4WXH

Carminomycin-4-O-methyltransferase (DnrK) variant (298Ser insert) in complex with S-adenosyl-L-homocysteine (SAH) and aclacinomycin T

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Carminomycin 4-O-methyltransferase DnrK	polymer	367	40198.5	2	UniProt (Q06528) Pfam (PF00891)	Streptomyces peucetius	COMT,Anthracycline 4-O-methyltransferase
2	C, I (A, B)	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	2	Chemie (SAH)
3	D, J (A, B)	methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate	non-polymer		569.6	2	Chemie (3VL)
4	E (A)	(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL	non-polymer		154.3	1	Chemie (DTU)
5	F, G, H, K, L (A, B)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
6	M, N (A, B)	water	water		18.0	343	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -10	-	initiating methionine
Ala -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Arg -1	-	expression tag
Ser 0	-	expression tag
Ser 297	-	insertion

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	80397.0
Non-Polymers*	Number of molecules	10
	Total formula weight	2542.6
All*	Total formula weight	82939.6

*Water molecules are not included.