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1ajv

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[[Image:1ajv.jpg|left|200px]]<br /><applet load="1ajv" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1ajv.jpg|left|200px]]
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caption="1ajv, resolution 2.00&Aring;" />
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'''HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC SULFAMIDE INHIBITOR AHA006'''<br />
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{{Structure
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|PDB= 1ajv |SIZE=350|CAPTION= <scene name='initialview01'>1ajv</scene>, resolution 2.00&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=NMB:2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-4,5-DIOL'>NMB</scene>
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|ACTIVITY= [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]
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|GENE= PROTEASE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id= Human immunodeficiency virus type 1 (isolate 12)])
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}}
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'''HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC SULFAMIDE INHIBITOR AHA006'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1AJV is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_type_1_(isolate_12) Human immunodeficiency virus type 1 (isolate 12)] with <scene name='pdbligand=NMB:'>NMB</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=1AJV OCA].
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1AJV is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_type_1_(isolate_12) Human immunodeficiency virus type 1 (isolate 12)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1AJV OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9083478 9083478]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/9083478 9083478]
[[Category: HIV-1 retropepsin]]
[[Category: HIV-1 retropepsin]]
[[Category: Human immunodeficiency virus type 1 (isolate 12)]]
[[Category: Human immunodeficiency virus type 1 (isolate 12)]]
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[[Category: protease]]
[[Category: protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 11:45:17 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 09:58:37 2008''

Revision as of 07:58, 20 March 2008


PDB ID 1ajv

Drag the structure with the mouse to rotate
, resolution 2.00Å
Ligands:
Gene: PROTEASE (Human immunodeficiency virus type 1 (isolate 12))
Activity: HIV-1 retropepsin, with EC number 3.4.23.16
Coordinates: save as pdb, mmCIF, xml



HIV-1 PROTEASE IN COMPLEX WITH THE CYCLIC SULFAMIDE INHIBITOR AHA006


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

1AJV is a Single protein structure of sequence from Human immunodeficiency virus type 1 (isolate 12). 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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