1njt

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{{STRUCTURE_1njt| PDB=1njt | SCENE= }}
{{STRUCTURE_1njt| PDB=1njt | SCENE= }}
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'''COMPLEX STRUCTURE OF HCMV PROTEASE AND A PEPTIDOMIMETIC INHIBITOR'''
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===COMPLEX STRUCTURE OF HCMV PROTEASE AND A PEPTIDOMIMETIC INHIBITOR===
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==Overview==
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Herpesvirus protease is required for the life cycle of the virus and is an attractive target for the design and development of new anti-herpes agents. The protease belongs to a new class of serine proteases, with a novel backbone fold and a unique Ser-His-His catalytic triad. Here we report the crystal structures of human cytomegalovirus protease in complex with two peptidomimetic inhibitors. The structures reveal a new hydrogen-bonding interaction between the main chain carbonyl of the P(5) residue and the main chain amide of amino acid 137 of the protease, which is important for the binding affinity of the inhibitor. Conformational flexibility was observed in the S(3) pocket of the enzyme, and this is supported by our characterization of several mutants in this pocket. One of the structures is at 2.5 A resolution, allowing us for the first time to locate ordered solvent molecules in the inhibitor complex. The presence of two solvent molecules in the active site may have implications for the design of new inhibitors against this enzyme. Favorable and stereospecific interactions have been established in the S(1)' pocket for one of these inhibitors.
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(as it appears on PubMed at http://www.pubmed.gov), where 12549906 is the PubMed ID number.
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{{ABSTRACT_PUBMED_12549906}}
==About this Structure==
==About this Structure==
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[[Category: Peptidomimetic inhibitor]]
[[Category: Peptidomimetic inhibitor]]
[[Category: Protease]]
[[Category: Protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 02:37:08 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 02:35:04 2008''

Revision as of 23:35, 28 July 2008

Template:STRUCTURE 1njt

COMPLEX STRUCTURE OF HCMV PROTEASE AND A PEPTIDOMIMETIC INHIBITOR

Template:ABSTRACT PUBMED 12549906

About this Structure

1NJT is a Single protein structure of sequence from Human herpesvirus 5. Full crystallographic information is available from OCA.

Reference

Structural and biochemical studies of inhibitor binding to human cytomegalovirus protease., Khayat R, Batra R, Qian C, Halmos T, Bailey M, Tong L, Biochemistry. 2003 Feb 4;42(4):885-91. PMID:12549906

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