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 |
---|---|---|---|---|---|
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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 |
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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 |