2hq5
From Proteopedia
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|PDB= 2hq5 |SIZE=350|CAPTION= <scene name='initialview01'>2hq5</scene>, resolution 2.80Å | |PDB= 2hq5 |SIZE=350|CAPTION= <scene name='initialview01'>2hq5</scene>, resolution 2.80Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=SO4:SULFATE ION'>SO4</scene> | + | |LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= qacR, SAVP031 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 Staphylococcus aureus]) | |GENE= qacR, SAVP031 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1280 Staphylococcus aureus]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1rpw|1RPW]], [[1rkw|1RKW]], [[1jt6|1JT6]], [[2dtz|2DTZ]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2hq5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2hq5 OCA], [http://www.ebi.ac.uk/pdbsum/2hq5 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2hq5 RCSB]</span> | ||
}} | }} | ||
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[[Category: Brennan, R G.]] | [[Category: Brennan, R G.]] | ||
[[Category: Brooks, B E.]] | [[Category: Brooks, B E.]] | ||
| - | [[Category: SO4]] | ||
[[Category: db359]] | [[Category: db359]] | ||
[[Category: multidrug binding protein]] | [[Category: multidrug binding protein]] | ||
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[[Category: qacr]] | [[Category: qacr]] | ||
| - | ''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 03:33:48 2008'' |
Revision as of 00:33, 31 March 2008
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| , resolution 2.80Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Gene: | qacR, SAVP031 (Staphylococcus aureus) | ||||||
| Related: | 1RPW, 1RKW, 1JT6, 2DTZ
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal structure of multidrug binding protein QacR from Staphylococcus aureus cocrystallized with compound DB359
Overview
Staphylococcus aureus QacR is a multidrug-binding transcription repressor. Crystal structures of multiple QacR-drug complexes reveal that these toxins bind in a large pocket, which is composed of smaller overlapping "minipockets". Stacking, van der Waals, and ionic interactions are common features of binding, whereas hydrogen bonds are limited. Pentamidine, a bivalent aromatic diamidine, interacts with QacR differently as one positively charged benzamidine moiety is neutralized by the dipoles of side-chain and peptide backbone oxygens rather than a formal negative charge from proximal acidic residues. To understand the binding mechanisms of other bivalent benzamidines, we determined the crystal structures of the QacR-DB75 and QacR-DB359 complexes and measured their binding affinities. Although these rigid aromatic diamidines bind with low-micromolar affinities, they do not use single, discrete binding modes. Such promiscuous binding underscores the intrinsic chemical redundancy of the QacR multidrug-binding pocket. Chemical redundancy is likely a hallmark of all multidrug-binding pockets, yet it is utilized by only a subset of drugs, which, for QacR, so far appears to be limited to chemically rigid, bivalent compounds.
About this Structure
2HQ5 is a Single protein structure of sequence from Staphylococcus aureus. Full crystallographic information is available from OCA.
Reference
Multidrug-binding transcription factor QacR binds the bivalent aromatic diamidines DB75 and DB359 in multiple positions., Brooks BE, Piro KM, Brennan RG, J Am Chem Soc. 2007 Jul 4;129(26):8389-95. Epub 2007 Jun 13. PMID:17567017
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