1oa5
From Proteopedia
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'''THE SOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR AT HIGH PRESSURE''' | '''THE SOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR AT HIGH PRESSURE''' | ||
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[[Category: Refaee, M.]] | [[Category: Refaee, M.]] | ||
[[Category: Williamson, M P.]] | [[Category: Williamson, M P.]] | ||
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| - | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 03:35:05 2008'' | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | |
Revision as of 00:35, 3 May 2008
THE SOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR AT HIGH PRESSURE
Overview
The solution structure of bovine pancreatic trypsin inhibitor (BPTI) at a pressure of 2 kbar is presented. The structure was calculated as a change from an energy-minimized low-pressure structure, using (1)H chemical shifts as restraints. The structure has changed by 0.24 A RMS, and has almost unchanged volume. The largest changes as a result of pressure are in the loop 10-16, which contains the active site of BPTI, and residues 38-42, which are adjacent to buried water molecules. Hydrogen bonds are compressed by 0.029 +/- 0.117 A, with the longer hydrogen bonds, including those to internal buried water molecules, being compressed more. The hydrophobic core is also compressed, largely from reduction of packing defects. The parts of the structure that have the greatest change are close to buried water molecules, thus highlighting the importance of water molecules as the nucleation sites for volume fluctuation of proteins in native conditions.
About this Structure
1OA5 is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.
Reference
The solution structure of bovine pancreatic trypsin inhibitor at high pressure., Williamson MP, Akasaka K, Refaee M, Protein Sci. 2003 Sep;12(9):1971-9. PMID:12930996 Page seeded by OCA on Sat May 3 03:35:05 2008
