2ZI9

C4S-E247A dCK variant of dCK in complex with cladribine+ADP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Deoxycytidine kinase	polymer	279	32514.5	2	UniProt (P27707) Pfam (PF01712) In PDB	Homo sapiens (Human)	dCK
2	A, B	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
3	A, B	2-chloro-2'-deoxyadenosine	non-polymer		285.7	2	Chemie (CL9)
4		water	water		18.0	162	Chemie (HOH)

Sequence modifications

A, B: 1 - 260 (UniProt: P27707)

PDB	External Database	Details
Met -18	-	expression tag
Gly -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ser 9	Cys 9	engineered mutation
Ser 45	Cys 45	engineered mutation
Ser 59	Cys 59	engineered mutation
Ser 146	Cys 146	engineered mutation
Ala 247	Glu 247	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	65028.9
Non-Polymers*	Number of molecules	4
	Total formula weight	1425.8
All*	Total formula weight	66454.7

*Water molecules are not included.