in conferring specificity for the, receptors.

The structure of the disintegrin echistatin has been determined by 1H NMR, distance geometry calculations and restrained molecular dynamics simulations. The structure has been refined from the preliminary distance geometry calculations with the inclusion of additional 1H NMR data and hydrogen bonds identified in early stages of the molecular dynamics calculations. The calculations reported here allow a distinction to be made between the two possible disulfide bridging patterns-echistatin is crosslinked as follows: Cys2-Cys11, Cys7-Cys32, Cys8-Cys37, Cys20-Cys39. The final set of structures gives an average pairwise root mean square distance of 0.100 nm (calculated over the backbone atoms of residues Ser4-Cys20 and Asp30-Pro40). The core of echistatin is a well defined though irregular structure, composed of a series of non-classical turns crosslinked by the disulfide bridges and stabilised by hydrogen bonds. The RGD sequence is located in a protruding loop whose stem is formed by two rigid, hydrogen-bonded strands (Thr18-Cys20, Asp30-Cys32). The RGD sequence is connected to this structure by short, flexible segments. High (but not unlimited) mobility is probably necessary for fast recognition and fitting to the integrin receptors. Sequence variability among the disintegrins is found in the segments flanking the RGD sequence, suggesting that these may be important in conferring specificity for the receptors.

==About this Structure==

2ECH is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Echis_carinatus Echis carinatus] with NH2 as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://~~ispc~~.weizmann.ac.il/oca-bin/ocashort?id=2ECH OCA].

2ECH is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Echis_carinatus Echis carinatus] with <scene name='pdbligand=NH2:'>NH2</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ECH OCA].

==Reference==

Line 13:

[[Category: Echis carinatus]]

[[Category: Single protein]]

[[Category: Atkinson, R.A.]]

[[Category: Atkinson, R A.]]

[[Category: Pelton, J.T.]]

[[Category: Pelton, J T.]]

[[Category: Saudek, V.]]

[[Category: NH2]]

[[Category: blood coagulation inhibitor]]

''Page seeded by [http://~~ispc~~.weizmann.ac.il/oca OCA ] on ~~Wed Nov~~ 21 10:00:~~37 2007~~''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:08:35 2008''

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@@ Line 1: / Line 1: @@
-[[Image:2ech.jpg|left|200px]]<br /><applet load="2ech" size="450" color="white" frame="true" align="right" spinBox="true"
+[[Image:2ech.jpg|left|200px]]<br /><applet load="2ech" size="350" color="white" frame="true" align="right" spinBox="true"
 caption="2ech" />
 '''ECHISTATIN-THE REFINED STRUCTURE OF A DISINTEGRIN IN SOLUTION BY 1H NMR'''<br />
 ==Overview==
-The structure of the disintegrin echistatin has been determined by 1H NMR, distance geometry calculations and restrained molecular dynamics, simulations. The structure has been refined from the preliminary distance, geometry calculations with the inclusion of additional 1H NMR data and, hydrogen bonds identified in early stages of the molecular dynamics, calculations. The calculations reported here allow a distinction to be, made between the two possible disulfide bridging patterns-echistatin is, crosslinked as follows: Cys2-Cys11, Cys7-Cys32, Cys8-Cys37, Cys20-Cys39., The final set of structures gives an average pairwise root mean square, distance of 0.100 nm (calculated over the backbone atoms of residues, Ser4-Cys20 and Asp30-Pro40). The core of echistatin is a well defined, though irregular structure, composed of a series of non-classical turns, crosslinked by the disulfide bridges and stabilised by hydrogen bonds. The, RGD sequence is located in a protruding loop whose stem is formed by two, rigid, hydrogen-bonded strands (Thr18-Cys20, Asp30-Cys32). The RGD, sequence is connected to this structure by short, flexible segments. High, (but not unlimited) mobility is probably necessary for fast recognition, and fitting to the integrin receptors. Sequence variability among the, disintegrins is found in the segments flanking the RGD sequence, suggesting that these may be important in conferring specificity for the, receptors.
+The structure of the disintegrin echistatin has been determined by 1H NMR, distance geometry calculations and restrained molecular dynamics simulations. The structure has been refined from the preliminary distance geometry calculations with the inclusion of additional 1H NMR data and hydrogen bonds identified in early stages of the molecular dynamics calculations. The calculations reported here allow a distinction to be made between the two possible disulfide bridging patterns-echistatin is crosslinked as follows: Cys2-Cys11, Cys7-Cys32, Cys8-Cys37, Cys20-Cys39. The final set of structures gives an average pairwise root mean square distance of 0.100 nm (calculated over the backbone atoms of residues Ser4-Cys20 and Asp30-Pro40). The core of echistatin is a well defined though irregular structure, composed of a series of non-classical turns crosslinked by the disulfide bridges and stabilised by hydrogen bonds. The RGD sequence is located in a protruding loop whose stem is formed by two rigid, hydrogen-bonded strands (Thr18-Cys20, Asp30-Cys32). The RGD sequence is connected to this structure by short, flexible segments. High (but not unlimited) mobility is probably necessary for fast recognition and fitting to the integrin receptors. Sequence variability among the disintegrins is found in the segments flanking the RGD sequence, suggesting that these may be important in conferring specificity for the receptors.
 ==About this Structure==
-ECH is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Echis_carinatus Echis carinatus] with NH2 as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2ECH OCA].
+ECH is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Echis_carinatus Echis carinatus] with <scene name='pdbligand=NH2:'>NH2</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ECH OCA].
 ==Reference==
@@ Line 13: / Line 13: @@
 [[Category: Echis carinatus]]
 [[Category: Single protein]]
-[[Category: Atkinson, R.A.]]
+[[Category: Atkinson, R A.]]
-[[Category: Pelton, J.T.]]
+[[Category: Pelton, J T.]]
 [[Category: Saudek, V.]]
 [[Category: NH2]]
 [[Category: blood coagulation inhibitor]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Wed Nov 21 10:00:37 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:08:35 2008''