Skip to main content
. 2020 Jun 11;10:9488. doi: 10.1038/s41598-020-66310-4

Table 1.

Comparison of the GTP- and cGMP-bound catalytic heterodimers hydrogen bond interactions of the nucleotidyl substrates with the binding pocket residues.

Ligands Acceptor Donor Percentage Occupancy Average Distance Average Angle
graphic file with name 41598_2020_66310_Figa_HTML.gif

GTP@O1B

GTP@O3G

β:E473@O

GTP@O2B

GTP@O1G

β:E473@O

GTP@O2G

GTP@O2A

GTP@O6

GTP@O3′

GTP@O3G

GTP@O2′

GTP@N7

GTP@O2A

GTP@O3G

GTP@O2G

β:T474@O

α:T491@O

α:G489@N

GTP@N2

α:F490@N

α:R574@N

GTP@N1

β:K593@NZ

β:N548@N

β:L542@N

β:S551@O

α:R574@N

β:S551@O

β:L542@N

β:R552@N

β:K593@N

α:R574@N

GTP@N2

99.64

73.90

66.78

59.42

52.20

44.69

40.70

30.73

26.79

17.69

14.87

10.84

9.15

6.90

6.65

6.62

5.75

2.62

2.82

2.84

2.86

2.83

2.87

2.78

2.81

2.88

2.76

2.86

2.77

2.92

2.78

2.77

2.85

2.88

167.51

160.59

155.18

150.52

157.66

150.11

156.20

159.06

162.38

161.33

160.31

158.10

157.74

156.71

156.42

155.48

153.39

graphic file with name 41598_2020_66310_Figb_HTML.gif

GMP@O1

GMP@O5

β:V475@O

GMP@O7

β:V475@O

GMP@O3

GMP@N3

β:V475@N

β:S551@O

GMP@N1

α:D530@N

GMP@N2

β:S551@O

β:S551@O

65.29

32.67

21.23

17.37

0.20

0.16

0.11

2.86

2.80

2.80

2.90

2.91

2.75

2.86

159.68

162.38

162.09

160.61

149.73

159.09

162.96