1jrr

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spinqualitylabelsall models 1jrr, resolution 1.60Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

HUMAN PLASMINOGEN ACTIVATOR INHIBITOR-2.[LOOP (66-98) DELETIONMUTANT] COMPLEXED WITH PEPTIDE MIMIckING THE REACTIVE CENTER LOOP

Overview

The structure of the serpin, plasminogen activator inhibitor type-2, (PAI-2), in a complex with a peptide mimicking its reactive center loop, (RCL) has been determined at 1.6-A resolution. The structure shows the, relaxed state serpin structure with a prominent six-stranded beta-sheet., Clear electron density is seen for all residues in the peptide. The P1, residue of the peptide binds to a well defined pocket at the base of PAI-2, that may be important in determining the specificity of protease, inhibition. The stressed-to-relaxed state (S --> R) transition in PAI-2, can be modeled as the relative motion between a quasirigid core domain and, a smaller segment comprising helix hF and beta-strands s1A, s2A, and s3A., A comparison of the Ramachandran plots of the stressed and relaxed state, PAI-2 structures reveals the location of several hinge regions connecting, these two domains. The hinge regions cluster in three locations on the, structure, ensuring a cooperative S --> R transition. We hypothesize that, the hinge formed by the conserved Gly(206) on beta-strand s3A in the, breach region of PAI-2 effects the S --> R transition by altering its, backbone torsion angles. This torsional change is due to the binding of, the P14 threonine of the RCL to the open breach region of PAI-2.

About this Structure

1JRR is a Protein complex structure of sequences from Homo sapiens with ACE and BME as ligands. Full crystallographic information is available from OCA.

Reference

Crystal structure of the complex of plasminogen activator inhibitor 2 with a peptide mimicking the reactive center loop., Jankova L, Harrop SJ, Saunders DN, Andrews JL, Bertram KC, Gould AR, Baker MS, Curmi PM, J Biol Chem. 2001 Nov 16;276(46):43374-82. Epub 2001 Aug 23. PMID:11546761

Page seeded by OCA on Mon Nov 12 17:43:48 2007