5JR3

Crystal structure of carminomycin-4-O-methyltransferase DnrK in complex with SAH and 4-methylumbelliferone

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 (A, B, C)	Carminomycin 4-O-methyltransferase DnrK	polymer	376	41000.4	3	UniProt (Q06528) Pfam (PF00891)	Streptomyces peucetius	COMT,Anthracycline 4-O-methyltransferase
2	D, J, R (A, B, C)	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	3	Chemie (SAH)
3	E, K, S (A, B, C)	7-hydroxy-4-methyl-2H-chromen-2-one	non-polymer		176.2	3	Chemie (4MU)
4	F, G, H, I, L... (A, B, C)	SULFATE ION	non-polymer		96.1	12	Chemie (SO4)
5	V, W, X (A, B, C)	water	water		18.0	835	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 356 (UniProt: Q06528)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -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

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	123001.2
Non-Polymers*	Number of molecules	18
	Total formula weight	2834.5
All*	Total formula weight	125835.7

*Water molecules are not included.