2q3k: Difference between revisions
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'''Crystal Structure of Lysine Sulfonamide Inhibitor Reveals the Displacement of the Conserved Flap Water Molecule in HIV-1 Protease''' | {{Structure | ||
|PDB= 2q3k |SIZE=350|CAPTION= <scene name='initialview01'>2q3k</scene>, resolution 2.00Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene> and <scene name='pdbligand=MUW:N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE'>MUW</scene> | |||
|ACTIVITY= | |||
|GENE= pol ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11676 Human immunodeficiency virus 1]) | |||
}} | |||
'''Crystal Structure of Lysine Sulfonamide Inhibitor Reveals the Displacement of the Conserved Flap Water Molecule in HIV-1 Protease''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2Q3K is a [ | 2Q3K 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=2Q3K OCA]. | ||
==Reference== | ==Reference== | ||
Crystal structure of lysine sulfonamide inhibitor reveals the displacement of the conserved flap water molecule in human immunodeficiency virus type 1 protease., Nalam MN, Peeters A, Jonckers TH, Dierynck I, Schiffer CA, J Virol. 2007 Sep;81(17):9512-8. Epub 2007 Jun 27. PMID:[http:// | Crystal structure of lysine sulfonamide inhibitor reveals the displacement of the conserved flap water molecule in human immunodeficiency virus type 1 protease., Nalam MN, Peeters A, Jonckers TH, Dierynck I, Schiffer CA, J Virol. 2007 Sep;81(17):9512-8. Epub 2007 Jun 27. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17596316 17596316] | ||
[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: drug design]] | [[Category: drug design]] | ||
[[Category: hiv-1 protease]] | [[Category: hiv-1 protease]] | ||
[[Category: protease | [[Category: protease inhibitor]] | ||
[[Category: viral protein]] | [[Category: viral protein]] | ||
''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 18:21:10 2008'' | ||
Revision as of 19:21, 20 March 2008
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| , resolution 2.00Å | |||||||
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| Ligands: | , and | ||||||
| Gene: | pol (Human immunodeficiency virus 1) | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal Structure of Lysine Sulfonamide Inhibitor Reveals the Displacement of the Conserved Flap Water Molecule in HIV-1 Protease
OverviewOverview
Human immunodeficiency virus type 1 (HIV-1) protease has been continuously evolving and developing resistance to all of the protease inhibitors. This requires the development of new inhibitors that bind to the protease in a novel fashion. Most of the inhibitors that are on the market are peptidomimetics, where a conserved water molecule mediates hydrogen bonding interactions between the inhibitors and the flaps of the protease. Recently a new class of inhibitors, lysine sulfonamides, was developed to combat the resistant variants of HIV protease. Here we report the crystal structure of a lysine sulfonamide. This inhibitor binds to the active site of HIV-1 protease in a novel manner, displacing the conserved water and making extensive hydrogen bonds with every region of the active site.
About this StructureAbout this Structure
2Q3K is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.
ReferenceReference
Crystal structure of lysine sulfonamide inhibitor reveals the displacement of the conserved flap water molecule in human immunodeficiency virus type 1 protease., Nalam MN, Peeters A, Jonckers TH, Dierynck I, Schiffer CA, J Virol. 2007 Sep;81(17):9512-8. Epub 2007 Jun 27. PMID:17596316
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