1oa5: Difference between revisions

Revision as of 15:15, 21 February 2008

THE SOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR AT HIGH PRESSURE

OverviewOverview

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 StructureAbout this Structure

1OA5 is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.

ReferenceReference

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 Thu Feb 21 14:15:14 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

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-[[Image:1oa5.jpg|left|200px]]<br /><applet load="1oa5" size="450" color="white" frame="true" align="right" spinBox="true"
+[[Image:1oa5.jpg|left|200px]]<br /><applet load="1oa5" size="350" color="white" frame="true" align="right" spinBox="true"
 caption="1oa5" />
 '''THE SOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR AT HIGH PRESSURE'''<br />
 ==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.
+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==
-OA5 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1OA5 OCA].
+OA5 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1OA5 OCA].
 ==Reference==
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 [[Category: Akasaka, K.]]
 [[Category: Refaee, M.]]
-[[Category: Williamson, M.P.]]
+[[Category: Williamson, M P.]]
 [[Category: protease inhibitor]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 22:53:11 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 14:15:14 2008''