7hvp: Difference between revisions

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[[Image:7hvp.gif|left|200px]]<br />

[[Image:7hvp.gif|left|200px]]<br /><applet load="7hvp" size="350" color="white" frame="true" align="right" spinBox="true"

<applet load="7hvp" size="~~450~~" color="white" frame="true" align="right" spinBox="true"

caption="7hvp, resolution 2.4Å" />

'''X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR'''<br />

==Overview==

The structure of a crystal complex of the chemically synthesized protease, of human immunodeficiency virus 1 with a heptapeptide-derived inhibitor, bound in the active site has been determined. The sequence of the, inhibitor JG-365 is Ac-Ser-Leu-Asn-Phe-psi[CH(OH)CH2N]-Pro-Ile-Val-OMe;, the Ki is 0.24 nM. The hydroxyethylamine moiety, in place of the normal, scissile bond of the substrate, is believed to mimic a tetrahedral, reaction intermediate. The structure of the complex has been refined to an, R factor of 0.146 at 2.4-A resolution by using restrained least squares, with rms deviations in bond lengths of 0.02 A and bond angles of 4. The, bound inhibitor diastereomer has the S configuration at the, hydroxyethylamine chiral carbon, and the hydroxyl group is positioned, between the active site aspartate carboxyl groups within hydrogen bonding, distance. Comparison of this structure with a reduced peptide bond, inhibitor-protease complex indicates that these contacts confer the, exceptional binding strength of JG-365.

The structure of a crystal complex of the chemically synthesized protease of human immunodeficiency virus 1 with a heptapeptide-derived inhibitor bound in the active site has been determined. The sequence of the inhibitor JG-365 is Ac-Ser-Leu-Asn-Phe-psi[CH(OH)CH2N]-Pro-Ile-Val-OMe; the Ki is 0.24 nM. The hydroxyethylamine moiety, in place of the normal scissile bond of the substrate, is believed to mimic a tetrahedral reaction intermediate. The structure of the complex has been refined to an R factor of 0.146 at 2.4-A resolution by using restrained least squares with rms deviations in bond lengths of 0.02 A and bond angles of 4. The bound inhibitor diastereomer has the S configuration at the hydroxyethylamine chiral carbon, and the hydroxyl group is positioned between the active site aspartate carboxyl groups within hydrogen bonding distance. Comparison of this structure with a reduced peptide bond inhibitor-protease complex indicates that these contacts confer the exceptional binding strength of JG-365.

==About this Structure==

7HVP is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1] with ACE, CH2 and OME as [http://en.wikipedia.org/wiki/ligands ligands]. The following page contains interesting information on the relation of 7HVP with [[http://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/pdb6_1.html HIV-1 Protease]]. Full crystallographic information is available from [http://~~ispc~~.weizmann.ac.il/oca-bin/ocashort?id=7HVP OCA].

7HVP is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1] with <scene name='pdbligand=ACE:'>ACE</scene>, <scene name='pdbligand=CH2:'>CH2</scene> and <scene name='pdbligand=OME:'>OME</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. The following page contains interesting information on the relation of 7HVP with [[http://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/pdb6_1.html HIV-1 Protease]]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7HVP OCA].

==Reference==

Line 16:

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[[Category: Single protein]]

[[Category: Green, J.]]

[[Category: Kent, S.B.H.]]

[[Category: Kent, S B.H.]]

[[Category: Miller, M.M.]]

[[Category: Miller, M M.]]

[[Category: Rich, D.H.]]

[[Category: Rich, D H.]]

[[Category: Schneider, J.]]

[[Category: Swain, A.L.]]

[[Category: Swain, A L.]]

[[Category: Wlodawer, A.]]

