2vg7 | pdb_00002vg7
CRYSTAL STRUCTURES OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXES WITH THIOCARBAMATE NON-NUCLEOSIDE INHIBITORS
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| 2vg7, resolution 2.82Å | |||||||||||||
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| Sites: | AC1 | ||||||||||||
| Ligands: | NNI | ||||||||||||
| Related: | 1AJV, 1BQM, 1D4H, 1D4I, 1DW6, 1EBK, 1EBW, 1EC0, 1EC1, 1EC2, 1EC3, 1EET, 1HNI, 1HNV, 1HPS, 1HQE, 1HTF, 1HTG, 1HYS, 1IKW, 1MES, 1MET, 1N5Y, 1N6Q, 1RDH, 1RTD, 1AJX, 1AXA, 1BQN, 1D4J, 1DLO, 1EBY, 1EBZ, 1HBV, 1HEF, 1HEG, 1HIH, 1HMV, 1HOS, 1HPZ, 1HQU, 1HRH, 1HTE, 1HVK, 1HVP, 1HVU, 1IKV, 1IKX, 1IKY, 1J5O, 1MER, 1MEU, 1QE1, 1QMC, 1RVL, 1RVN, 1RVR, 1SBG, 1T05, 1TVR, 1UWB, 1W5V, 2B5J, 2BAN, 2UXZ, 2UY0, 3HVT, 3TLH, 1R0A, 1RVM, 1RVO, 1RVP, 1RVQ, 1S6P, 1S6Q, 1S9E, 1S9G, 1SUQ, 1SV5, 1T03, 1TV6, 1W5W, 1W5X, 1W5Y, 2B6A, 2BE2, 2HMI, 2VG5, 2VG6
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
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
2VG7 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 Mon Mar 31 05:11:55 2008
Proteopedia Page Contributors and Editors (what is this?)
- Pages with broken file links
- Human immunodeficiency virus 1
- Single protein
- Bolognesi, M.
- Cesarini, S.
- Ponassi, M.
- Ranise, A.
- Spallarossa, A.
- Unge, T.
- 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
