2vts Summary

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IDENTIFICATION OF N-(4-PIPERIDINYL)-4-(2,6-DICHLOROBENZOYLAMINO)-1H-PYRAZOLE-3-CARBOXAMIDE (AT7519), A NOVEL CYCLIN DEPENDENT KINASE INHIBITOR USING FRAGMENT-BASED X-RAY CRYSTALLOGRAPHY AND STRUCTURE BASED DRUG DESIGN.

The structure was published by Wyatt, P.G., Woodhead, A.J., Berdini, V., et al., Trewartha, G., Walker, M.T., and Woolford, A.J., in 2008 in a paper entitled "Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 1.9 Å and deposited in 2008.

The experimental data on which the structure is based was also deposited.

The PDB entry contains the structure of CELL DIVISION PROTEIN KINASE 2. This molecule has the UniProt identifier P24941 (CDK2_HUMAN)search. The sample contained 298 residues which is 100% of the natural sequence. Out of 298 residues 282 were observed and are deposited in the PDB.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule is most likely monomeric.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):


Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A CELL DIVISION PROTEIN KINASE 2 P24941 (1-298) (CDK2_HUMAN)search Homo sapienssearch 97% 298 94%


This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P24941 (1 - 298) CELL DIVISION PROTEIN KINASE 2 Homo sapiens

Chain Structural classification (CATH) Sequence family (Pfam)
A (P24941) Phosphorylase Kinase; domain 1search, Transferase(Phosphotransferase) domain 1search PF00069: Protein kinase domainsearch

Chain ID Molecular function (GO) Cellular component (GO) Biological process (GO)
A (P24941) protein kinase activitysearch ATP bindingsearch protein bindingsearch kinase activitysearch protein serine/threonine kinase activitysearch cyclin-dependent protein serine/threonine kinase activitysearch histone kinase activitysearch cyclin bindingsearch transferase activity, transferring phosphorus-containing groupssearch metal ion bindingsearch nucleotide bindingsearch transferase activitysearch nucleoplasmsearch Cajal bodysearch centrosomesearch Y chromosomesearch microtubule organizing centersearch transcription factor complexsearch endosomesearch nucleussearch cytoplasmsearch cytoskeletonsearch cytosolsearch cyclin-dependent protein kinase holoenzyme complexsearch X chromosomesearch chromosome, telomeric regionsearch condensed chromosomesearch mitotic G1 DNA damage checkpointsearch regulation of gene silencingsearch positive regulation of cell proliferationsearch regulation of ubiquitin-protein ligase activity involved in mitotic cell cyclesearch protein phosphorylationsearch positive regulation of transcription, DNA-templatedsearch G2/M transition of mitotic cell cyclesearch DNA replicationsearch DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrestsearch cellular response to DNA damage stimulussearch G1/S transition of mitotic cell cyclesearch blood coagulationsearch cell divisionsearch anaphase-promoting complex-dependent proteasomal ubiquitin-dependent protein catabolic processsearch DNA repairsearch centrosome duplicationsearch phosphorylationsearch potassium ion transportsearch cell cyclesearch cellular response to nitric oxidesearch histone phosphorylationsearch mitotic nuclear divisionsearch Ras protein signal transductionsearch meiotic nuclear divisionsearch meiotic cell cyclesearch positive regulation of DNA-dependent DNA replication initiationsearch mitotic cell cyclesearch

Chain InterPro annotation
A Protein kinase domainsearch Serine/threonine/dual specificity protein kinase, catalytic domainsearch Serine/threonine-protein kinase, active sitesearch Protein kinase-like domainsearch Protein kinase, ATP binding sitesearch