1fqx

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[[Image:1fqx.jpg|left|200px]]
[[Image:1fqx.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1fqx |SIZE=350|CAPTION= <scene name='initialview01'>1fqx</scene>, resolution 3.1&Aring;
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The line below this paragraph, containing "STRUCTURE_1fqx", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=BOC:TERT-BUTYL+HYDROGEN+CARBONATE'>BOC</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene>, <scene name='pdbligand=PS0:3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL'>PS0</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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|DOMAIN=
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{{STRUCTURE_1fqx| PDB=1fqx | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1fqx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fqx OCA], [http://www.ebi.ac.uk/pdbsum/1fqx PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1fqx RCSB]</span>
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}}
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'''CRYSTAL STRUCTURE OF THE COMPLEX OF HIV-1 PROTEASE WITH A PEPTIDOMIMETIC INHIBITOR'''
'''CRYSTAL STRUCTURE OF THE COMPLEX OF HIV-1 PROTEASE WITH A PEPTIDOMIMETIC INHIBITOR'''
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[[Category: Sedlacek, J.]]
[[Category: Sedlacek, J.]]
[[Category: Soucek, M.]]
[[Category: Soucek, M.]]
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[[Category: aspartyl protease]]
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[[Category: Aspartyl protease]]
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[[Category: drug design]]
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[[Category: Drug design]]
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[[Category: hiv]]
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[[Category: Hiv]]
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[[Category: hydroxyethylamine isostere]]
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[[Category: Hydroxyethylamine isostere]]
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[[Category: inhibitor]]
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[[Category: Inhibitor]]
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[[Category: peptidomimetic]]
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[[Category: Peptidomimetic]]
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[[Category: protease]]
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[[Category: Protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 16:39:46 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:28:31 2008''
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Revision as of 13:39, 2 May 2008

Template:STRUCTURE 1fqx

CRYSTAL STRUCTURE OF THE COMPLEX OF HIV-1 PROTEASE WITH A PEPTIDOMIMETIC INHIBITOR


Overview

Crystallization conditions for an HIV-1 protease-inhibitor complex were optimized to produce crystals suitable for X-ray diffraction experiments. The X-ray structure of the HIV-1 protease complex was solved and refined at 3.1 A resolution. In contrast to Saquinavir, the mimetic hydroxy group of the inhibitor Boc-Phe-Psi[(S)-CH(OH)CH(2)NH]-Phe-Glu-Phe-NH(2) is placed asymmetrically with respect to the non-crystallographic twofold axis of the protease dimer so that hydrogen bonds between the amino group of the inhibitor and the catalytic aspartates can be formed. The inhibitor binds in the centre of the active site by a compact network of hydrogen bonds to Gly27, Gly127, Asp25, Asp125 and via the buried water molecule W301 to Ile50 and Ile150.

About this Structure

1FQX is a Single protein structure of sequence from Human immunodeficiency virus. Full crystallographic information is available from OCA.

Reference

A distinct binding mode of a hydroxyethylamine isostere inhibitor of HIV-1 protease., Dohnalek J, Hasek J, Duskova J, Petrokova H, Hradilek M, Soucek M, Konvalinka J, Brynda J, Sedlacek J, Fabry M, Acta Crystallogr D Biol Crystallogr. 2001 Mar;57(Pt 3):472-6. PMID:11223536 Page seeded by OCA on Fri May 2 16:39:46 2008

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