5UI4

Structure of NME1 covalently conjugated to imidazole fluorosulfate

Summary for 5UI4

Entry DOI	10.2210/pdb5ui4/pdb
Descriptor	Nucleoside diphosphate kinase A, 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate (3 entities in total)
Functional Keywords	arylfluorosulfate, covalent, kinase, transferase
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm : P15531
Total number of polymer chains	6
Total formula weight	111103.18
Authors	Mortenson, D.E.,Brighty, G.J.,Wilson, I.A.,Kelly, J.W. (deposition date: 2017-01-12, release date: 2018-01-17, Last modification date: 2023-10-04)
Primary citation	Mortenson, D.E.,Brighty, G.J.,Plate, L.,Bare, G.,Chen, W.,Li, S.,Wang, H.,Cravatt, B.F.,Forli, S.,Powers, E.T.,Sharpless, K.B.,Wilson, I.A.,Kelly, J.W. "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates. J. Am. Chem. Soc., 140:200-210, 2018 Cited by PubMed: 29265822 DOI: 10.1021/jacs.7b08366 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.75 Å)

Structure validation