Table 2 Calculated angles15, center of mass displacement (COMdisp) and radius of gyration (Rg) for MjTX-II/RA, MjTX-II/ASA and other PLA2-like toxins quaternary structures.

From: Search for efficient inhibitors of myotoxic activity induced by ophidian phospholipase A2-like proteins using functional, structural and bioinformatics approaches

PDB id

Toxin

Roll (°)

Twist (°)

Tilt (°)

COMdisp (Å)

Rg (Å)

3IQ3

BthTX-I/PEG4K

178

28

27

2.5

18.1

4K06

MTX-II/PEG4K

178

28

27

3.0

18.3

3QNL

PrTX-I/RA

173

24

34

1.7

18.5

6B84

apo-MjTX-II

164

22

73

7.9

18.7

6B81

MjTX-II/FA8

167

24

59

4.0

18.5

6B80

MjTX-II/FA14

170

21

51

0.0

18.5

6MQF

MjTX-II/ASA*

165

36

41

12.7

20.1

6MQD

MjTX-II/RA

166

35

47

13.3

20.0

-#

MjTX-II/RA

198

62

67

31.5

21.8

-#

MjTX-II/ASA

130

7

38

3.3

20.1

-#

Unbound MjTX-II

167

6

12

9.7

20.5

-#

MjTX-II/FA

178

32

40

11.2

19.5

-#

MjTX-II/FA§

179

42

33

6.2

18.7

  1. #Structures from molecular dynamics (MD) simulations. *Reference structure for unbound MjTX-II and MjTX-II/FA MD simulation models. §MD simulation at frame 170 ns.