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). 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):
This entry contains 1 unique UniProt protein: