2xm8 Summary

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CO-CRYSTAL STRUCTURE OF A SMALL MOLECULE INHIBITOR BOUND TO THE KINASE DOMAIN OF CHK2

The structure was published by Caldwell, J.J., Welsh, E.J., Matijssen, C., et al., Oliver, A.W., Garrett, M.D., and Collins, I., in 2011 in a paper entitled "Structure-Based Design of Potent and Selective 2-(Quinazolin-2-Yl)Phenol Inhibitors of Checkpoint Kinase 2." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 3.4 Å and deposited in 2010.

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

The PDB entry contains the structure of SERINE/THREONINE-PROTEIN KINASE CHK2. This molecule has the UniProt identifier O96017 (CHK2_HUMAN)search. The sample contained 329 residues which is < 90% of the natural sequence. Out of 329 residues 229 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 most likely forms homodimers.

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 SERINE/THREONINE-PROTEIN KINASE CHK2 O96017 (210-531) (CHK2_HUMAN)search Homo sapienssearch < 90% 329 80%


This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
O96017 (210 - 531) SERINE/THREONINE-PROTEIN KINASE CHK2 Homo sapiens

Chain Structural classification (CATH) Sequence family (Pfam)
A Phosphorylase Kinase; domain 1search, Transferase(Phosphotransferase) domain 1search Protein kinase domainsearch

Chain ID Molecular function (GO) Biological process (GO)
A (O96017) ATP bindingsearch protein kinase activitysearch transferase activity, transferring phosphorus-containing groupssearch protein serine/threonine kinase activitysearch protein phosphorylationsearch

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