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1iiq

From Proteopedia

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{{STRUCTURE_1iiq| PDB=1iiq | SCENE= }}
{{STRUCTURE_1iiq| PDB=1iiq | SCENE= }}
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'''CRYSTAL STRUCTURE OF HIV-1 PROTEASE COMPLEXED WITH A HYDROXYETHYLAMINE PEPTIDOMIMETIC INHIBITOR'''
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===CRYSTAL STRUCTURE OF HIV-1 PROTEASE COMPLEXED WITH A HYDROXYETHYLAMINE PEPTIDOMIMETIC INHIBITOR===
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==Overview==
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A complex structure of HIV-1 protease with a hydroxyethylamine-containing inhibitor Boc-Phe-Psi[(S)-CH(OH)CH2NH]-Phe-Gln-Phe-NH2 has been determined by X-ray diffraction to 1.8 A resolution. The inhibitor is bound in the active site of the protease dimer with its hydroxyethylamine isostere participating in hydrogen bonds to the catalytic aspartates 25 and 25' and glycine 27' of the active site triads via five hydrogen bonds. The isostere amine interactions with the catalytic aspartates result in a displacement of the isostere hydroxy group in comparison with the common position known for analogous hydroxyethylamine containing inhibitors. A comparison with another inhibitor of this series shows that the change of one atom of the P2' side chain (Glu/Gln) leads to an altered ability of creating hydrogen bonds to the active site and within the inhibitor molecule. The diffraction data collected at a synchrotron radiation source enabled a detailed analysis of the complex solvation and of alternative conformations of protein side chains.
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(as it appears on PubMed at http://www.pubmed.gov), where 11906284 is the PubMed ID number.
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{{ABSTRACT_PUBMED_11906284}}
==About this Structure==
==About this Structure==
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[[Category: Peptidomimetic]]
[[Category: Peptidomimetic]]
[[Category: Protease]]
[[Category: Protease]]
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Revision as of 09:17, 1 July 2008

Image:1iiq.png

Template:STRUCTURE 1iiq

CRYSTAL STRUCTURE OF HIV-1 PROTEASE COMPLEXED WITH A HYDROXYETHYLAMINE PEPTIDOMIMETIC INHIBITOR

Template:ABSTRACT PUBMED 11906284

About this Structure

1IIQ is a Single protein structure of sequence from Human immunodeficiency virus - 1. Full crystallographic information is available from OCA.

Reference

Hydroxyethylamine isostere of an HIV-1 protease inhibitor prefers its amine to the hydroxy group in binding to catalytic aspartates. A synchrotron study of HIV-1 protease in complex with a peptidomimetic inhibitor., Dohnalek J, Hasek J, Duskova J, Petrokova H, Hradilek M, Soucek M, Konvalinka J, Brynda J, Sedlacek J, Fabry M, J Med Chem. 2002 Mar 28;45(7):1432-8. PMID:11906284

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