1bhc

BOVINE PANCREATIC TRYPSIN INHIBITOR CRYSTALLIZED FROM THIOCYANATE

Overview

The structure of a monoclinic form of bovine pancreatic trypsin inhibitor, (BPTI) crystallized from a thiocyanate solution has been determined and, refined at 2.7 A resolution. The space group is P21 with a = 71.56, b =, 73.83, c = 64.47 A, beta = 93.9 degrees and Z = 20. The ten independent, molecules were located by a multi-body molecular-replacement search as, developed in the AMoRe program, starting from a single monomer model (PDB, code: 6PTI). The molecular arrangement of the subunits is a decamer, resulting from the combination of two orthogonal fivefold and twofold, non-crystallographic axes. This builds a globular micelle-like particle, which minimizes hydrophobic interactions with the solvent. The refinement, was conducted with non-crystallographic symmetry constraints up to a final, residual of R = 0.20 (Rfree= 0.26). The root-mean-square deviations from, ideal geometry were 0.015 A and 1.6 degrees on bond distances and bond, angles, respectively. Several sites for thiocyanate ions were analyzed.

About this Structure

1BHC is a Single protein structure of sequence from Bos taurus with SCN as ligand. Full crystallographic information is available from OCA.

Reference

The decameric structure of bovine pancreatic trypsin inhibitor (BPTI) crystallized from thiocyanate at 2.7 A resolution., Hamiaux C, Prange T, Ries-Kautt M, Ducruix A, Lafont S, Astier JP, Veesler S, Acta Crystallogr D Biol Crystallogr. 1999 Jan;55(Pt 1):103-13. Epub 1999, Jan 1. PMID:10089400

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