1xg6

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{{STRUCTURE_1xg6| PDB=1xg6 | SCENE= }}
{{STRUCTURE_1xg6| PDB=1xg6 | SCENE= }}
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'''The crystal structure of the P1 mutant (Leu to Arg)of a Winged bean chymotrypsin inhibitor(Kunitz)solved at 2.15A resolution'''
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===The crystal structure of the P1 mutant (Leu to Arg)of a Winged bean chymotrypsin inhibitor(Kunitz)solved at 2.15A resolution===
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==Overview==
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Change in specificity, caused by the mutations at P1 site, of the serine protease inhibitors of different families is reported in the literature, but Kunitz (STI) family inhibitors are almost unexplored in this regard. In this paper, we present the crystal structure of a P1 variant of winged bean chymotrypsin inhibitor (WCI) belonging to Kunitz (STI) family, supplemented by biochemical, phylogenetic and docking studies on the mutant. A single mutation (Leu--&gt;Arg) at P1 converted WCI to a strong inhibitor of trypsin with an association constant of 4.8x10(10) M(-1) which is comparable to other potent trypsin inhibitors of the family. The crystal structure (2.15 A) of this mutant (L65R) shows that its reactive site loop conformation deviates from that of WCI and adopts a structure similar to that of Erythrina caffra trypsin inhibitor (ETI) belonging to the same family. Mutation induced structural changes have also been propagated in a concerted manner to the neighboring conserved scaffolding residue Asn14, such that the side chain of this residue took an orientation similar to that of ETI and optimized the hydrogen bonds with the loop residues. While docking studies provide information about the accommodation of non-specific residues in the active site groove of trypsin, the basis of the directional alteration of the reactive site loop conformation has been understood through sequence analysis and related phylogenetic studies.
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(as it appears on PubMed at http://www.pubmed.gov), where 16081330 is the PubMed ID number.
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{{ABSTRACT_PUBMED_16081330}}
==About this Structure==
==About this Structure==
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==Reference==
==Reference==
Single mutation at P1 of a chymotrypsin inhibitor changes it to a trypsin inhibitor: X-ray structural (2.15 A) and biochemical basis., Khamrui S, Dasgupta J, Dattagupta JK, Sen U, Biochim Biophys Acta. 2005 Aug 31;1752(1):65-72. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16081330 16081330]
Single mutation at P1 of a chymotrypsin inhibitor changes it to a trypsin inhibitor: X-ray structural (2.15 A) and biochemical basis., Khamrui S, Dasgupta J, Dattagupta JK, Sen U, Biochim Biophys Acta. 2005 Aug 31;1752(1):65-72. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16081330 16081330]
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Refined crystal structure (2.3 A) of a double-headed winged bean alpha-chymotrypsin inhibitor and location of its second reactive site., Dattagupta JK, Podder A, Chakrabarti C, Sen U, Mukhopadhyay D, Dutta SK, Singh M, Proteins. 1999 May 15;35(3):321-31. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10328267 10328267]
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The role of Asn14 in the stability and conformation of the reactive-site loop of winged bean chymotrypsin inhibitor: crystal structures of two point mutants Asn14--&gt;Lys and Asn14--&gt;Asp., Ravichandran S, Dasgupta J, Chakrabarti C, Ghosh S, Singh M, Dattagupta JK, Protein Eng. 2001 May;14(5):349-57. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11438758 11438758]
[[Category: Psophocarpus tetragonolobus]]
[[Category: Psophocarpus tetragonolobus]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: Sen, U.]]
[[Category: Sen, U.]]
[[Category: Trypsin inhibitor]]
[[Category: Trypsin inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 14:59:15 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 21:15:47 2008''

Revision as of 18:15, 27 July 2008

Image:1xg6.png

Template:STRUCTURE 1xg6

The crystal structure of the P1 mutant (Leu to Arg)of a Winged bean chymotrypsin inhibitor(Kunitz)solved at 2.15A resolution

Template:ABSTRACT PUBMED 16081330

About this Structure

1XG6 is a Single protein structure of sequence from Psophocarpus tetragonolobus. Full crystallographic information is available from OCA.

Reference

Single mutation at P1 of a chymotrypsin inhibitor changes it to a trypsin inhibitor: X-ray structural (2.15 A) and biochemical basis., Khamrui S, Dasgupta J, Dattagupta JK, Sen U, Biochim Biophys Acta. 2005 Aug 31;1752(1):65-72. PMID:16081330

Refined crystal structure (2.3 A) of a double-headed winged bean alpha-chymotrypsin inhibitor and location of its second reactive site., Dattagupta JK, Podder A, Chakrabarti C, Sen U, Mukhopadhyay D, Dutta SK, Singh M, Proteins. 1999 May 15;35(3):321-31. PMID:10328267

The role of Asn14 in the stability and conformation of the reactive-site loop of winged bean chymotrypsin inhibitor: crystal structures of two point mutants Asn14-->Lys and Asn14-->Asp., Ravichandran S, Dasgupta J, Chakrabarti C, Ghosh S, Singh M, Dattagupta JK, Protein Eng. 2001 May;14(5):349-57. PMID:11438758

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