Recurrent adenylation domain replacement in the microcystin synthetase gene cluster

Table 2 Adenylation domain specificity codes

Organism	Strain	Adenyl -ation domain	Binding pocket										LC-MS
			235	236	239	278	299	301	322	330	331	517
Anabaena sp.	90	McyB1	D	V	W	F	F	G	L	V	D	K	L-Leu
Anabaena sp.	18B6	McyB1	-	-	-	S	-	-	-	-	-	-	L-Arg
Anabaena sp.	66A	McyB1	-	-	-	S	-	-	-	-	Y	-	L-Hty
Nostoc sp.	152	McyB1	-	A	L	-	-	-	-	I	Y	-	L-Leu
Nostoc sp.	IO-102-I	McyB1	-	I	K	N	-	-	A	I	V	-	L-Leu
Hapalosiphon hibernicus	BZ-3-1	McyB1	-	-	-	-	-	-	-	-	-	-	L-Leu
Planktothrix agardhii	NIVA126/8	McyB1	-	A	L	-	-	-	-	-	-	-	L-Arg
Planktothrix agardhii	213	McyB1	-	A	L	-	-	-	-	-	-	-	L-Arg
Microcystis aeruginosa	PCC 7806	McyB1	-	A	-	-	L	-	N	N	V	-	L-Leu
Microcystis viridis	NIES102	McyB1	-	-	-	T	I	-	A	A	E	-	L-Leu/Arg
Anabaena sp.	90	McyC	-	-	-	C	-	-	-	-	-	-	L-Arg
Anabaena sp.	18B6	McyC	-	-	-	S	-	-	-	-	-	-	L-Arg
Anabaena sp.	66A	McyC	-	-	-	S	-	-	-	-	-	-	L-Arg
Nostoc sp.	152	McyC	-	-	-	N	-	-	F	I	-	-	L-Arg/Har
Nostoc sp.	IO-102-I	McyC	-	-	-	N	-	-	F	-	-	-	L-Arg
Hapalosiphon hibernicus	BZ-3-1	McyC	-	-	-	-	-	-	-	-	-	-	L-Ala
Planktothrix agardhii	NIVA126/8	McyC	-	P	-	G	-	-	-	-	-	-	L-Arg
Planktothrix agardhii	213	McyC	-	P	-	C	-	-	-	-	-	-	L-Arg
Microcystis aeruginosa	PCC 7806	McyC	-	-	-	T	I	-	A	-	-	-	L-Arg
Microcystis viridis	NIES102	McyC	-	-	-	I	I	-	A	-	-	-	L-Arg

Specificity codes inferred from the protein sequence of the McyB1 and McyC adenylation domains through pairwise alignment against GrsA [20]. The principal amino acid present at the X and Z positions in microcystins analyzed with the LC-MS method.

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