1aid
From Proteopedia
(New page: 200px<br /> <applet load="1aid" size="450" color="white" frame="true" align="right" spinBox="true" caption="1aid, resolution 2.2Å" /> '''STRUCTURE OF A NON-P...) |
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| - | [[Image:1aid. | + | [[Image:1aid.jpg|left|200px]]<br /><applet load="1aid" size="350" color="white" frame="true" align="right" spinBox="true" |
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caption="1aid, resolution 2.2Å" /> | caption="1aid, resolution 2.2Å" /> | ||
'''STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN'''<br /> | '''STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1AID is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus Human immunodeficiency virus] with CL and THK as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/HIV-1_retropepsin HIV-1 retropepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.16 3.4.23.16] Full crystallographic information is available from [http:// | + | 1AID is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus Human immunodeficiency virus] with <scene name='pdbligand=CL:'>CL</scene> and <scene name='pdbligand=THK:'>THK</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/HIV-1_retropepsin HIV-1 retropepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.16 3.4.23.16] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AID OCA]. |
==Reference== | ==Reference== | ||
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[[Category: protease]] | [[Category: protease]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 15:28:58 2008'' |
Revision as of 13:28, 15 February 2008
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STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN
Overview
A stable, non-peptide inhibitor of the protease from type 1 human, immunodeficiency virus has been developed, and the stereochemistry of, binding defined through crystallographic three-dimensional structure, determination. The initial compound, haloperidol, was discovered through, computational screening of the Cambridge Structural Database using a shape, complementarity algorithm. The subsequent modification is a non-peptidic, lateral lead, which belongs to a family of compounds with well, characterized pharmacological properties. This thioketal derivative of, haloperidol and a halide counterion are bound within the enzyme active, site in a mode distinct from the observed for peptide-based inhibitors. A, variant of the protease cocrystallized with this inhibitor shows binding, in the manner predicted during the initial computer-based search. The, structures provide the context for subsequent synthetic modifications of, the inhibitor.
About this Structure
1AID is a Single protein structure of sequence from Human immunodeficiency virus with and as ligands. Active as HIV-1 retropepsin, with EC number 3.4.23.16 Full crystallographic information is available from OCA.
Reference
Structure of a non-peptide inhibitor complexed with HIV-1 protease. Developing a cycle of structure-based drug design., Rutenber E, Fauman EB, Keenan RJ, Fong S, Furth PS, Ortiz de Montellano PR, Meng E, Kuntz ID, DeCamp DL, Salto R, et al., J Biol Chem. 1993 Jul 25;268(21):15343-6. PMID:8340363
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