5UI4

Structure of NME1 covalently conjugated to imidazole fluorosulfate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Nucleoside diphosphate kinase A	polymer	159	18130.8	6	UniProt (P15531) Pfam (PF00334)	Homo sapiens (Human)	NDP kinase A,Granzyme A-activated DNase,GAAD,Metastasis inhibition factor nm23,NM23-H1,Tumor metastatic process-associated protein
2	G, H, I, J, K... (A, B, C, D, E...)	4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate	non-polymer		386.4	6	Chemie (A7Z)
3	M, N, O, P, Q... (A, B, C, D, E...)	water	water		18.0	99	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 1 - 152 (UniProt: P15531)

PDB	External Database	Details
Met -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	108784.8
Non-Polymers*	Number of molecules	6
	Total formula weight	2318.4
All*	Total formula weight	111103.2

*Water molecules are not included.