6BKW

BTK complex with compound 12

Summary for 6BKW

Entry DOI	10.2210/pdb6bkw/pdb
Related	6AUA 6AUB 6BIK 6BKE 6BKH 6BLN 6EP9
Descriptor	Tyrosine-protein kinase BTK, SULFATE ION, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, ... (6 entities in total)
Functional Keywords	btk, inhibitor, water structure, kinase, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	35123.94
Authors	Kiefer, J.R.,Eigenbrot, C.,Yu, C.L. (deposition date: 2017-11-09, release date: 2018-11-07, Last modification date: 2019-03-27)
Primary citation	Nittinger, E.,Gibbons, P.,Eigenbrot, C.,Davies, D.R.,Maurer, B.,Yu, C.L.,Kiefer, J.R.,Kuglstatter, A.,Murray, J.,Ortwine, D.F.,Tang, Y.,Tsui, V. Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33:307-330, 2019 Cited by PubMed: 30756207 DOI: 10.1007/s10822-019-00187-y PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.499 Å)

Structure validation