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X-ray crystallographic data to 2.57 A resolution (1 A = 0.1 nm) have been measured for the complex of a peptidyl trifluoromethylketone inhibitor with porcine pancreatic elastase (PPE); R = 0.14. The inhibitor forms a stable complex with the enzyme by means of a covalent attachment to active site Ser195O gamma, resulting in a hemiketal moiety with tetrahedral geometry. The tripeptide protion binds as an antiparallel beta-sheet, with four hydrogen bonds augmenting the active-site covalent linkage, Ki = 9.5 microM. His57 exhibits a bifurcated H-bond to both Ser195O gamma and an F atom of the inhibitor. This study is one of a series which explores the binding geometry of a variety of small substrates and inhibitors to PPE. This peptidyl-PPE complex affords insight into the binding geometry of a novel trifluoromethylketone moiety to a serine proteinase.
L H Takahashi, and
R Radhakrishnan, and
R E Rosenfield, and
E F Meyer, and
D A Trainor, and
M Stein
April 2002,
Acta crystallographica. Section D, Biological crystallography,
L H Takahashi, and
R Radhakrishnan, and
R E Rosenfield, and
E F Meyer, and
D A Trainor, and
M Stein
August 2004,
Protein and peptide letters,
L H Takahashi, and
R Radhakrishnan, and
R E Rosenfield, and
E F Meyer, and
D A Trainor, and
M Stein
April 2007,
Acta crystallographica. Section F, Structural biology and crystallization communications,
L H Takahashi, and
R Radhakrishnan, and
R E Rosenfield, and
E F Meyer, and
D A Trainor, and
M Stein
January 2003,
Bioorganic & medicinal chemistry letters,
L H Takahashi, and
R Radhakrishnan, and
R E Rosenfield, and
E F Meyer, and
D A Trainor, and
M Stein
August 1994,
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L H Takahashi, and
R Radhakrishnan, and
R E Rosenfield, and
E F Meyer, and
D A Trainor, and
M Stein
January 1990,
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L H Takahashi, and
R Radhakrishnan, and
R E Rosenfield, and
E F Meyer, and
D A Trainor, and
M Stein
March 1958,
Henry Ford Hospital medical bulletin,
L H Takahashi, and
R Radhakrishnan, and
R E Rosenfield, and
E F Meyer, and
D A Trainor, and
M Stein
January 1988,
Biochemistry,
L H Takahashi, and
R Radhakrishnan, and
R E Rosenfield, and
E F Meyer, and
D A Trainor, and
M Stein
November 1966,
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L H Takahashi, and
R Radhakrishnan, and
R E Rosenfield, and
E F Meyer, and
D A Trainor, and
M Stein
April 2019,
ACS medicinal chemistry letters,
