1n2v
From Proteopedia
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|PDB= 1n2v |SIZE=350|CAPTION= <scene name='initialview01'>1n2v</scene>, resolution 2.1Å | |PDB= 1n2v |SIZE=350|CAPTION= <scene name='initialview01'>1n2v</scene>, resolution 2.1Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= | + | |LIGAND= <scene name='pdbligand=BDI:2-BUTYL-5,6-DIHYDRO-1H-IMIDAZO[4,5-D]PYRIDAZINE-4,7-DIONE'>BDI</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Queuine_tRNA-ribosyltransferase Queuine tRNA-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.29 2.4.2.29] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Queuine_tRNA-ribosyltransferase Queuine tRNA-ribosyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.4.2.29 2.4.2.29] </span> |
|GENE= tgt ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=542 Zymomonas mobilis]) | |GENE= tgt ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=542 Zymomonas mobilis]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1enu|1ENU]], [[1pud|1PUD]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1n2v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1n2v OCA], [http://www.ebi.ac.uk/pdbsum/1n2v PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1n2v RCSB]</span> | ||
}} | }} | ||
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[[Category: Reuter, K.]] | [[Category: Reuter, K.]] | ||
[[Category: Stubbs, M T.]] | [[Category: Stubbs, M T.]] | ||
| - | [[Category: BDI]] | ||
| - | [[Category: ZN]] | ||
[[Category: protein-ligand complex]] | [[Category: protein-ligand complex]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 22:24:38 2008'' |
Revision as of 19:24, 30 March 2008
| |||||||
| , resolution 2.1Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Gene: | tgt (Zymomonas mobilis) | ||||||
| Activity: | Queuine tRNA-ribosyltransferase, with EC number 2.4.2.29 | ||||||
| Related: | 1ENU, 1PUD
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal Structure of TGT in complex with 2-Butyl-5,6-dihydro-1H-imidazo[4,5-d]pyridazine-4,7-dione
Overview
Eubacterial tRNA-guanine transglycosylase (TGT) is involved in the hypermodification of cognate tRNAs, leading to the exchange of G34 by preQ1 at the wobble position in the anticodon loop. Mutation of the tgt gene in Shigella flexneri results in a significant loss of pathogenicity of the bacterium due to inefficient translation of a virulence protein mRNA. Herein, we describe the discovery of a ligand with an unexpected binding mode. On the basis of this binding mode, three slightly deviating pharmacophore hypotheses have been derived. Virtual screening based on this composite pharmacophore model retrieved a set of potential TGT inhibitors belonging to several compound classes. All nine tested inhibitors being representatives of these classes showed activity in the micromolar range, two of them even in the submicromolar range.
About this Structure
1N2V is a Single protein structure of sequence from Zymomonas mobilis. Full crystallographic information is available from OCA.
Reference
Virtual screening for submicromolar leads of tRNA-guanine transglycosylase based on a new unexpected binding mode detected by crystal structure analysis., Brenk R, Naerum L, Gradler U, Gerber HD, Garcia GA, Reuter K, Stubbs MT, Klebe G, J Med Chem. 2003 Mar 27;46(7):1133-43. PMID:12646024
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