2x1n Summary

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PDB entry 2x1n (supersedes 2wha)

TRUNCATION AND OPTIMISATION OF PEPTIDE INHIBITORS OF CDK2, CYCLIN A THROUGH STRUCTURE GUIDED DESIGN

The structure was published by Mcintyre, N.A., Mcinnes, C., Griffiths, G., et al., Blake, D.G., Westwood, N.J., and Fischer, P.M., in 2010 in a paper entitled "Design, Synthesis, and Evaluation of 2-Methyl- and 2-Amino-N-Aryl-4,5-Dihydrothiazolo[4,5-H]Quinazolin-8-Amines as Ring-Constrained 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Cyclin-Dependent Kinase Inhibitors." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.75 Å and deposited in 2009.

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

This PDB entry contains a complex of 3 biomacromolecules, namely CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, and ACE-LEU-ASN-PFF-NH2.

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 has more than one probable quaternary state observed. For more details see the quaternary structure page.

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 99%
C CELL DIVISION PROTEIN KINASE 2 P24941 (1-298) (CDK2_HUMAN)search Homo sapienssearch 97% 298 99%
B CYCLIN-A2 P20248 (172-432) (CCNA2_HUMAN)search Homo sapienssearch < 90% 261 98%
D CYCLIN-A2 P20248 (172-432) (CCNA2_HUMAN)search Homo sapienssearch < 90% 261 98%


This entry contains 2 unique UniProt proteins:

UniProt accession Name Organism PDB
P24941 (1 - 298) CELL DIVISION PROTEIN KINASE 2 Homo sapiens
P20248 (172 - 432) CYCLIN-A2 Homo sapiens

Chain Structural classification (CATH) Sequence family (Pfam)
A, C (P24941) Phosphorylase Kinase; domain 1search, Transferase(Phosphotransferase) domain 1search PF00069: Protein kinase domainsearch
B, D Cyclin A; domain 1search Cyclin, N-terminal domainsearch, Cyclin, C-terminal domainsearch

Chain ID Molecular function (GO) Biological process (GO) Cellular component (GO)
A, C (P24941) ATP bindingsearch protein serine/threonine kinase activitysearch protein kinase activitysearch transferase activity, transferring phosphorus-containing groupssearch protein bindingsearch cyclin-dependent protein serine/threonine kinase activitysearch kinase activitysearch cyclin bindingsearch nucleotide bindingsearch transferase activitysearch metal ion bindingsearch histone kinase activitysearch protein phosphorylationsearch histone phosphorylationsearch meiotic nuclear divisionsearch G2/M transition of mitotic cell cyclesearch positive regulation of transcription, DNA-templatedsearch cellular response to nitric oxidesearch DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrestsearch DNA replicationsearch blood coagulationsearch mitotic nuclear divisionsearch potassium ion transportsearch positive regulation of DNA-dependent DNA replication initiationsearch regulation of ubiquitin-protein ligase activity involved in mitotic cell cyclesearch Ras protein signal transductionsearch anaphase-promoting complex-dependent proteasomal ubiquitin-dependent protein catabolic processsearch mitotic G1 DNA damage checkpointsearch DNA repairsearch mitotic G2 phasesearch cell cyclesearch cell divisionsearch positive regulation of cell proliferationsearch centrosome duplicationsearch G1/S transition of mitotic cell cyclesearch phosphorylationsearch cellular response to DNA damage stimulussearch mitotic cell cyclesearch regulation of gene silencingsearch nucleoplasmsearch endosomesearch centrosomesearch cytosolsearch Y chromosomesearch cytoskeletonsearch cyclin-dependent protein kinase holoenzyme complexsearch microtubule organizing centersearch transcription factor complexsearch cytoplasmsearch condensed chromosomesearch nucleussearch chromosome, telomeric regionsearch Cajal bodysearch X chromosomesearch
B, D (P20248) protein kinase bindingsearch regulation of cyclin-dependent protein serine/threonine kinase activitysearch regulation of G2/M transition of mitotic cell cyclesearch regulation of cell cyclesearch nucleussearch

Chain InterPro annotation
A, C 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
B, D Cyclin, C-terminal domainsearch Cyclin, N-terminalsearch Cyclin-likesearch Cyclin A/B/D/E/Fsearch Cyclin A, chordatessearch