Magnesium in PDB 5ny8: The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Aminoguanidine

The structure of The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Aminoguanidine, PDB code: 5ny8 was solved by L.Huang, J.Wang, D.M.J.Lilley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.96 / 2.04
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	83.390, 83.390, 66.330, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 22.5

The structure of The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Aminoguanidine also contains other interesting chemical elements:

Bromine	(Br)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Magnesium atom in the The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Aminoguanidine (pdb code 5ny8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Aminoguanidine, PDB code: 5ny8:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Aminoguanidine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Aminoguanidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg102 b:54.7 occ:1.00 OP2 A:C31 1.8 62.3 1.0 OP2 A:A30 2.0 51.1 1.0 O A:HOH216 2.1 42.9 1.0 O A:HOH204 2.1 42.5 1.0 P A:C31 3.3 55.5 1.0 P A:A30 3.4 50.0 1.0 H5'' A:A30 3.6 58.6 1.0 H5 A:C31 3.7 53.0 1.0 O A:HOH202 3.9 39.2 1.0 O5' A:A30 4.0 49.4 1.0 OP1 A:A30 4.0 44.0 1.0 O5' A:C31 4.0 51.9 1.0 OP1 A:C31 4.0 51.1 1.0 H3' A:A30 4.1 68.7 1.0 C5' A:A30 4.3 48.9 1.0 O3' A:A30 4.3 57.3 1.0 H6 A:C31 4.3 60.1 1.0 C5 A:C31 4.4 44.2 1.0 O3' A:G29 4.4 43.0 1.0 C3' A:A30 4.6 57.2 1.0 N7 A:A32 4.7 46.6 1.0 C6 A:C31 4.7 50.1 1.0 HO2' A:G29 4.7 51.3 1.0 OP2 A:A32 4.9 53.3 1.0 H62 A:A32 5.0 57.9 1.0

Magnesium binding site 2 out of 3 in the The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Aminoguanidine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Aminoguanidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg103 b:75.5 occ:1.00 O A:HOH218 1.8 45.2 1.0 N7 A:G3 4.4 57.5 1.0 O6 A:G4 4.5 63.9 1.0 N7 A:G4 4.5 57.9 1.0 O6 A:G3 4.7 57.5 1.0 O A:HOH219 4.9 43.5 1.0 H41 A:C2 5.0 83.8 1.0

Magnesium binding site 3 out of 3 in the The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Aminoguanidine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Aminoguanidine within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:0.5 occ:1.00 O2 B:U11 3.0 66.9 1.0 O2' B:U11 3.8 63.5 1.0 C2 B:U11 3.8 66.2 1.0 N7 B:G10 3.9 74.6 1.0 O6 B:G10 4.0 69.4 1.0 N7 B:G14 4.1 65.6 1.0 H3 B:U11 4.2 75.5 1.0 HO2' B:U11 4.2 76.3 1.0 H5 B:C13 4.4 69.5 1.0 N3 B:U11 4.4 62.9 1.0 H1' B:U11 4.4 85.4 1.0 H41 B:C15 4.5 76.9 1.0 N7 B:G9 4.5 77.4 1.0 H41 B:C13 4.6 67.5 1.0 O6 B:G14 4.7 61.8 1.0 C5 B:G10 4.7 69.7 1.0 N1 B:U11 4.8 68.1 1.0 C6 B:G10 4.8 64.4 1.0 C1' B:U11 4.9 71.2 1.0 C5 B:C13 4.9 57.9 1.0 C2' B:U11 4.9 69.3 1.0 H8 B:G14 5.0 76.6 1.0 C8 B:G10 5.0 75.9 1.0

L.Huang, J.Wang, T.J.Wilson, D.M.J.Lilley. Structure of the Guanidine III Riboswitch. Cell Chem Biol V. 24 1407 2017.
ISSN: ESSN 2451-9456
PubMed: 28988949
DOI: 10.1016/J.CHEMBIOL.2017.08.021