5MKS

HSP72-NBD bound to compound TCI 8 - Tyr15 in down-conformation

Summary for 5MKS

Entry DOI	10.2210/pdb5mks/pdb
Descriptor	Heat shock 70 kDa protein 1A, 3-[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[(4-chlorophenyl)methylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]propyl prop-2-enoate (3 entities in total)
Functional Keywords	irreversible inhibitor, chaperone, lysine modification
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm : P0DMV8
Total number of polymer chains	1
Total formula weight	43684.83
Authors	Pettinger, J.,Westwood, I.M.,Cronin, N.,Le Bihan, Y.-V.,Van Montfort, R.L.M. (deposition date: 2016-12-05, release date: 2017-03-01, Last modification date: 2017-03-29)
Primary citation	Pettinger, J.,Le Bihan, Y.V.,Widya, M.,van Montfort, R.L.,Jones, K.,Cheeseman, M.D. An Irreversible Inhibitor of HSP72 that Unexpectedly Targets Lysine-56. Angew. Chem. Int. Ed. Engl., 56:3536-3540, 2017 Cited by PubMed: 28225177 DOI: 10.1002/anie.201611907 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.99 Å)

Structure validation