1hrt
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THE STRUCTURE OF A COMPLEX OF BOVINE ALPHA-THROMBIN AND RECOMBINANT HIRUDIN AT 2.8 ANGSTROMS RESOLUTION
OverviewOverview
Crystals of the complex of bovine alpha-thrombin with recombinant hirudin, variant 1 have space group C222(1) with cell constants a = 59.11, b =, 102.62, and c = 143.26 A. The orientation and position of the thrombin, component was determined by molecular replacement and the hirudin molecule, was fit in 2 magnitude of Fo - magnitude of Fc electron density maps. The, structure was refined by restrained least squares and simulated annealing, to R = 0.161 at 2.8-A resolution. The binding of hirudin to thrombin is, generally similar to that observed in the crystals of human, thrombin-hirudin. Several differences in the interactions of the, COOH-terminal polypeptide of hirudin, specifically of residues Asp-55h, Phe-56h, Glu-57h, and Glu-58h, and a few differences in the interactions, of the hirudin core, specifically of residues Asp-5h, Ser-19h, and, Asn-20h, with thrombin from human thrombin-hirudin suggest that there is, some flexibility in the binding of these 2 molecules. Most of the residues, in the 9 subsites that bind fibrinopeptide A7-16 to thrombin also interact, with the NH2-terminal domain of hirudin. The S1 subsite is a notable, exception in that only 1 of its 6 residues, namely Ser-214, interacts with, hirudin. The only difference between human and bovine thrombins that, appears to influence the binding of hirudin is the replacement of Lys-149E, by an acidic glutamate in the bovine enzyme.
About this StructureAbout this Structure
1HRT is a Protein complex structure of sequences from Bos taurus and Hirudo medicinalis. Active as Thrombin, with EC number 3.4.21.5 Full crystallographic information is available from OCA.
ReferenceReference
The structure of a complex of bovine alpha-thrombin and recombinant hirudin at 2.8-A resolution., Vitali J, Martin PD, Malkowski MG, Robertson WD, Lazar JB, Winant RC, Johnson PH, Edwards BF, J Biol Chem. 1992 Sep 5;267(25):17670-8. PMID:1517214
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