2vg5
From Proteopedia
| Line 1: | Line 1: | ||
| - | [[Image:2vg5.jpg|left|200px]] | + | [[Image:2vg5.jpg|left|200px]] |
| - | + | ||
| - | '''CRYSTAL STRUCTURES OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXES WITH THIOCARBAMATE NON-NUCLEOSIDE INHIBITORS''' | + | {{Structure |
| + | |PDB= 2vg5 |SIZE=350|CAPTION= <scene name='initialview01'>2vg5</scene>, resolution 2.80Å | ||
| + | |SITE= <scene name='pdbsite=AC1:Nnc+Binding+Site+For+Chain+A'>AC1</scene> | ||
| + | |LIGAND= <scene name='pdbligand=NNC:'>NNC</scene> | ||
| + | |ACTIVITY= | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''CRYSTAL STRUCTURES OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXES WITH THIOCARBAMATE NON-NUCLEOSIDE INHIBITORS''' | ||
| + | |||
==Overview== | ==Overview== | ||
| Line 7: | Line 16: | ||
==About this Structure== | ==About this Structure== | ||
| - | 2VG5 is a [ | + | 2VG5 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=2VG5 OCA]. |
==Reference== | ==Reference== | ||
| - | Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors., Spallarossa A, Cesarini S, Ranise A, Ponassi M, Unge T, Bolognesi M, Biochem Biophys Res Commun. 2008 Jan 25;365(4):764-70. Epub 2007 Nov 21. PMID:[http:// | + | Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors., Spallarossa A, Cesarini S, Ranise A, Ponassi M, Unge T, Bolognesi M, Biochem Biophys Res Commun. 2008 Jan 25;365(4):764-70. Epub 2007 Nov 21. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18035053 18035053] |
[[Category: Human immunodeficiency virus 1]] | [[Category: Human immunodeficiency virus 1]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
| Line 20: | Line 29: | ||
[[Category: Unge, T.]] | [[Category: Unge, T.]] | ||
[[Category: NNC]] | [[Category: NNC]] | ||
| - | [[Category: | + | [[Category: aid]] |
[[Category: aspartyl protease]] | [[Category: aspartyl protease]] | ||
[[Category: capsid maturation]] | [[Category: capsid maturation]] | ||
| Line 37: | Line 46: | ||
[[Category: multifunctional enzyme]] | [[Category: multifunctional enzyme]] | ||
[[Category: myristate]] | [[Category: myristate]] | ||
| - | [[Category: non-nucleoside reverse transcriptase | + | [[Category: non-nucleoside reverse transcriptase inhibitor]] |
[[Category: nuclease]] | [[Category: nuclease]] | ||
[[Category: nucleotidyltransferase]] | [[Category: nucleotidyltransferase]] | ||
| Line 46: | Line 55: | ||
[[Category: rna-binding]] | [[Category: rna-binding]] | ||
[[Category: rna-directed dna polymerase]] | [[Category: rna-directed dna polymerase]] | ||
| - | [[Category: | + | [[Category: thiocarbamate]] |
[[Category: transferase]] | [[Category: transferase]] | ||
[[Category: viral nucleoprotein]] | [[Category: viral nucleoprotein]] | ||
| Line 53: | Line 62: | ||
[[Category: zinc-finger]] | [[Category: zinc-finger]] | ||
| - | ''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 18:46:13 2008'' |
Revision as of 16:46, 20 March 2008
| |||||||
| , resolution 2.80Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | |||||||
| Ligands: | |||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
CRYSTAL STRUCTURES OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXES WITH THIOCARBAMATE NON-NUCLEOSIDE INHIBITORS
Overview
O-Phthalimidoethyl-N-arylthiocarbamates (TCs) have been recently identified as a new class of potent HIV-1 reverse transcriptase (RT) non-nucleoside inhibitors (NNRTIs), by means of computer-aided drug design techniques [Ranise A. Spallarossa, S. Cesarini, F. Bondavalli, S. Schenone, O. Bruno, G. Menozzi, P. Fossa, L. Mosti, M. La Colla, et al., Structure-based design, parallel synthesis, structure-activity relationship, and molecular modeling studies of thiocarbamates, new potent non-nucleoside HIV-1 reverse transcriptase inhibitor isosteres of phenethylthiazolylthiourea derivatives, J. Med. Chem. 48 (2005) 3858-3873]. To elucidate the atomic details of RT/TC interaction and validate an earlier TC docking model, the structures of three RT/TC complexes were determined at 2.8-3.0A resolution by X-ray crystallography. The conformations adopted by the enzyme-bound TCs were analyzed and compared with those of bioisosterically related NNRTIs.
About this Structure
2VG5 is a Single protein structure of sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA.
Reference
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors., Spallarossa A, Cesarini S, Ranise A, Ponassi M, Unge T, Bolognesi M, Biochem Biophys Res Commun. 2008 Jan 25;365(4):764-70. Epub 2007 Nov 21. PMID:18035053
Page seeded by OCA on Thu Mar 20 18:46:13 2008
Categories: Human immunodeficiency virus 1 | Single protein | Bolognesi, M. | Cesarini, S. | Ponassi, M. | Ranise, A. | Spallarossa, A. | Unge, T. | NNC | Aid | Aspartyl protease | Capsid maturation | Core protein | Cytoplasm | Dna integration | Dna recombination | Dna-directed dna polymerase | Endonuclease | Hiv-1 | Hydrolase | Lipoprotein | Magnesium | Membrane | Metal-binding | Multifunctional enzyme | Myristate | Non-nucleoside reverse transcriptase inhibitor | Nuclease | Nucleotidyltransferase | Nucleus | Phosphorylation | Protease | Reverse transcriptase | Rna-binding | Rna-directed dna polymerase | Thiocarbamate | Transferase | Viral nucleoprotein | Virion | Zinc | Zinc-finger
