1u8g
From Proteopedia
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|PDB= 1u8g |SIZE=350|CAPTION= <scene name='initialview01'>1u8g</scene>, resolution 2.201Å | |PDB= 1u8g |SIZE=350|CAPTION= <scene name='initialview01'>1u8g</scene>, resolution 2.201Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=NH2:AMINO GROUP'>NH2</scene> | + | |LIGAND= <scene name='pdbligand=KI2:3-BENZYLOXYCARBONYLAMINO-2-HYDROXY-4-PHENYL-BUTYRIC+ACID'>KI2</scene>, <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] | + | |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> |
|GENE= gag-pol ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11676 Human immunodeficiency virus 1]) | |GENE= gag-pol ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11676 Human immunodeficiency virus 1]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1nh0|1NH0]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1u8g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u8g OCA], [http://www.ebi.ac.uk/pdbsum/1u8g PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1u8g RCSB]</span> | ||
}} | }} | ||
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[[Category: Soucek, R.]] | [[Category: Soucek, R.]] | ||
[[Category: Stouracova, R.]] | [[Category: Stouracova, R.]] | ||
| - | [[Category: | + | [[Category: aspartyl protease]] |
| - | [[Category: hydrolase/hydrolase inhibitor | + | [[Category: human immunodeficiency virus]] |
| + | [[Category: hydrolase/hydrolase inhibitor]] | ||
| + | [[Category: inhibitor design]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:06:44 2008'' |
Revision as of 21:06, 30 March 2008
| |||||||
| , resolution 2.201Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Gene: | gag-pol (Human immunodeficiency virus 1) | ||||||
| Activity: | HIV-1 retropepsin, with EC number 3.4.23.16 | ||||||
| Related: | 1NH0
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| 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 Mon Mar 31 00:06:44 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. | Aspartyl protease | Human immunodeficiency virus | Hydrolase/hydrolase inhibitor | Inhibitor design
