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Table 2 Predicted binding pockets of the adenylation domain of McyA 2

From: Convergent evolution of [D-Leucine1] microcystin-LR in taxonomically disparate cyanobacteria

Strain

Binding pocket

Score %(a)

Predicted(a)

Activated

 

235

236

239

278

299

301

322

330

331

517

Anabaena sp. 90

D

L

F

N

N

A

L

T

Y

K

100

Ala

Ala

Microcystis aeruginosa NIES-843

-

-

-

-

-

-

-

-

-

-

100

Ala

Ala

Microcystis aeruginosa PCC7806

-

-

-

-

-

-

-

-

-

-

100

Ala

Ala

Microcystis aeruginosa UV027

-

-

-

-

-

-

-

-

-

-

100

Ala

Ala

Microcystis aeruginosa K-139

-

-

-

-

-

-

-

-

-

-

100

Ala

Ala

Nostoc sp. 152

-

-

-

-

-

-

-

-

-

-

100

Ala

Ala*

Phormidium sp. DVL1003c

-

-

-

-

-

-

-

-

-

-

100

Ala

Ala

Planktothrix rubescens NIVA-CYA 98

-

-

-

-

-

-

-

-

-

-

100

Ala

Ala

Planktothrix agardhii NIVA-CYA 126/8

-

-

-

-

-

-

-

S

-

-

90

Ala

Ala

Microcystis sp. RST 9501

-

-

-

-

-

G

-

I

C

-

70

Cys

Leu, Met

Microcystis aeruginosa NPLJ-4

-

-

-

-

-

G

-

I

C

-

70

Cys

Leu, Met ±

Nostoc sp. UK89IIa

-

A

W

F

L

G

N

V

V

-

100

Leu

Leu

Phormidium sp. CENA270

-

A

W

F

L

G

N

V

V

-

100

Leu

Leu

  1. The adenylation domain of McyA2 is responsible for amino acid activation in position one of microcystins.
  2. (a) Prediction obtained using the NRPSpredictor2 program [72, 73]. Trace amounts of *Serine and ± Valine or Phenylalanine detected in LC-MS/MS.