1ajx: Difference between revisions
New page: left|200px<br /> <applet load="1ajx" size="450" color="white" frame="true" align="right" spinBox="true" caption="1ajx, resolution 2.00Å" /> '''HIV-1 PROTEASE IN C... |
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[[Image:1ajx.gif|left|200px]]<br /> | [[Image:1ajx.gif|left|200px]]<br /><applet load="1ajx" size="350" color="white" frame="true" align="right" spinBox="true" | ||
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caption="1ajx, resolution 2.00Å" /> | caption="1ajx, resolution 2.00Å" /> | ||
'''HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC UREA INHIBITOR AHA001'''<br /> | '''HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC UREA INHIBITOR AHA001'''<br /> | ||
==Overview== | ==Overview== | ||
Two cyclic, C2-symmetric HIV-1 protease inhibitors, one sulfamide and one | Two cyclic, C2-symmetric HIV-1 protease inhibitors, one sulfamide and one urea derivative, both comprising phenyl ether groups in the P1/P1' positions, were cocrystallized with HIV-1 protease, and the crystal structures were determined to 2.0 A resolution. The structure of the urea 2 showed a conformation similar to that reported for the related urea 3 by Lam et al., while the sulfamide 1 adopted an unanticipated conformation in which the P1' and P2' side chains were transposed. | ||
==About this Structure== | ==About this Structure== | ||
1AJX 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 AH1 as [http://en.wikipedia.org/wiki/ligand ligand]. 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:// | 1AJX 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=AH1:'>AH1</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. 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=1AJX 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 Thu Feb 21 11:45:18 2008'' | ||
Revision as of 09:45, 21 February 2008
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HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC UREA INHIBITOR AHA001
Overview
Two cyclic, C2-symmetric HIV-1 protease inhibitors, one sulfamide and one urea derivative, both comprising phenyl ether groups in the P1/P1' positions, were cocrystallized with HIV-1 protease, and the crystal structures were determined to 2.0 A resolution. The structure of the urea 2 showed a conformation similar to that reported for the related urea 3 by Lam et al., while the sulfamide 1 adopted an unanticipated conformation in which the P1' and P2' side chains were transposed.
About this Structure
1AJX is a Single protein structure of sequence from Human immunodeficiency virus 1 with AH1 as ligand. Active as HIV-1 retropepsin, with EC number 3.4.23.16 Full crystallographic information is available from OCA.
Reference
Unexpected binding mode of a cyclic sulfamide HIV-1 protease inhibitor., Backbro K, Lowgren S, Osterlund K, Atepo J, Unge T, Hulten J, Bonham NM, Schaal W, Karlen A, Hallberg A, J Med Chem. 1997 Mar 14;40(6):898-902. PMID:9083478
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