[[Category: ACE]]

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[[Category: hydrolase(acid proteinase)]]

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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 19:17:09 2008''

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@@ Line 1: / Line 1: @@
-[[Image:7hvp.gif|left|200px]]<br />
+[[Image:7hvp.gif|left|200px]]<br /><applet load="7hvp" size="350" color="white" frame="true" align="right" spinBox="true"
-<applet load="7hvp" size="450" color="white" frame="true" align="right" spinBox="true"
 caption="7hvp, resolution 2.4&Aring;" />
 '''X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN A SYNTHETIC PROTEASE OF HUMAN IMMUNODEFICIENCY VIRUS 1 AND A SUBSTRATE-BASED HYDROXYETHYLAMINE INHIBITOR'''<br />
 ==Overview==
-The structure of a crystal complex of the chemically synthesized protease, of human immunodeficiency virus 1 with a heptapeptide-derived inhibitor, bound in the active site has been determined. The sequence of the, inhibitor JG-365 is Ac-Ser-Leu-Asn-Phe-psi[CH(OH)CH2N]-Pro-Ile-Val-OMe;, the Ki is 0.24 nM. The hydroxyethylamine moiety, in place of the normal, scissile bond of the substrate, is believed to mimic a tetrahedral, reaction intermediate. The structure of the complex has been refined to an, R factor of 0.146 at 2.4-A resolution by using restrained least squares, with rms deviations in bond lengths of 0.02 A and bond angles of 4. The, bound inhibitor diastereomer has the S configuration at the, hydroxyethylamine chiral carbon, and the hydroxyl group is positioned, between the active site aspartate carboxyl groups within hydrogen bonding, distance. Comparison of this structure with a reduced peptide bond, inhibitor-protease complex indicates that these contacts confer the, exceptional binding strength of JG-365.
+The structure of a crystal complex of the chemically synthesized protease of human immunodeficiency virus 1 with a heptapeptide-derived inhibitor bound in the active site has been determined. The sequence of the inhibitor JG-365 is Ac-Ser-Leu-Asn-Phe-psi[CH(OH)CH2N]-Pro-Ile-Val-OMe; the Ki is 0.24 nM. The hydroxyethylamine moiety, in place of the normal scissile bond of the substrate, is believed to mimic a tetrahedral reaction intermediate. The structure of the complex has been refined to an R factor of 0.146 at 2.4-A resolution by using restrained least squares with rms deviations in bond lengths of 0.02 A and bond angles of 4. The bound inhibitor diastereomer has the S configuration at the hydroxyethylamine chiral carbon, and the hydroxyl group is positioned between the active site aspartate carboxyl groups within hydrogen bonding distance. Comparison of this structure with a reduced peptide bond inhibitor-protease complex indicates that these contacts confer the exceptional binding strength of JG-365.
 ==About this Structure==
-HVP is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1] with ACE, CH2 and OME as [http://en.wikipedia.org/wiki/ligands ligands]. The following page contains interesting information on the relation of 7HVP with [[http://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/pdb6_1.html HIV-1 Protease]]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=7HVP OCA].
+HVP is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1] with <scene name='pdbligand=ACE:'>ACE</scene>, <scene name='pdbligand=CH2:'>CH2</scene> and <scene name='pdbligand=OME:'>OME</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. The following page contains interesting information on the relation of 7HVP with [[http://pdb.rcsb.org/pdb/static.do?p=education_discussion/molecule_of_the_month/pdb6_1.html HIV-1 Protease]]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7HVP OCA].
 ==Reference==
@@ Line 16: / Line 15: @@
 [[Category: Single protein]]
 [[Category: Green, J.]]
-[[Category: Kent, S.B.H.]]
+[[Category: Kent, S B.H.]]
-[[Category: Miller, M.M.]]
+[[Category: Miller, M M.]]
-[[Category: Rich, D.H.]]
+[[Category: Rich, D H.]]
 [[Category: Schneider, J.]]
-[[Category: Swain, A.L.]]
+[[Category: Swain, A L.]]
 [[Category: Wlodawer, A.]]
 [[Category: ACE]]
@@ Line 27: / Line 26: @@
 [[Category: hydrolase(acid proteinase)]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Thu Nov  8 14:59:37 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 19:17:09 2008''