2vth 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 278 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 93%


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

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