2brm Summary

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STRUCTURE-BASED DESIGN OF NOVEL CHK1 INHIBITORS: INSIGHTS INTO HYDROGEN BONDING AND PROTEIN-LIGAND AFFINITY

The structure was published by Foloppe, N., Fisher, L.M., Howes, R., et al., Potter, A., Robertson, A.G.S., and Surgenor, A.E., in 2005 in a paper entitled "Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.2 Å and deposited in 2005.

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

The PDB entry contains the structure of SERINE/THREONINE-PROTEIN KINASE CHK1. This molecule has the UniProt identifier O14757 (CHK1_HUMAN)search. The sample contained 297 residues which is < 90% of the natural sequence. Out of 297 residues 262 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 SERINE/THREONINE-PROTEIN KINASE CHK1 O14757 (1-289) (CHK1_HUMAN)search Homo sapienssearch < 90% 297 88%


This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
O14757 (1 - 289) SERINE/THREONINE-PROTEIN KINASE CHK1 Homo sapiens

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

Chain ID Biological process (GO) Molecular function (GO)
A (O14757) protein phosphorylationsearch protein serine/threonine kinase activitysearch protein kinase activitysearch ATP bindingsearch transferase activity, transferring phosphorus-containing groupssearch

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