6dwu

Crystal structure of complex of BBKI and Bovine Trypsin

spinqualitylabelsall models 6dwu, resolution 3.96Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6dwu is a 88 chain structure with sequence from Bauhinia bauhinioides and Bos taurus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 3.96Å Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function Q6VEQ7_BAUBA Publication Abstract from PubMed Structures of a recombinant Kunitz-type serine protease inhibitor from Bauhinia bauhinioides (BbKI) complexed with bovine trypsin were determined in two crystal forms. The crystal structure with the L55R mutant of BbKI was determined in space group P64 at 1.94 A resolution and that with native BbKI in the monoclinic space group P21 at 3.95 A resolution. The asymmetric unit of the latter crystals contained 44 independent complexes, thus representing one of the largest numbers of independent objects deposited in the Protein Data Bank. Additionally, the structure of the complex with native BbKI was determined at 2.0 A resolution from P64 crystals isomorphous to those of the mutant. Since BbKI has previously been found to be a potent inhibitor of the trypsin-like plasma kallikrein, it was also tested against several tissue kallikreins. It was found that BbKI is a potent inhibitor of human tissue kallikrein 4 (KLK4) and the chymotrypsin-like human tissue kallikrein 7 (KLK7). Structures of BbKI complexed with the catalytic domain of human plasma kallikrein were modeled, as well as those with KLK4 and KLK7, and the structures were analyzed in order to identify the interactions that are responsible for inhibitory potency. Crystal structures of the complex of a kallikrein inhibitor from Bauhinia bauhinioides with trypsin and modeling of kallikrein complexes.,Li M, Srp J, Gustchina A, Dauter Z, Mares M, Wlodawer A Acta Crystallogr D Struct Biol. 2019 Jan 1;75(Pt 1):56-69. doi:, 10.1107/S2059798318016492. Epub 2019 Jan 7. PMID:30644845 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Trypsin 3D structures

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