3cys

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{{STRUCTURE_3cys| PDB=3cys | SCENE= }}
{{STRUCTURE_3cys| PDB=3cys | SCENE= }}
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'''DETERMINATION OF THE NMR SOLUTION STRUCTURE OF THE CYCLOPHILIN A-CYCLOSPORIN A COMPLEX'''
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===DETERMINATION OF THE NMR SOLUTION STRUCTURE OF THE CYCLOPHILIN A-CYCLOSPORIN A COMPLEX===
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==Overview==
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The three-dimensional NMR solution structure of the cyclophilin A (Cyp)-cyclosporin A (CsA) complex was determined, and here we provide a detailed description of the analysis of the NMR data and the structure calculation. Using 15N- and 13C-resolved three- and four-dimensional [1H,1H]-nuclear Overhauser enhancement (NOE) spectroscopy with uniformly isotope-labeled Cyp in the complex, a final data set of 1810 intra-Cyp, 107 intra-CsA and 63 intermolecular NOE upper distance constraints was collected as input for the structure calculation with the program DIANA. A group of DIANA conformers, selected by a previously described analysis of the dependence of the maximal root-mean-square deviation (rmsd) among the individual conformers on the residual target function value, was subjected to energy refinement with the program FANTOM. The 22 best energy-refined conformers were then used to represent the solution structure. The average rmsd relative to the mean structure of these 22 conformers is 1.1 A for the backbone atoms of all residues of the complex. The molecular architecture of Cyp in the Cyp-CsA complex includes an eight-stranded antiparallel beta-barrel, which is closed on each side by an amphipathic helix. CsA is bound in a cavity formed by part of the barrel surface and four loops with nonregular secondary structure. Comparison of this structure with structures of Cyp-CsA and other Cyp-peptide complexes determined by different approaches shows extensive similarities.
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{{ABSTRACT_PUBMED_8075536}}
==About this Structure==
==About this Structure==
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3CYS is a [[Single protein]] structure. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=2cys 2cys]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CYS OCA].
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3CYS is a [[Single protein]] structure. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=2cys 2cys]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CYS OCA].
==Reference==
==Reference==
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[[Category: Widmer, H.]]
[[Category: Widmer, H.]]
[[Category: Wuthrich, K.]]
[[Category: Wuthrich, K.]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 21:59:49 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 08:26:49 2008''

Revision as of 05:26, 29 July 2008

Image:3cys.png

Template:STRUCTURE 3cys

DETERMINATION OF THE NMR SOLUTION STRUCTURE OF THE CYCLOPHILIN A-CYCLOSPORIN A COMPLEX

Template:ABSTRACT PUBMED 8075536

About this Structure

3CYS is a Single protein structure. This structure supersedes the now removed PDB entry 2cys. Full experimental information is available from OCA.

Reference

Determination of the NMR solution structure of the cyclophilin A-cyclosporin A complex., Spitzfaden C, Braun W, Wider G, Widmer H, Wuthrich K, J Biomol NMR. 1994 Jul;4(4):463-82. PMID:8075536

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