1ay3: Difference between revisions

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[[Image:1ay3.jpg|left|200px]]
{{Seed}}
[[Image:1ay3.png|left|200px]]


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{{STRUCTURE_1ay3|  PDB=1ay3  |  SCENE=  }}  
{{STRUCTURE_1ay3|  PDB=1ay3  |  SCENE=  }}  


'''NODULARIN FROM NODULARIA SPUMIGENA'''
===NODULARIN FROM NODULARIA SPUMIGENA===




==Overview==
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The three-dimensional solution structure of nodularin was studied by NMR and molecular dynamics simulations. The conformation in water was determined from the distance and dihedral data by distance geometry and refined by iterative relaxation matrix analysis. The cyclic backbone adopts a well defined conformation but the remote parts of the side chains of arginine as well as the amino acid derivative Adda have a large spatial dispersion. For the unusual amino acids the partial charges were calculated and nodularin was subjected to molecular dynamic simulations in water. A good agreement was found between experimental and computational data with hydrogen bonds, solvent accessibility, molecular motion, and conformational exchange. The three-dimensional structure resembles very closely that of microcystin-LR in the chemically equivalent segment. Therefore, it is expected that the binding of both microcystins and nodularins to serine/threonine-specific protein phosphatases is similar on an atomic level.
The line below this paragraph, {{ABSTRACT_PUBMED_8663277}}, adds the Publication Abstract to the page
(as it appears on PubMed at http://www.pubmed.gov), where 8663277 is the PubMed ID number.
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{{ABSTRACT_PUBMED_8663277}}


==About this Structure==
==About this Structure==
Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AY3 OCA].  
Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AY3 OCA].  


==Reference==
==Reference==
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[[Category: Hepatotoxin]]
[[Category: Hepatotoxin]]
[[Category: Inhibitor of ser/thr-specific protein phosphatase]]
[[Category: Inhibitor of ser/thr-specific protein phosphatase]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May  2 10:49:55 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jun 30 17:50:23 2008''
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