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PDBsum entry 6dwf
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Contents |
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(+ 0 more)
223 a.a.
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(+ 0 more)
163 a.a.
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References listed in PDB file
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Key reference
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Title
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Crystal structures of the complex of a kallikrein inhibitor from bauhinia bauhinioides with trypsin and modeling of kallikrein complexes.
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Authors
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M.Li,
J.Srp,
A.Gustchina,
Z.Dauter,
M.Mares,
A.Wlodawer.
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Ref.
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Acta Crystallogr D Struct Biol, 2019,
75,
56-69.
[DOI no: ]
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PubMed id
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Abstract
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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 Å resolution and that with native BbKI in
the monoclinic space group P21 at 3.95 Å 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 Å 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.
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