4DAW

Crystal structure of PAK1 kinase domain with the ruthenium phthalimide complex

Summary for 4DAW

DescriptorSerine/threonine-protein kinase PAK 1, [1,3-dioxo-6-(pyridin-2-yl-kappaN)-2,3-dihydro-1H-isoindol-5-yl-kappaC~5~][(thioxomethylidene)azanido-kappaN](1,4,7-trithionane-kappa~3~S~1~,S~4~,S~7~)ruthenium (3 entities in total)
Functional Keywordsserine/threonine kinase, phosphorylation, atp-binding, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceHomo sapiens (human)
Cellular locationCytoplasm Q13153
Total number of polymer chains1
Total molecular weight33929.96
Authors
Maksimoska, J.,Marmorstein, R. (deposition date: 2012-01-13, release date: 2012-03-14, Last modification date: 2012-05-30)
Primary citation
Blanck, S.,Maksimoska, J.,Baumeister, J.,Harms, K.,Marmorstein, R.,Meggers, E.
The art of filling protein pockets efficiently with octahedral metal complexes.
Angew.Chem.Int.Ed.Engl., 51:5244-5246, 2012
PubMed: 22383326 (PDB entries with the same primary citation)
DOI: 10.1002/anie.201108865
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.235701.2%6.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report