5MQL

Crystal structure of dCK mutant C3S in complex with masitinib and UDP

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 (A, B, C, D)	Deoxycytidine kinase	polymer	289	34023.2	4	UniProt (P27707) Pfam (PF01712)	Homo sapiens (Human)	dCK
2	E, G, J, L (A, B, C, D)	URIDINE-5'-DIPHOSPHATE	non-polymer		404.2	4	Chemie (UDP)
3	F (A)	Masitinib	non-polymer		498.6	1	Chemie (G65)
4	H, K (B, C)	2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE	non-polymer		307.2	2	Chemie (DCM)
5	I (C)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
6	M, N, O, P (A, B, C, D)	water	water		18.0	18	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -28	-	initiating methionine
Ser -27	-	expression tag
Tyr -26	-	expression tag
Tyr -25	-	expression tag
His -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
Leu -18	-	expression tag
Glu -17	-	expression tag
Ser -16	-	expression tag
Thr -15	-	expression tag
Ser -14	-	expression tag
Leu -13	-	expression tag
Tyr -12	-	expression tag
Lys -11	-	expression tag
Lys -10	-	expression tag
Ala -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 9	Cys 9	engineered mutation
Ser 45	Cys 45	engineered mutation
Ser 59	Cys 59	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	136092.8
Non-Polymers*	Number of molecules	8
	Total formula weight	2754.0
All*	Total formula weight	138846.8

*Water molecules are not included.