3bei: Difference between revisions
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==About this Structure== | ==About this Structure== | ||
3BEI is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=NAG:'>NAG</scene> and <scene name='pdbligand=GOL:'>GOL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BEI OCA]. | 3BEI is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=NAG:'>NAG</scene> and <scene name='pdbligand=GOL:'>GOL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5] Known structural/functional Sites: <scene name='pdbsite=AC1:Nag Binding Site For Residue B 303'>AC1</scene>, <scene name='pdbsite=AC2:Gol Binding Site For Residue B 301'>AC2</scene> and <scene name='pdbsite=AC3:Gol Binding Site For Residue B 302'>AC3</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BEI OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: zymogen]] | [[Category: zymogen]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Jan 31 11:02:26 2008'' | ||
Revision as of 12:02, 31 January 2008
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Crystal structure of the slow form of thrombin in a self_inhibited conformation
OverviewOverview
The activating effect of Na(+) on thrombin is allosteric and depends on, the conformational transition from a low activity Na(+)-free (slow) form, to a high activity Na(+)-bound (fast) form. The structures of these active, forms have been solved. Recent structures of thrombin obtained in the, absence of Na(+) have also documented inactive conformations that, presumably exist in equilibrium with the active slow form. The validity of, these inactive slow form structures, however, is called into question by, the presence of packing interactions involving the Na(+) site and the, active site regions. Here, we report a 1.87A resolution structure of, thrombin in the absence of inhibitors and salts with a single molecule in, the asymmetric unit and devoid of significant packing interactions in, regions involved in the allosteric slow --> fast transition. The structure, shows an unprecedented self-inhibited conformation where Trp-215 and, Arg-221a relocate >10A to occlude the active site and the primary, specificity pocket, and the guanidinium group of Arg-187 penetrates the, protein core to fill the empty Na(+)-binding site. The extreme mobility of, Trp-215 was investigated further with the W215P mutation. Remarkably, the, mutation significantly compromises cleavage of the anticoagulant protein C, but has no effect on the hydrolysis of fibrinogen and PAR1. These findings, demonstrate that thrombin may assume an inactive conformation in the, absence of Na(+) and that its procoagulant and anticoagulant activities, are closely linked to the mobility of residue 215.
About this StructureAbout this Structure
3BEI is a Protein complex structure of sequences from Homo sapiens with and as ligands. Active as Thrombin, with EC number 3.4.21.5 Known structural/functional Sites: , and . Full crystallographic information is available from OCA.
ReferenceReference
Crystal structure of thrombin in a self-inhibited conformation., Pineda AO, Chen ZW, Bah A, Garvey LC, Mathews FS, Di Cera E, J Biol Chem. 2006 Oct 27;281(43):32922-8. Epub 2006 Sep 5. PMID:16954215
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