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2bb4

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|PDB= 2bb4 |SIZE=350|CAPTION= <scene name='initialview01'>2bb4</scene>, resolution 1.600&Aring;
|PDB= 2bb4 |SIZE=350|CAPTION= <scene name='initialview01'>2bb4</scene>, resolution 1.600&Aring;
|SITE=
|SITE=
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|LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ASP:ASPARTIC+ACID'>ASP</scene> and <scene name='pdbligand=PHE:PHENYLALANINE'>PHE</scene>
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|LIGAND= <scene name='pdbligand=ASP:ASPARTIC+ACID'>ASP</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PHE:PHENYLALANINE'>PHE</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>
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|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]
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|ACTIVITY= <span class='plainlinks'>[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] </span>
|GENE=
|GENE=
 +
|DOMAIN=
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|RELATEDENTRY=[[1hax|1HAX]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bb4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bb4 OCA], [http://www.ebi.ac.uk/pdbsum/2bb4 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bb4 RCSB]</span>
}}
}}
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[[Category: Schofield, C J.]]
[[Category: Schofield, C J.]]
[[Category: Wilmouth, R C.]]
[[Category: Wilmouth, R C.]]
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[[Category: ASP]]
 
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[[Category: CA]]
 
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[[Category: PHE]]
 
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[[Category: SO4]]
 
[[Category: serine proteinase]]
[[Category: serine proteinase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:59:36 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:03:45 2008''

Revision as of 23:03, 30 March 2008


PDB ID 2bb4

Drag the structure with the mouse to rotate
, resolution 1.600Å
Ligands: , , ,
Activity: Pancreatic elastase, with EC number 3.4.21.36
Related: 1HAX


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Porcine pancreatic elastase complexed with beta-casomorphin-7 and Asp-Phe at pH 5.0


Overview

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 Structure

2BB4 is a Single protein structure of sequence from Sus scrofa. Full crystallographic information is available from OCA.

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:9187653

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