1g6x
From Proteopedia
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'''ULTRA HIGH RESOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH ALTERED BINDING LOOP SEQUENCE''' | '''ULTRA HIGH RESOLUTION STRUCTURE OF BOVINE PANCREATIC TRYPSIN INHIBITOR (BPTI) MUTANT WITH ALTERED BINDING LOOP SEQUENCE''' | ||
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[[Category: Krzywda, S.]] | [[Category: Krzywda, S.]] | ||
[[Category: Otlewski, J.]] | [[Category: Otlewski, J.]] | ||
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| - | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 17:13:00 2008'' | |
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Revision as of 14:13, 2 May 2008
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. 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 Fri May 2 17:13:00 2008
