1hri
From Proteopedia
(New page: 200px<br /><applet load="1hri" size="450" color="white" frame="true" align="right" spinBox="true" caption="1hri, resolution 3.0Å" /> '''STRUCTURE DETERMINATI...) |
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| - | [[Image:1hri.jpg|left|200px]]<br /><applet load="1hri" size=" | + | [[Image:1hri.jpg|left|200px]]<br /><applet load="1hri" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1hri, resolution 3.0Å" /> | caption="1hri, resolution 3.0Å" /> | ||
'''STRUCTURE DETERMINATION OF ANTIVIRAL COMPOUND SCH 38057 COMPLEXED WITH HUMAN RHINOVIRUS 14'''<br /> | '''STRUCTURE DETERMINATION OF ANTIVIRAL COMPOUND SCH 38057 COMPLEXED WITH HUMAN RHINOVIRUS 14'''<br /> | ||
==Overview== | ==Overview== | ||
| - | SCH 38057 (1-[6-(2-chloro-4-methoxyphenoxy)-hexyl]imidazole hydrochloride) | + | SCH 38057 (1-[6-(2-chloro-4-methoxyphenoxy)-hexyl]imidazole hydrochloride) is a new, water-soluble antiviral compound that has inhibitory activities against a number of picornavirus infections. The structure of the human rhinovirus 14 (HRV14) complex with SCH 38057 was determined at 3.0 A resolution by single-crystal diffraction techniques using synchrotron X-radiation. SCH 38057 was found to bind at the innermost end of the hydrophobic pocket within the capsid protein VP1, a locus of binding of other antipicornaviral agents; however, the complex differs from previously reported complexes in two important aspects. It leaves a considerable volume near the entrance to the binding pocket unoccupied. In addition, the alterations in the conformation of the VP1 polypeptide are similar to, but more extensive than those observed in HRV14 complexes with other antiviral agents. Although only 9 amino acids of VP1 have close contacts with the SCH 38057 molecule (within 3.6 A), at least 36 amino acids from both VP1 and VP3 have significantly altered conformations (C alpha movement > 0.5 A versus native). The structures of complexes of HRV14 with SCH 38057 and WIN 51711 are compared. Aromatic ring interactions between picornavirus capsid residues and antiviral inhibitors are proposed to be among the major determinants for positioning of these compounds. |
==About this Structure== | ==About this Structure== | ||
| - | 1HRI is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Human_rhinovirus_10 Human rhinovirus 10] with S57 as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http:// | + | 1HRI is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Human_rhinovirus_10 Human rhinovirus 10] with <scene name='pdbligand=S57:'>S57</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1HRI OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Protein complex]] | [[Category: Protein complex]] | ||
[[Category: Arnold, E.]] | [[Category: Arnold, E.]] | ||
| - | [[Category: Nanni, R | + | [[Category: Nanni, R G.]] |
| - | [[Category: Oren, D | + | [[Category: Oren, D A.]] |
[[Category: Zhang, A.]] | [[Category: Zhang, A.]] | ||
[[Category: S57]] | [[Category: S57]] | ||
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[[Category: icosahedral virus]] | [[Category: icosahedral virus]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 13:04:08 2008'' |
Revision as of 11:04, 21 February 2008
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STRUCTURE DETERMINATION OF ANTIVIRAL COMPOUND SCH 38057 COMPLEXED WITH HUMAN RHINOVIRUS 14
Overview
SCH 38057 (1-[6-(2-chloro-4-methoxyphenoxy)-hexyl]imidazole hydrochloride) is a new, water-soluble antiviral compound that has inhibitory activities against a number of picornavirus infections. The structure of the human rhinovirus 14 (HRV14) complex with SCH 38057 was determined at 3.0 A resolution by single-crystal diffraction techniques using synchrotron X-radiation. SCH 38057 was found to bind at the innermost end of the hydrophobic pocket within the capsid protein VP1, a locus of binding of other antipicornaviral agents; however, the complex differs from previously reported complexes in two important aspects. It leaves a considerable volume near the entrance to the binding pocket unoccupied. In addition, the alterations in the conformation of the VP1 polypeptide are similar to, but more extensive than those observed in HRV14 complexes with other antiviral agents. Although only 9 amino acids of VP1 have close contacts with the SCH 38057 molecule (within 3.6 A), at least 36 amino acids from both VP1 and VP3 have significantly altered conformations (C alpha movement > 0.5 A versus native). The structures of complexes of HRV14 with SCH 38057 and WIN 51711 are compared. Aromatic ring interactions between picornavirus capsid residues and antiviral inhibitors are proposed to be among the major determinants for positioning of these compounds.
About this Structure
1HRI is a Protein complex structure of sequences from Human rhinovirus 10 with as ligand. Full crystallographic information is available from OCA.
Reference
Structure determination of antiviral compound SCH 38057 complexed with human rhinovirus 14., Zhang A, Nanni RG, Li T, Arnold GF, Oren DA, Jacobo-Molina A, Williams RL, Kamer G, Rubenstein DA, Li Y, et al., J Mol Biol. 1993 Apr 5;230(3):857-67. PMID:8386772
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