1od1

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1od1, resolution 1.37Å

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ENDOTHIAPEPSIN PD135,040 COMPLEX

Overview

The crystal structure of endothiapepsin complexed with the gem-diol, inhibitor PD-135,040 has been anisotropically refined to a resolution of, 1.37 A. The structure of this inhibitor complex is in agreement with, previous structures of endothiapepsin gem-diol inhibitor complexes that, have been used to develop proposed catalytic mechanisms. However, the, increase in resolution over previous structures confirms the presence of a, number of short hydrogen bonds within the active site that are likely to, play an important role in the catalytic mechanism. The presence of, low-barrier hydrogen bonds was indicated in a previous one-dimensional H, NMR spectrum.

About this Structure

1OD1 is a Protein complex structure of sequences from Cryphonectria parasitica with SO4 as ligand. Active as Endothiapepsin, with EC number 3.4.23.22 Known structural/functional Site: . Full crystallographic information is available from OCA.

Reference

The structure of endothiapepsin complexed with the gem-diol inhibitor PD-135,040 at 1.37 A., Coates L, Erskine PT, Mall S, Williams PA, Gill RS, Wood SP, Cooper JB, Acta Crystallogr D Biol Crystallogr. 2003 Jun;59(Pt 6):978-81. Epub 2003, May 23. PMID:12777758

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