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