2vg5
From Proteopedia
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|PDB= 2vg5 |SIZE=350|CAPTION= <scene name='initialview01'>2vg5</scene>, resolution 2.80Å | |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> | |SITE= <scene name='pdbsite=AC1:Nnc+Binding+Site+For+Chain+A'>AC1</scene> | ||
| - | |LIGAND= <scene name='pdbligand=NNC:'>NNC</scene> | + | |LIGAND= <scene name='pdbligand=NNC:O-[2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ETHYL]+(4-CHLOROPHENYL)THIOCARBAMATE'>NNC</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1ajv|1AJV]], [[1hps|1HPS]], [[1d4j|1D4J]], [[1r0a|1R0A]], [[1hpz|1HPZ]], [[1hqe|1HQE]], [[1qe1|1QE1]], [[1ajx|1AJX]], [[1tvr|1TVR]], [[1ebk|1EBK]], [[1s6p|1S6P]], [[1bqm|1BQM]], [[1ikv|1IKV]], [[1w5y|1W5Y]], [[1hos|1HOS]], [[1s6q|1S6Q]], [[1ikw|1IKW]], [[3hvt|3HVT]], [[1ec1|1EC1]], [[1ec0|1EC0]], [[1t05|1T05]], [[1rvq|1RVQ]], [[1d4i|1D4I]], [[1meu|1MEU]], [[2be2|2BE2]], [[1s9g|1S9G]], [[1hnv|1HNV]], [[1rvr|1RVR]], [[1ikx|1IKX]], [[1w5w|1W5W]], [[1iky|1IKY]], [[1qmc|1QMC]], [[1n6q|1N6Q]], [[1rvn|1RVN]], [[1d4h|1D4H]], [[1hbv|1HBV]], [[1rtd|1RTD]], [[1htf|1HTF]], [[1ec2|1EC2]], [[1w5v|1W5V]], [[2hmi|2HMI]], [[2uy0|2UY0]], [[1sv5|1SV5]], [[1hmv|1HMV]], [[1s9e|1S9E]], [[1n5y|1N5Y]], [[1dlo|1DLO]], [[1heg|1HEG]], [[1rvp|1RVP]], [[1rvl|1RVL]], [[1dw6|1DW6]], [[1eet|1EET]], [[2b6a|2B6A]], [[1w5x|1W5X]], [[1hvu|1HVU]], [[1htg|1HTG]], [[1ebw|1EBW]], [[2ban|2BAN]], [[1rdh|1RDH]], [[1eby|1EBY]], [[1j5o|1J5O]], [[1hvp|1HVP]], [[1rvo|1RVO]], [[1mes|1MES]], [[1ec3|1EC3]], [[1hih|1HIH]], [[1hef|1HEF]], [[1hni|1HNI]], [[1tv6|1TV6]], [[2b5j|2B5J]], [[1ebz|1EBZ]], [[1hys|1HYS]], [[1met|1MET]], [[1t03|1T03]], [[1axa|1AXA]], [[1mer|1MER]], [[3tlh|3TLH]], [[2uxz|2UXZ]], [[1sbg|1SBG]], [[1hvk|1HVK]], [[1bqn|1BQN]], [[1suq|1SUQ]], [[1uwb|1UWB]], [[1rvm|1RVM]], [[1hte|1HTE]], [[1hrh|1HRH]], [[1hqu|1HQU]], [[2vg6|2VG6]], [[2vg7|2VG7]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2vg5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2vg5 OCA], [http://www.ebi.ac.uk/pdbsum/2vg5 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2vg5 RCSB]</span> | ||
}} | }} | ||
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[[Category: Spallarossa, A.]] | [[Category: Spallarossa, A.]] | ||
[[Category: Unge, T.]] | [[Category: Unge, T.]] | ||
| - | [[Category: NNC]] | ||
[[Category: aid]] | [[Category: aid]] | ||
[[Category: aspartyl protease]] | [[Category: aspartyl protease]] | ||
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[[Category: zinc-finger]] | [[Category: zinc-finger]] | ||
| - | ''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 05:11:51 2008'' |
Revision as of 02:11, 31 March 2008
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| , resolution 2.80Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | |||||||
| Ligands: | |||||||
| Related: | 1AJV, 1HPS, 1D4J, 1R0A, 1HPZ, 1HQE, 1QE1, 1AJX, 1TVR, 1EBK, 1S6P, 1BQM, 1IKV, 1W5Y, 1HOS, 1S6Q, 1IKW, 3HVT, 1EC1, 1EC0, 1T05, 1RVQ, 1D4I, 1MEU, 2BE2, 1S9G, 1HNV, 1RVR, 1IKX, 1W5W, 1IKY, 1QMC, 1N6Q, 1RVN, 1D4H, 1HBV, 1RTD, 1HTF, 1EC2, 1W5V, 2HMI, 2UY0, 1SV5, 1HMV, 1S9E, 1N5Y, 1DLO, 1HEG, 1RVP, 1RVL, 1DW6, 1EET, 2B6A, 1W5X, 1HVU, 1HTG, 1EBW, 2BAN, 1RDH, 1EBY, 1J5O, 1HVP, 1RVO, 1MES, 1EC3, 1HIH, 1HEF, 1HNI, 1TV6, 2B5J, 1EBZ, 1HYS, 1MET, 1T03, 1AXA, 1MER, 3TLH, 2UXZ, 1SBG, 1HVK, 1BQN, 1SUQ, 1UWB, 1RVM, 1HTE, 1HRH, 1HQU, 2VG6, 2VG7
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| 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 Mon Mar 31 05:11:51 2008
Categories: 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
