3fyj Summary


Crystal structure of an optimzied benzothiophene inhibitor bound to MAPKAP Kinase-2 (MK-2)

The structure was published by Anderson, D.R., Meyers, M.J., Kurumbail, R.G., et al., Mahoney, M.W., Mourey, R.J., and Parikh, M.D., in 2009 in a paper entitled "Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 3.8 Å and deposited in 2009.

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

The PDB entry contains the structure of MAP kinase-activated protein kinase 2. This molecule has the UniProt identifier P49137 (MAPK2_HUMAN)search. The sample contained 327 residues which is < 90% of the natural sequence. Out of 327 residues 282 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 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
X MAP kinase-activated protein kinase 2 P49137 (45-371) (MAPK2_HUMAN)search Homo sapienssearch 100% 327 86%

This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
P49137 (45 - 371) MAP kinase-activated protein kinase 2 Homo sapiens

Chain Structural classification (CATH) Sequence family (Pfam)
X (P49137) Phosphorylase Kinase; domain 1search, Transferase(Phosphotransferase) domain 1search PF00069: Protein kinase domainsearch

Chain ID Biological process (GO) Molecular function (GO)
X (P49137) protein phosphorylationsearch transferase activity, transferring phosphorus-containing groupssearch protein kinase activitysearch ATP bindingsearch protein serine/threonine kinase activitysearch

Chain InterPro annotation
X 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 MAP kinase activated protein kinase, C-terminal domainsearch