1ccq: Difference between revisions

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[[Image:1ccq.gif|left|200px]]
{{Seed}}
[[Image:1ccq.png|left|200px]]


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{{STRUCTURE_1ccq|  PDB=1ccq  |  SCENE=  }}  
{{STRUCTURE_1ccq|  PDB=1ccq  |  SCENE=  }}  


'''NMR STRUCTURE WITH TIGHTLY BOUND WATER MOLECULES OF CYTOTOXIN II (CARDIOTOXIN) FROM NAJA NAJA OXIANA IN AQUEOUS SOLUTION (MINOR FORM).'''
===NMR STRUCTURE WITH TIGHTLY BOUND WATER MOLECULES OF CYTOTOXIN II (CARDIOTOXIN) FROM NAJA NAJA OXIANA IN AQUEOUS SOLUTION (MINOR FORM).===




==Overview==
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1H-NMR spectroscopy data, such as NOE intraprotein and (bound water)/protein contacts, 3J coupling constants and deuterium exchange rates were used to determine the in-solution spatial structure of cytotoxin II from Naja naja oxiana snake venom (CTII). Exploiting information from two 1H-NMR spectral components, shown to be due to cis/trans isomerization of the Val7-Pro8 peptide bond, spatial structures of CTII minor and major forms (1 : 6) were calculated using the torsion angle dynamics algorithm of the DYANA program and then energy refined using the FANTOM program. Each form, major and minor, is represented by 20 resulting conformers, demonstrating mean backbone rmsd values of 0.51 and 0.71 A, respectively. Two forms of CTII preserve the structural skeleton as three large loops, including two beta-sheets with bend regions, and demonstrate structural differences at loop I, where cis/trans isomerization occurs. The CTII side-chain distribution constitutes hydrophilic and hydrophobic belts around the protein, alternating in the trend of the three main loops. Because of the Omega-shaped backbone, formed in participation with two bound water molecules, the tip of loop II bridges the tips of loops I and III. This ensures the continuity of the largest hydrophobic belt, formed with the residues of these tips. Comparison revealed pronounced differences in the spatial organization of the tips of the three main loops between CTII and previous structures of homologous cytotoxins (cardiotoxins) in solution.
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{{ABSTRACT_PUBMED_10429199}}


==About this Structure==
==About this Structure==
1CCQ is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Naja_oxiana Naja oxiana]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CCQ OCA].  
1CCQ is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Naja_oxiana Naja oxiana]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1CCQ OCA].  


==Reference==
==Reference==
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[[Category: Cis/trans isomerization]]
[[Category: Cis/trans isomerization]]
[[Category: Membrane perturbation]]
[[Category: Membrane perturbation]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May  2 12:35:18 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jun 30 20:33:49 2008''

Revision as of 17:33, 30 June 2008

File:1ccq.png

Template:STRUCTURE 1ccq

NMR STRUCTURE WITH TIGHTLY BOUND WATER MOLECULES OF CYTOTOXIN II (CARDIOTOXIN) FROM NAJA NAJA OXIANA IN AQUEOUS SOLUTION (MINOR FORM).

Template:ABSTRACT PUBMED 10429199

About this Structure

1CCQ is a Single protein structure of sequence from Naja oxiana. Full experimental information is available from OCA.

Reference

Two forms of cytotoxin II (cardiotoxin) from Naja naja oxiana in aqueous solution: spatial structures with tightly bound water molecules., Dementieva DV, Bocharov EV, Arseniev AS, Eur J Biochem. 1999 Jul;263(1):152-62. PMID:10429199

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