2vtj Summary

pdbe.org/2vtj
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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 2.2 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 276 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 92%


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

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