6BOZ

Structure of human SETD8 in complex with covalent inhibitor MS4138

Summary for 6BOZ

• Entry DOI: 10.2210/pdb6boz/pdb
• Descriptor: N-lysine methyltransferase KMT5A, 1,2-ETHANEDIOL, N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide, ... (4 entities in total)
• Functional Keywords: protein-small molecule inhibitor complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 44387.83

Authors

Babault, N.,Anqi, M.,Jin, J. (deposition date: 2017-11-21, release date: 2019-05-01, Last modification date: 2019-12-04)

• Primary citation: Chen, S.,Wiewiora, R.P.,Meng, F.,Babault, N.,Ma, A.,Yu, W.,Qian, K.,Hu, H.,Zou, H.,Wang, J.,Fan, S.,Blum, G.,Pittella-Silva, F.,Beauchamp, K.A.,Tempel, W.,Jiang, H.,Chen, K.,Skene, R.J.,Zheng, Y.G.,Brown, P.J.,Jin, J.,Luo, C.,Chodera, J.D.,Luo, M.; The dynamic conformational landscape of the protein methyltransferase SETD8.; Elife, 8:-, 2019; PubMed: 31081496; DOI: 10.7554/eLife.45403

Experimental method

X-RAY DIFFRACTION (2.4 Å)