6AU0

Crystal structure of PPK2 (Class III) in complex with bisphosphonate inhibitor (2-((3,5-dichlorophenyl)amino)ethane-1,1-diyl)diphosphonic acid

Summary for 6AU0

Entry DOI	10.2210/pdb6au0/pdb
Descriptor	Polyphosphate:AMP phosphotransferase, {[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid), GLYCEROL, ... (4 entities in total)
Functional Keywords	ppk2, kinase, bisphosphonate inhibitor, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Cytophaga hutchinsonii (strain ATCC 33406 / NCIMB 9469)
Total number of polymer chains	1
Total formula weight	36097.71
Authors	Nocek, B.,Ruszkowski, M.,Joachimiak, A.,Berlicki, L.,Yakunin, A. (deposition date: 2017-08-29, release date: 2019-01-16, Last modification date: 2024-03-13)
Primary citation	Nocek, B.,Khusnutdinova, A.N.,Ruszkowski, M.,Flick, R.,Burda, M.,Batyrova, K.,Brown, G.,Mucha, A.,Joachimiak, A.,Berlicki, L.,Yakunin, A.F. Structural Insights into Substrate Selectivity and Activity of Bacterial Polyphosphate Kinases Acs Catalysis, 8:10746-10760, 2018 Cited by DOI: 10.1021/acscatal.8b03151 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation