6pti
From Proteopedia
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STRUCTURE OF FORM III CRYSTALS OF BOVINE PANCREATIC TRYPSIN INHIBITOR
Overview
The structure of bovine pancreatic trypsin inhibitor has been solved in a, new crystal form III. The crystals belong to space group P2(1)2(1)2 with a, = 55.2 A, b = 38.2 A, c = 24.05 A. The structure was solved on the basis, of co-ordinates of forms I and II of the inhibitor by molecular, replacement, and the X-ray data extending to 1.7 A were used in a, restrained least-squares refinement. The final R factor was 0.16, and the, deviation of bonded distances from ideality was 0.020 A. Root-mean-square, discrepancy between C alpha co-ordinates of forms III and I are 0.47 A, whilst between forms II and III the discrepancy is 0.39 A. These, deviations are about a factor of 3 larger than the expected experimental, errors, showing that true differences exist between the three crystal, forms. Two residues (Arg39 and Asp50) were modeled with two positions for, their side-chains. The final model includes 73 water molecules and one, phosphate group bound to the protein. Sixteen water molecules occupy, approximately the same positions in all three crystal forms studied to, date, indicating their close association with the protein molecule., Temperature factors also show a high degree of correlation between the, three crystal forms.
About this Structure
6PTI is a Single protein structure of sequence from Bos taurus with PO4 as ligand. Full crystallographic information is available from OCA.
Reference
Structure of form III crystals of bovine pancreatic trypsin inhibitor., Wlodawer A, Nachman J, Gilliland GL, Gallagher W, Woodward C, J Mol Biol. 1987 Dec 5;198(3):469-80. PMID:2448484
Page seeded by OCA on Tue Nov 20 15:25:22 2007
