Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine inhibitor 1h

Summary for 6QG4

Related6QFL 6QFR 6QFT
DescriptorDual specificity mitogen-activated protein kinase kinase 7, 1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one (3 entities in total)
Functional Keywordsprotein kinase, kinase, mkk7, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight36513.28
Wolle, P.,Mueller, M.P.,Rauh, D. (deposition date: 2019-01-10, release date: 2019-05-22, Last modification date: 2019-06-26)
Primary citation
Wolle, P.,Engel, J.,Smith, S.,Goebel, L.,Hennes, E.,Lategahn, J.,Rauh, D.
Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62:5541-5546, 2019
PubMed: 31083997 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.9b00472
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.26940 0.5% 1.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution