4bi1 Summary


Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor

The structure was published by Langdon, S.R., Westwood, I.M., Van Montfort, R.L.M., Brown, N., and Blagg, J., in 2013 in a paper entitled "Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of Ttk Inhibitors." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.7 Å and deposited in 2013.

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

The PDB entry contains the structure of DUAL SPECIFICITY PROTEIN KINASE TTK. This molecule has the UniProt identifier P33981 (TTK_HUMAN)search. The sample contained 313 residues which is < 90% of the natural sequence. Out of 313 residues 242 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 DUAL SPECIFICITY PROTEIN KINASE TTK P33981 (519-808) (TTK_HUMAN)search Homo sapienssearch < 90% 313 80%

This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P33981 (519 - 808) DUAL SPECIFICITY PROTEIN KINASE TTK Homo sapiens

Chain Sequence family (Pfam)
A Protein kinase domainsearch

Chain ID Biological process (GO) Molecular function (GO)
A (P33981) chromosome separationsearch protein phosphorylationsearch mitotic cell cycle checkpointsearch protein serine/threonine/tyrosine 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 Dual specificity protein kinase TTKsearch