4X7X

MycF mycinamicin III 3'-O-methyltransferase (E35Q, E139A variant) in complex with Mg, SAH and macrocin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Mycinamicin III 3''-O-methyltransferase	polymer	274	30757.5	2	UniProt (Q49492) Pfam (PF05711) In PDB	Micromonospora griseorubida	Mycinamicin biosynthesis protein F
2	A, B	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	2	Chemie (SAH)
3	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A, B	2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5S,6R)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal	non-polymer		902.1	2	Chemie (3ZP)
5		water	water		18.0	399	Chemie (HOH)

Sequence modifications

A, B: 1 - 254 (UniProt: Q49492)

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
Gln 35	Glu 35	engineered mutation
Ala 139	Glu 139	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	61515.1
Non-Polymers*	Number of molecules	6
	Total formula weight	2621.6
All*	Total formula weight	64136.7

*Water molecules are not included.