2bda: Difference between revisions
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'''Porcine pancreatic elastase complexed with N-acetyl-NPI and Ala-Ala at pH 5.0''' | {{Structure | ||
|PDB= 2bda |SIZE=350|CAPTION= <scene name='initialview01'>2bda</scene>, resolution 1.800Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> and <scene name='pdbligand=ALA:ALANINE'>ALA</scene> | |||
|ACTIVITY= [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] | |||
|GENE= | |||
}} | |||
'''Porcine pancreatic elastase complexed with N-acetyl-NPI and Ala-Ala at pH 5.0''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2BDA is a [ | 2BDA is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2BDA OCA]. | ||
==Reference== | ==Reference== | ||
Structure of a specific acyl-enzyme complex formed between beta-casomorphin-7 and porcine pancreatic elastase., Wilmouth RC, Clifton IJ, Robinson CV, Roach PL, Aplin RT, Westwood NJ, Hajdu J, Schofield CJ, Nat Struct Biol. 1997 Jun;4(6):456-62. PMID:[http:// | Structure of a specific acyl-enzyme complex formed between beta-casomorphin-7 and porcine pancreatic elastase., Wilmouth RC, Clifton IJ, Robinson CV, Roach PL, Aplin RT, Westwood NJ, Hajdu J, Schofield CJ, Nat Struct Biol. 1997 Jun;4(6):456-62. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9187653 9187653] | ||
[[Category: Pancreatic elastase]] | [[Category: Pancreatic elastase]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: serine proteinase]] | [[Category: serine proteinase]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:00:26 2008'' | ||
Revision as of 17:00, 20 March 2008
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| , resolution 1.800Å | |||||||
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| Ligands: | , and | ||||||
| Activity: | Pancreatic elastase, with EC number 3.4.21.36 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Porcine pancreatic elastase complexed with N-acetyl-NPI and Ala-Ala at pH 5.0
OverviewOverview
Mass spectrometric screening reveals that an unmodified natural heptapeptide--human beta-casomorphin-7, an internal sequence of human beta-casein that possesses opioid-like activity--reacts with porcine pancreatic elastase to form an unusually stable acyl-enzyme complex at low pH. X-ray crystallographic analysis (to 1.9 A resolution) at pH 5 shows continuous electron density linking the C-terminal isoleucine of beta-casomorphin-7 to Ser 195 through an ester bond. The structure reveals a well defined water molecule (Wat 317), equidistant between the carbon of the ester carbonyl and N epsilon 2 of His 57. Deprotonation of Wat 317 will produce a hydroxide ion positioned to attack the ester carbonyl through the favoured Burgi-Dunitz trajectory.
About this StructureAbout this Structure
2BDA is a Single protein structure of sequence from Sus scrofa. Full crystallographic information is available from OCA.
ReferenceReference
Structure of a specific acyl-enzyme complex formed between beta-casomorphin-7 and porcine pancreatic elastase., Wilmouth RC, Clifton IJ, Robinson CV, Roach PL, Aplin RT, Westwood NJ, Hajdu J, Schofield CJ, Nat Struct Biol. 1997 Jun;4(6):456-62. PMID:9187653
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