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: 30457858DOI: 10.1021/acs.jmedchem.8b01292 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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