1u8g
From Proteopedia
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| - | [[Image:1u8g.jpg|left|200px]] | + | [[Image:1u8g.jpg|left|200px]] |
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| - | '''Crystal structure of a HIV-1 Protease in complex with peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2''' | + | {{Structure |
| + | |PDB= 1u8g |SIZE=350|CAPTION= <scene name='initialview01'>1u8g</scene>, resolution 2.201Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=NH2:AMINO GROUP'>NH2</scene> | ||
| + | |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] | ||
| + | |GENE= gag-pol ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11676 Human immunodeficiency virus 1]) | ||
| + | }} | ||
| + | |||
| + | '''Crystal structure of a HIV-1 Protease in complex with peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1U8G is a [ | + | 1U8G is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1U8G OCA]. |
==Reference== | ==Reference== | ||
| - | Inhibitor binding at the protein interface in crystals of a HIV-1 protease complex., Brynda J, Rezacova P, Fabry M, Horejsi M, Stouracova R, Soucek M, Hradilek M, Konvalinka J, Sedlacek J, Acta Crystallogr D Biol Crystallogr. 2004 Nov;60(Pt 11):1943-8. Epub 2004, Oct 20. PMID:[http:// | + | Inhibitor binding at the protein interface in crystals of a HIV-1 protease complex., Brynda J, Rezacova P, Fabry M, Horejsi M, Stouracova R, Soucek M, Hradilek M, Konvalinka J, Sedlacek J, Acta Crystallogr D Biol Crystallogr. 2004 Nov;60(Pt 11):1943-8. Epub 2004, Oct 20. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15502300 15502300] |
[[Category: HIV-1 retropepsin]] | [[Category: HIV-1 retropepsin]] | ||
[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
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[[Category: hydrolase/hydrolase inhibitor; aspartyl protease; human immunodeficiency virus; inhibitor design]] | [[Category: hydrolase/hydrolase inhibitor; aspartyl protease; human immunodeficiency virus; inhibitor design]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:28:37 2008'' |
Revision as of 12:28, 20 March 2008
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| , resolution 2.201Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Gene: | gag-pol (Human immunodeficiency virus 1) | ||||||
| Activity: | HIV-1 retropepsin, with EC number 3.4.23.16 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal structure of a HIV-1 Protease in complex with peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2
Overview
Depending on the excess of ligand used for complex formation, the HIV-1 protease complexed with a novel phenylnorstatine inhibitor forms crystals of either hexagonal (P6(1)) or orthorhombic (P2(1)2(1)2(1)) symmetry. The orthorhombic form shows an unusual complexity of crystal packing: in addition to one inhibitor molecule that is bound to the enzyme active site, the second inhibitor molecule is bound as an outer ligand at the protein interface. Binding of the outer ligand apparently increases the crystal-quality parameters so that the diffraction data allow solution of the structure of the complex at 1.03 A, the best resolution reported to date. The outer ligand interacts with all four surrounding HIV-1 protease molecules and has a bent conformation owing to its accommodation in the intermolecular space. The parameters of the solved structures of the orthorhombic and hexagonal forms are compared.
About this Structure
1U8G is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.
Reference
Inhibitor binding at the protein interface in crystals of a HIV-1 protease complex., Brynda J, Rezacova P, Fabry M, Horejsi M, Stouracova R, Soucek M, Hradilek M, Konvalinka J, Sedlacek J, Acta Crystallogr D Biol Crystallogr. 2004 Nov;60(Pt 11):1943-8. Epub 2004, Oct 20. PMID:15502300
Page seeded by OCA on Thu Mar 20 14:28:37 2008
Categories: HIV-1 retropepsin | Human immunodeficiency virus 1 | Single protein | Brynda, J. | Fabry, M. | Horejsi, M. | Hradilek, M. | Konvalinka, J. | Rezacova, P. | Sedlacek, J. | Soucek, R. | Stouracova, R. | NH2 | Hydrolase/hydrolase inhibitor; aspartyl protease; human immunodeficiency virus; inhibitor design
