5pti

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[[Image:5pti.gif|left|200px]]
[[Image:5pti.gif|left|200px]]
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{{Structure
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The line below this paragraph, containing "STRUCTURE_5pti", creates the "Structure Box" on the page.
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|LIGAND= <scene name='pdbligand=DOD:DEUTERATED+WATER'>DOD</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=UNK:UNKNOWN'>UNK</scene>
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{{STRUCTURE_5pti| PDB=5pti | SCENE= }}
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5pti FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5pti OCA], [http://www.ebi.ac.uk/pdbsum/5pti PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=5pti RCSB]</span>
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'''STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF CRYSTAL FORM II'''
'''STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF CRYSTAL FORM II'''
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[[Category: Huber, R.]]
[[Category: Huber, R.]]
[[Category: Wlodawer, A.]]
[[Category: Wlodawer, A.]]
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[[Category: proteinase inhibitor (trypsin)]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 22:37:12 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:42:08 2008''
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Revision as of 19:37, 4 May 2008

Image:5pti.gif

Template:STRUCTURE 5pti

STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT OF CRYSTAL FORM II


Overview

The structure of form II crystals of bovine pancreatic trypsin inhibitor has been investigated by joint refinement of X-ray and neutron data. Crystallographic R factors for the final model were 0.200 for the X-ray data extending to 1 A resolution and 0.197 for the 1.8 A neutron data. This model was strongly restrained, with 0.020 A root-mean-square (r.m.s.) departure of bond lengths from their ideal values and 0.019 A r.m.s. departure of planar groups from planarity. The resulting structure was very similar to that of crystal form I (r.m.s. deviation for main chain atoms was 0.40 A); nevertheless larger deviations were observed in particular regions of the chain. Twenty out of 63 ordered water molecules occupy similar positions (deviation less than 1 A) in both models. Eleven amide hydrogens were found to be protected from exchange after three months of soaking the crystals in deuterated mother liquor at pH 8.2. Their locations were in excellent agreement with the results obtained by two-dimensional nuclear magnetic resonance, but the rates of exchange are much lower in the crystalline state.

About this Structure

5PTI is a Single protein structure of sequence from Bos taurus. Full crystallographic information is available from OCA.

Reference

Structure of bovine pancreatic trypsin inhibitor. Results of joint neutron and X-ray refinement of crystal form II., Wlodawer A, Walter J, Huber R, Sjolin L, J Mol Biol. 1984 Dec 5;180(2):301-29. PMID:6210373 Page seeded by OCA on Sun May 4 22:37:12 2008

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