6BL8

Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models

Summary for 6BL8

Entry DOI	10.2210/pdb6bl8/pdb
Descriptor	Tyrosine-protein kinase ABL1, PURVALANOL B, SULFATE ION, ... (4 entities in total)
Functional Keywords	abl, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	64076.02
Authors	Clawson, D.K.,Gao, C. (deposition date: 2017-11-09, release date: 2018-03-07, Last modification date: 2024-03-06)
Primary citation	Meng, Y.,Gao, C.,Clawson, D.K.,Atwell, S.,Russell, M.,Vieth, M.,Roux, B. Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models. J Chem Theory Comput, 14:2721-2732, 2018 Cited by PubMed: 29474075 DOI: 10.1021/acs.jctc.7b01170 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation