1jrr
From Proteopedia
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|PDB= 1jrr |SIZE=350|CAPTION= <scene name='initialview01'>1jrr</scene>, resolution 1.60Å | |PDB= 1jrr |SIZE=350|CAPTION= <scene name='initialview01'>1jrr</scene>, resolution 1.60Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene> | + | |LIGAND= <scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1by7|1BY7]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1jrr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jrr OCA], [http://www.ebi.ac.uk/pdbsum/1jrr PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1jrr RCSB]</span> | ||
}} | }} | ||
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[[Category: Jankova, L.]] | [[Category: Jankova, L.]] | ||
[[Category: Saunders, D N.]] | [[Category: Saunders, D N.]] | ||
| - | [[Category: ACE]] | ||
| - | [[Category: BME]] | ||
[[Category: peptide binding]] | [[Category: peptide binding]] | ||
[[Category: serpin]] | [[Category: serpin]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:38:03 2008'' |
Revision as of 18:38, 30 March 2008
| |||||||
| , resolution 1.60Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Related: | 1BY7
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
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. 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
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