1ad8: Difference between revisions
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COMPLEX OF THROMBIN WITH AND INHIBITOR CONTAINING A NOVEL P1 MOIETY
OverviewOverview
An inhibitor of alpha-thrombin was designed on the basis of the X-ray, crystal structures of thrombin and trypsin. The design strategy employed, the geometric and electrostatic differences between the specificity, pockets of the two enzymes. These differences arise due to the replacement, of Ser 190 in trypsin by Ala 190 in thrombin. The new inhibitor contained, a tryptophan side chain instead of the arginine side chain that is present, in the prototypical thrombin inhibitors. This inhibitor had a Ki value of, 0.25 microM, displayed more than 400-fold specificity for thrombin over, trypsin, and doubled the rat plasma APTT at a concentration of 44.9, microM. The X-ray crystal structure of the inhibitor/alpha-thrombin, complex was determined. This represents the first reported, ... [(full description)]
About this StructureAbout this Structure
1AD8 is a [Protein complex] structure of sequences from [Hirudo medicinalis] and [Homo sapiens] with NA and MDL as [ligands]. Active as [Thrombin], with EC number [3.4.21.5]. Structure known Active Site: CAT. Full crystallographic information is available from [OCA].
ReferenceReference
Molecular design and characterization of an alpha-thrombin inhibitor containing a novel P1 moiety., Malikayil JA, Burkhart JP, Schreuder HA, Broersma RJ Jr, Tardif C, Kutcher LW 3rd, Mehdi S, Schatzman GL, Neises B, Peet NP, Biochemistry. 1997 Feb 4;36(5):1034-40. PMID:9033393
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