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

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