1fqx

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[[Image:1fqx.jpg|left|200px]]<br /><applet load="1fqx" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1fqx.jpg|left|200px]]
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caption="1fqx, resolution 3.1&Aring;" />
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'''CRYSTAL STRUCTURE OF THE COMPLEX OF HIV-1 PROTEASE WITH A PEPTIDOMIMETIC INHIBITOR'''<br />
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{{Structure
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|PDB= 1fqx |SIZE=350|CAPTION= <scene name='initialview01'>1fqx</scene>, resolution 3.1&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=NH2:AMINO GROUP'>NH2</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=
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}}
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'''CRYSTAL STRUCTURE OF THE COMPLEX OF HIV-1 PROTEASE WITH A PEPTIDOMIMETIC INHIBITOR'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1FQX 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=NH2:'>NH2</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=1FQX OCA].
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1FQX is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus Human immunodeficiency virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FQX OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=11223536 11223536]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/11223536 11223536]
[[Category: HIV-1 retropepsin]]
[[Category: HIV-1 retropepsin]]
[[Category: Human immunodeficiency virus]]
[[Category: Human immunodeficiency virus]]
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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 12:41:40 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 11:12:47 2008''

Revision as of 09:12, 20 March 2008

Image:1fqx.jpg


PDB ID 1fqx

Drag the structure with the mouse to rotate
, resolution 3.1Å
Ligands:
Activity: HIV-1 retropepsin, with EC number 3.4.23.16
Coordinates: save as pdb, mmCIF, xml



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

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