Document Detail


Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives.
MedLine Citation:
PMID:  15985434     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
Pyridoxal kinase (PDXK) catalyzes the phosphorylation of pyridoxal, pyridoxamine, and pyridoxine in the presence of ATP and Zn2+. This constitutes an essential step in the synthesis of pyridoxal 5'-phosphate (PLP), the active form of vitamin B6, a cofactor for over 140 enzymes. (R)-Roscovitine (CYC202, Seliciclib) is a relatively selective inhibitor of cyclin-dependent kinases (CDKs), currently evaluated for the treatment of cancers, neurodegenerative disorders, renal diseases, and several viral infections. Affinity chromatography investigations have shown that (R)-roscovitine also interacts with PDXK. To understand this interaction, we determined the crystal structure of PDXK in complex with (R)-roscovitine, N6-methyl-(R)-roscovitine, and O6-(R)-roscovitine, the two latter derivatives being designed to bind to PDXK but not to CDKs. Structural analysis revealed that these three roscovitines bind similarly in the pyridoxal-binding site of PDXK rather than in the anticipated ATP-binding site. The pyridoxal pocket has thus an unexpected ability to accommodate molecules different from and larger than pyridoxal. This work provides detailed structural information on the interactions between PDXK and roscovitine and analogs. It could also aid in the design of roscovitine derivatives displaying strict selectivity for either PDXK or CDKs.
Authors:
Lin Tang; Ming-Hui Li; Peng Cao; Feng Wang; Wen-Rui Chang; Stéphane Bach; Jens Reinhardt; Yoan Ferandin; Hervé Galons; Yongqin Wan; Nathanael Gray; Laurent Meijer; Tao Jiang; Dong-Cai Liang
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't     Date:  2005-06-28
Journal Detail:
Title:  The Journal of biological chemistry     Volume:  280     ISSN:  0021-9258     ISO Abbreviation:  J. Biol. Chem.     Publication Date:  2005 Sep 
Date Detail:
Created Date:  2005-08-29     Completed Date:  2005-10-25     Revised Date:  2006-11-15    
Medline Journal Info:
Nlm Unique ID:  2985121R     Medline TA:  J Biol Chem     Country:  United States    
Other Details:
Languages:  eng     Pagination:  31220-9     Citation Subset:  IM    
Affiliation:
National Laboratory of Biomacromolecules, Institute of Biophysics, Chinese Academy of Sciences, 15 Datun Road, Chaoyang District, Beijing 100101, China.
Data Bank Information
Bank Name/Acc. No.:
PDB/1YGJ;  1YGK;  1YHJ
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MeSH Terms
Descriptor/Qualifier:
Animals
Binding Sites
Crystallography, X-Ray
Ligands
Macromolecular Substances
Models, Molecular
Molecular Structure
Nuclear Magnetic Resonance, Biomolecular
Protein Kinase Inhibitors / chemistry*,  metabolism
Protein Structure, Tertiary*
Purines / chemistry*,  metabolism
Pyridoxal Kinase / chemistry*,  metabolism
Swine
Chemical
Reg. No./Substance:
0/Ligands; 0/Macromolecular Substances; 0/Protein Kinase Inhibitors; 0/Purines; 0/roscovitine; EC 2.7.1.35/Pyridoxal Kinase

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