Crystal Structure of the Human Mitogen-activated protein kinase kinase 1 (MEK 1) in complex with ligand and MgATP

Summary for 3PP1

DescriptorDual specificity mitogen-activated protein kinase kinase 1, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... (6 entities in total)
Functional Keywordskinase domain, kinase, atp binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm, cytoskeleton, microtubule organizing center, centrosome  Q02750
Total number of polymer chains1
Total molecular weight37734.98
Dougan, D.R. (deposition date: 2010-11-23, release date: 2011-02-23, Last modification date: 2017-11-08)
Primary citation
Dong, Q.,Dougan, D.R.,Gong, X.,Halkowycz, P.,Jin, B.,Kanouni, T.,O'Connell, S.M.,Scorah, N.,Shi, L.,Wallace, M.B.,Zhou, F.
Discovery of TAK-733, a potent and selective MEK allosteric site inhibitor for the treatment of cancer.
Bioorg.Med.Chem.Lett., 21:1315-1319, 2011
PubMed: 21310613 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2011.01.071
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.23270.7%5.5%0.3%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 3pp1
no rotation
Molmil generated image of 3pp1
rotated about x axis by 90°
Molmil generated image of 3pp1
rotated about y axis by 90°