1u8g
From Proteopedia
(New page: 200px<br /> <applet load="1u8g" size="450" color="white" frame="true" align="right" spinBox="true" caption="1u8g, resolution 2.201Å" /> '''Crystal structure ...) |
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caption="1u8g, resolution 2.201Å" /> | caption="1u8g, resolution 2.201Å" /> | ||
'''Crystal structure of a HIV-1 Protease in complex with peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2'''<br /> | '''Crystal structure of a HIV-1 Protease in complex with peptidomimetic inhibitor KI2-PHE-GLU-GLU-NH2'''<br /> | ||
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==About this Structure== | ==About this Structure== | ||
| - | 1U8G 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 NH2 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:// | + | 1U8G 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=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=1U8G OCA]. |
==Reference== | ==Reference== | ||
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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:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 16:59:45 2008'' |
Revision as of 14:59, 15 February 2008
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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 with as ligand. Active as HIV-1 retropepsin, with EC number 3.4.23.16 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
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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
