1aht
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(New page: 200px<br /> <applet load="1aht" size="450" color="white" frame="true" align="right" spinBox="true" caption="1aht, resolution 1.6Å" /> '''CRYSTAL STRUCTURE OF...)
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Revision as of 13:52, 12 November 2007
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CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND P-AMIDINOPHENYLPYRUVATE) AT 1.6 ANGSTROMS RESOLUTION
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Overview
Crystals of human alpha-thrombin complexed with hirugen and the alpha-keto, acid thrombin inhibitor APPA (p-amidinophenylpyruvate) that diffract to, 1.6 A resolution were obtained by soaking an alpha-thrombin-hirugen, crystal in a solution of APPA. The crystal structure was determined using, the difference Fourier method and refined to an R factor of 18.7% at 1.6 A, resolution. This structure is the highest resolution structure of the, thrombin molecule that is currently available. With the exception of the, region near Arg77A-Asn78, the structures of the thrombin and hirugen, molecules in the ternary complex are similar to those reported for the, thrombin-hirugen binary complex. As previously determined for the, APPA-trypsin complex, the carbonyl carbon atom of APPA forms a covalent, bond with O gamma of Ser195 of thrombin to yield a "transition-state", analog of the tetrahedral intermediate. Comparison of the specificity, pocket of the APPA complexes of thrombin and trypsin reveals differences, in hydrogen bonding and shows for the first time that the S1 site of, thrombin is larger than that of trypsin and as a result thrombin may be, able to accommodate a bulkier P1 group than trypsin.
Disease
Known diseases associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]
About this Structure
1AHT is a Protein complex structure of sequences from Homo sapiens with APA as ligand. Active as Thrombin, with EC number 3.4.21.5 Full crystallographic information is available from OCA.
Reference
Crystal structure of human alpha-thrombin complexed with hirugen and p-amidinophenylpyruvate at 1.6 A resolution., Chen Z, Li Y, Mulichak AM, Lewis SD, Shafer JA, Arch Biochem Biophys. 1995 Sep 10;322(1):198-203. PMID:7574675
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