6DMG

A multiconformer ligand model of EK6 bound to ERK2

Summary for 6DMG

Entry DOI	10.2210/pdb6dmg/pdb
Descriptor	Mitogen-activated protein kinase 1, SULFATE ION, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywords	complex, multiconformer model, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	41419.32
Authors	Hudson, B.M.,van Zundert, G.C.P.,Keedy, D.A.,Fonseca, R.,Heliou, A.,Suresh, P.,Borrelli, K.,Day, T.,Fraser, J.S.,van den Bedem, H. (deposition date: 2018-06-05, release date: 2018-12-19, Last modification date: 2019-04-24)
Primary citation	van Zundert, G.C.P.,Hudson, B.M.,de Oliveira, S.H.P.,Keedy, D.A.,Fonseca, R.,Heliou, A.,Suresh, P.,Borrelli, K.,Day, T.,Fraser, J.S.,van den Bedem, H. qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61:11183-11198, 2018 Cited by PubMed: 30457858 DOI: 10.1021/acs.jmedchem.8b01292 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation