1e36: Difference between revisions
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[[Image:1e36.gif|left|200px]]<br /> | [[Image:1e36.gif|left|200px]]<br /><applet load="1e36" size="450" color="white" frame="true" align="right" spinBox="true" | ||
<applet load="1e36" size="450" color="white" frame="true" align="right" spinBox="true" | |||
caption="1e36, resolution 1.70Å" /> | caption="1e36, resolution 1.70Å" /> | ||
'''PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE'''<br /> | '''PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
1E36 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa] with CA, SO4 and TPY as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] | 1E36 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa] with CA, SO4 and TPY as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Pancreatic_elastase Pancreatic elastase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.36 3.4.21.36] Known structural/functional Site: <scene name='pdbsite=CAT:Catalytic Site'>CAT</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1E36 OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: serine proteinase]] | [[Category: serine proteinase]] | ||
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Revision as of 15:43, 18 December 2007
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PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL-3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE
OverviewOverview
beta-Lactams inhibit a range of enzymes via acylation of nucleophilic, serine residues. Certain gamma-lactam analogues of monocyclic beta-lactams, have also been shown to be reversible inhibitors of porcine pancreatic, elastase (PPE), forming acyl-enzyme complexes that are stable with respect, to hydrolysis. Crystallographic analysis at pH 5 of an acyl-enzyme complex, formed with PPE and one of these inhibitors revealed the ester carbonyl, located in the oxyanion hole in a similar conformation to that observed in, the structure of a complex formed between a heptapeptide, (beta-casomorphin-7) and PPE. Only weak electron density was observed for, the His-57 side chain in its 'native' conformation. Instead, the His-57, side chain predominantly adopted a conformation rotated approx. 90 degrees, from its normal position. PPE-gamma-lactam crystals were subjected to, 'pH-jumps' by placing the crystals in a buffer of increased pH prior to, freezing for data collection. The results indicate that the conformation, of the gamma-lactam-derived acyl-enzyme species in the PPE active site is, dependent on pH, a result having implications for the analysis of other, serine protease-inhibitor structures at non-catalytic pH values. The, results help to define the stereoelectronic relationship between the ester, of the acyl-enzyme complex, the side chain of His-57 and the incoming, nucleophile during the reversible (de)acylation steps, implying it is, closely analogous to the hydrolytic deacylation step during catalytic, peptide hydrolysis.
About this StructureAbout this Structure
1E36 is a Single protein structure of sequence from Sus scrofa with CA, SO4 and TPY as ligands. Active as Pancreatic elastase, with EC number 3.4.21.36 Known structural/functional Site: . Full crystallographic information is available from OCA.
ReferenceReference
'pH-jump' crystallographic analyses of gamma-lactam-porcine pancreatic elastase complexes., Wright PA, Wilmouth RC, Clifton IJ, Schofield CJ, Biochem J. 2000 Oct 15;351 Pt 2:335-40. PMID:11023818
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