1g6x

From Proteopedia

Revision as of 13:38, 20 November 2007

ULTRA HIGH RESOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH ALTERED BINDING LOOP SEQUENCE

Overview

The crystal structure of a mutant of bovine pancreatic trypsin inhibitor, has been refined to 0.86 A resolution using low-temperature synchrotron, data. The variant contains three mutations in the binding loop (Thr11Ala, Pro13Ala, Lys15Arg) and an unrelated Met52Leu substitution. Refinement, with anisotropic displacement parameters and with removal of main-chain, stereochemical restraints converged with R = 0.1035. The use of, full-matrix refinement provided an estimate of the variances in the, derived parameters. Some stereochemical parameters, such as the planarity, of the peptide group and the value of the N-C(alpha)-C angle, show a wide, spread, suggesting that the standard values used as restraints in protein, structure refinements may not always be entirely appropriate. Comparison, with the recently determined room-temperature structure of the same mutant, at 1.42 A resolution confirms the previous observations and provides new, details, such as a double conformation of the main chain at Leu29 and at, Gly56-Gly57, a high proportion (over 20%) of residues in double, conformations, correlation of disorder through lattice contacts and the, positions of H atoms, including those in water molecules, and their, involvement in C-H...O and N-H...pi hydrogen bonds.

About this Structure

1G6X is a Single protein structure of sequence from Bos taurus with SO4 and EDO as ligands. Full crystallographic information is available from OCA.

Reference

Ultrahigh-resolution structure of a BPTI mutant., Addlagatta A, Krzywda S, Czapinska H, Otlewski J, Jaskolski M, Acta Crystallogr D Biol Crystallogr. 2001 May;57(Pt 5):649-63. Epub 2001, Apr 24. PMID:11320305

Page seeded by OCA on Tue Nov 20 15:46:02 2007