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

Summary for 6QG7

Related6QFL 6QFR 6QFT 6QG4
DescriptorDual specificity mitogen-activated protein kinase kinase 7, (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (3 entities in total)
Functional Keywordsprotein kinase, kinase, mkk7, transferase
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total molecular weight36545.32
Wolle, P.,Mueller, M.P.,Rauh, D. (deposition date: 2019-01-10, release date: 2019-05-22, Last modification date: 2019-06-12)
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., 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 0.26640 0.4% 2.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 6qg7
no rotation
Molmil generated image of 6qg7
rotated about x axis by 90°
Molmil generated image of 6qg7
rotated about y axis by 90°