1v6r
From Proteopedia
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|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1v6r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1v6r OCA], [http://www.ebi.ac.uk/pdbsum/1v6r PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1v6r RCSB]</span> | ||
}} | }} | ||
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==Overview== | ==Overview== | ||
Distributed computing has been implemented to the solution structure determination of endothelin-1 to evaluate efficiency of the method for NMR constraint-based structure calculations. A key target of the investigation was determination of the C-terminal folding of the peptide, which had been dispersed in previous studies of NMR, despite its pharmacological significances. With use of tens of thousands of random initial structures to explore the conformational space comprehensively, we determined high-resolution structures with good convergences of C-terminal as well as previously defined N-terminal structures. The previous studies had missed the C-terminal convergence because of initial structure dependencies trapped in localized folding of the N-terminal region, which are strongly constricted by two disulfide bonds. | Distributed computing has been implemented to the solution structure determination of endothelin-1 to evaluate efficiency of the method for NMR constraint-based structure calculations. A key target of the investigation was determination of the C-terminal folding of the peptide, which had been dispersed in previous studies of NMR, despite its pharmacological significances. With use of tens of thousands of random initial structures to explore the conformational space comprehensively, we determined high-resolution structures with good convergences of C-terminal as well as previously defined N-terminal structures. The previous studies had missed the C-terminal convergence because of initial structure dependencies trapped in localized folding of the N-terminal region, which are strongly constricted by two disulfide bonds. | ||
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| - | ==Disease== | ||
| - | Known disease associated with this structure: High density lipoprotein cholesterol level QTL 7 OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=131240 131240]] | ||
==About this Structure== | ==About this Structure== | ||
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[[Category: g-protein coupled-receptor ligand]] | [[Category: g-protein coupled-receptor ligand]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:20:12 2008'' |
Revision as of 21:20, 30 March 2008
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Solution Structure of Endothelin-1 with its C-terminal Folding
Overview
Distributed computing has been implemented to the solution structure determination of endothelin-1 to evaluate efficiency of the method for NMR constraint-based structure calculations. A key target of the investigation was determination of the C-terminal folding of the peptide, which had been dispersed in previous studies of NMR, despite its pharmacological significances. With use of tens of thousands of random initial structures to explore the conformational space comprehensively, we determined high-resolution structures with good convergences of C-terminal as well as previously defined N-terminal structures. The previous studies had missed the C-terminal convergence because of initial structure dependencies trapped in localized folding of the N-terminal region, which are strongly constricted by two disulfide bonds.
About this Structure
1V6R is a Single protein structure of sequence from [1]. Full crystallographic information is available from OCA.
Reference
Distributed computing and NMR constraint-based high-resolution structure determination: applied for bioactive Peptide endothelin-1 to determine C-terminal folding., Takashima H, Mimura N, Ohkubo T, Yoshida T, Tamaoki H, Kobayashi Y, J Am Chem Soc. 2004 Apr 14;126(14):4504-5. PMID:15070353
Page seeded by OCA on Mon Mar 31 00:20:12 2008
