X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP

Summary for 2P55

Related1S9J 1S9I
DescriptorDual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, 2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE, ... (5 entities in total)
Functional Keywordsprotein kinase structure; mitogen activated protein kinase kinase; signal transduction; ligand co-complex, ternary co-complex with kinase, ligand and mgatp; non-competitive protein kinase inhibitor, transferase
Biological sourceHomo sapiens (human)
Total number of polymer chains1
Total molecular weight37741.25
Ohren, J.F.,Pavlovsky, A.G. (deposition date: 2007-03-14, release date: 2007-10-02, Last modification date: 2011-07-13)
Primary citation
Spicer, J.A.,Rewcastle, G.W.,Kaufman, M.D.,Black, S.L.,Plummer, M.S.,Denny, W.A.,Quin, J.,Shahripour, A.B.,Barrett, S.D.,Whitehead, C.E.,Milbank, J.B.,Ohren, J.F.,Gowan, R.C.,Omer, C.,Camp, H.S.,Esmaeil, N.,Moore, K.,Sebolt-Leopold, J.S.,Pryzbranowski, S.,Merriman, R.L.,Ortwine, D.F.,Warmus, J.S.,Flamme, C.M.,Pavlovsky, A.G.,Tecle, H.
4-anilino-5-carboxamido-2-pyridone derivatives as noncompetitive inhibitors of mitogen-activated protein kinase kinase.
J.Med.Chem., 50:5090-5102, 2007
PubMed: 17880056 (PDB entries with the same primary citation)
DOI: 10.1021/jm0704548
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.29360.4%5.2%5.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution