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1qrp

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[[Image:1qrp.gif|left|200px]]
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{{STRUCTURE_1qrp| PDB=1qrp | SCENE= }}
{{STRUCTURE_1qrp| PDB=1qrp | SCENE= }}
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'''HUMAN PEPSIN 3A IN COMPLEX WITH A PHOSPHONATE INHIBITOR IVA-VAL-VAL-LEU(P)-(O) PHE-ALA-ALA-OME'''
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===HUMAN PEPSIN 3A IN COMPLEX WITH A PHOSPHONATE INHIBITOR IVA-VAL-VAL-LEU(P)-(O) PHE-ALA-ALA-OME===
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==Overview==
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The refined crystal structure of the complex between human pepsin and a synthetic phosphonate inhibitor, Iva-Val-Val-Leu(P)-(O)Phe-Ala-Ala-OMe [Iva = isovaleryl, Leu(P) = the phosphinic acid analog of L-leucine, (O)Phe = L-3-phenyllactic acid, OMe = methyl ester], is presented. The structure was refined using diffraction data between 30 and 1.96 A resolution to a final R factor ( summation operator| |F(o)| - |F(c)| | / summation operator|F(o)|, where |F(o)| and |F(c)| are the observed and calculated structure-factor amplitudes, respectively) of 20.0%. The interactions of the inhibitor with the enzyme show the locations of the binding sites on the enzyme from S4 to S3'. Modeling of the inhibitor binding to porcine pepsin shows very similar binding sites, except at S4. Comparison of the complex structure with the structures of related inhibitors bound to penicillopepsin helps to rationalize the observed differences in the binding constants. The convergence of reaction mechanisms and geometries in different families of proteinases is also discussed.
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(as it appears on PubMed at http://www.pubmed.gov), where 10713513 is the PubMed ID number.
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{{ABSTRACT_PUBMED_10713513}}
==About this Structure==
==About this Structure==
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[[Category: Phosphonate inhibitor]]
[[Category: Phosphonate inhibitor]]
[[Category: Transition state analogue]]
[[Category: Transition state analogue]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 06:37:40 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Jul 27 15:41:27 2008''

Revision as of 12:41, 27 July 2008

Image:1qrp.png

Template:STRUCTURE 1qrp

HUMAN PEPSIN 3A IN COMPLEX WITH A PHOSPHONATE INHIBITOR IVA-VAL-VAL-LEU(P)-(O) PHE-ALA-ALA-OME

Template:ABSTRACT PUBMED 10713513

About this Structure

1QRP is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structural study of the complex between human pepsin and a phosphorus-containing peptidic -transition-state analog., Fujinaga M, Cherney MM, Tarasova NI, Bartlett PA, Hanson JE, James MN, Acta Crystallogr D Biol Crystallogr. 2000 Mar;56(Pt 3):272-9. PMID:10713513

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