1ygj
From Proteopedia
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|SITE= | |SITE= | ||
|LIGAND= <scene name='pdbligand=RMC:(2R)-2-({6-[BENZYL(METHYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-1-OL'>RMC</scene> | |LIGAND= <scene name='pdbligand=RMC:(2R)-2-({6-[BENZYL(METHYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-1-OL'>RMC</scene> | ||
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Pyridoxal_kinase Pyridoxal kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.35 2.7.1.35] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Pyridoxal_kinase Pyridoxal kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.35 2.7.1.35] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1ygk|1YGK]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ygj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ygj OCA], [http://www.ebi.ac.uk/pdbsum/1ygj PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ygj RCSB]</span> | ||
}} | }} | ||
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[[Category: Wan, Y.]] | [[Category: Wan, Y.]] | ||
[[Category: Wang, F.]] | [[Category: Wang, F.]] | ||
| - | [[Category: RMC]] | ||
[[Category: alpha-beta structure]] | [[Category: alpha-beta structure]] | ||
[[Category: n6-methyl-(r)-roscovitine complex]] | [[Category: n6-methyl-(r)-roscovitine complex]] | ||
| - | ''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 01:06:36 2008'' |
Revision as of 22:06, 30 March 2008
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| , resolution 2.7Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Activity: | Pyridoxal kinase, with EC number 2.7.1.35 | ||||||
| Related: | 1YGK
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Crystal Structure of Pyridoxal Kinase in Complex with Roscovitine and Derivatives
Overview
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.
About this Structure
1YGJ is a Single protein structure of sequence from Ovis aries. Full crystallographic information is available from OCA.
Reference
Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives., Tang L, Li MH, Cao P, Wang F, Chang WR, Bach S, Reinhardt J, Ferandin Y, Galons H, Wan Y, Gray N, Meijer L, Jiang T, Liang DC, J Biol Chem. 2005 Sep 2;280(35):31220-9. Epub 2005 Jun 28. PMID:15985434
Page seeded by OCA on Mon Mar 31 01:06:36 2008
Categories: Ovis aries | Pyridoxal kinase | Single protein | Bach, S. | Cao, P. | Chang, W R. | Ferandin, Y. | Galons, H. | Gray, N. | Jiang, T. | Koken, M. | Li, M H. | Liang, D C. | Meijer, L. | Reinhardt, J. | Tang, L. | Wan, Y. | Wang, F. | Alpha-beta structure | N6-methyl-(r)-roscovitine complex
