Bromine in PDB 5o69: The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Agmatine.

The structure of The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Agmatine., PDB code: 5o69 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)	36.32 / 2.32
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	83.886, 83.886, 67.226, 90.00, 90.00, 120.00
R / Rfree (%)	24.3 / 27

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

Magnesium

(Mg)

1 atom

The binding sites of Bromine atom in the The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Agmatine. (pdb code 5o69). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Agmatine., PDB code: 5o69:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Agmatine.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Agmatine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br2 b:0.0 occ:1.00 BR A:CBV2 0.0 0.0 1.0 C5 A:CBV2 1.9 0.2 1.0 HN42 A:CBV2 2.7 68.9 1.0 H3' A:C1 2.9 0.3 1.0 C4 A:CBV2 3.0 73.2 1.0 C6 A:CBV2 3.0 87.0 1.0 H6 A:CBV2 3.1 0.4 1.0 N4 A:CBV2 3.2 57.4 1.0 O2P A:CBV2 3.5 83.1 1.0 C5 A:C1 3.5 60.8 1.0 C6 A:C1 3.6 67.2 1.0 H5'' A:C1 3.6 0.7 1.0 H5 A:C1 3.7 73.0 1.0 H6 A:C1 3.7 80.7 1.0 C3' A:C1 3.9 0.4 1.0 C4 A:C1 3.9 64.9 1.0 N1 A:C1 4.0 89.9 1.0 HN41 A:CBV2 4.0 68.9 1.0 H2' A:C1 4.3 0.0 1.0 N3 A:CBV2 4.3 73.3 1.0 N3 A:C1 4.3 75.8 1.0 N1 A:CBV2 4.3 53.1 1.0 C2 A:C1 4.4 74.1 1.0 C5' A:C1 4.4 0.6 1.0 O5' A:CBV2 4.5 79.3 1.0 P A:CBV2 4.5 80.7 1.0 N4 A:C1 4.5 52.3 1.0 C2' A:C1 4.5 97.5 1.0 H41 A:C1 4.6 62.8 1.0 O3' A:C1 4.6 0.9 1.0 C4' A:C1 4.6 0.1 1.0 C1' A:C1 4.7 0.8 1.0 C2 A:CBV2 4.9 48.7 1.0 O5' A:C1 4.9 0.4 1.0 O4' A:C1 4.9 97.1 1.0 O3P A:CBV2 4.9 0.4 1.0

Bromine binding site 2 out of 4 in the The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Agmatine.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Agmatine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br39 b:74.7 occ:1.00 BR A:CBV39 0.0 74.7 1.0 C5 A:CBV39 1.9 47.2 1.0 HN42 A:CBV39 2.9 37.8 1.0 C6 A:CBV39 3.0 41.8 1.0 C4 A:CBV39 3.0 43.8 1.0 H6 A:CBV39 3.0 50.1 1.0 N4 A:CBV39 3.3 31.5 1.0 N7 A:G38 3.5 40.0 1.0 C5 A:G38 3.5 36.9 1.0 O4 A:U11 3.7 45.0 1.0 H3' A:G38 3.7 64.6 1.0 C8 A:G38 3.8 48.4 1.0 H21 A:G10 3.8 43.5 1.0 O2P A:CBV39 3.8 56.5 1.0 C4 A:G38 3.9 32.1 1.0 C6 A:G38 4.0 34.4 1.0 N9 A:G38 4.1 37.7 1.0 N2 A:G10 4.1 36.2 1.0 H2' A:G38 4.1 78.6 1.0 H8 A:G38 4.2 58.1 1.0 HN41 A:CBV39 4.2 37.8 1.0 N1 A:CBV39 4.3 38.1 1.0 O6 A:G38 4.3 44.0 1.0 N3 A:CBV39 4.3 31.6 1.0 H1 A:G10 4.4 58.2 1.0 H22 A:G10 4.4 43.5 1.0 C3' A:G38 4.6 53.8 1.0 N1 A:G38 4.6 32.4 1.0 N3 A:G38 4.6 32.8 1.0 C2 A:G10 4.7 32.7 1.0 O5' A:CBV39 4.7 60.9 1.0 N1 A:G10 4.7 48.5 1.0 C2' A:G38 4.7 65.5 1.0 P A:CBV39 4.8 48.4 1.0 C2 A:CBV39 4.9 29.7 1.0 C2 A:G38 4.9 39.9 1.0 C4 A:U11 4.9 34.6 1.0 O3P A:CBV39 5.0 62.0 1.0 C1' A:G38 5.0 45.8 1.0

Bromine binding site 3 out of 4 in the The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Agmatine.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Agmatine. within 5.0Å range: probe atom residue distance (Å) B Occ B:Br2 b:0.2 occ:1.00 BR B:CBV2 0.0 0.2 1.0 C5 B:CBV2 1.9 0.6 1.0 HO5' B:C1 2.7 0.6 1.0 H3' B:C1 2.8 0.0 1.0 HN42 B:CBV2 2.9 0.8 1.0 C6 B:CBV2 3.0 90.4 1.0 C4 B:CBV2 3.0 98.2 1.0 H6 B:CBV2 3.0 0.5 1.0 N4 B:CBV2 3.3 88.2 1.0 O5' B:C1 3.3 0.5 1.0 C6 B:C1 3.5 90.2 1.0 C5 B:C1 3.5 89.7 1.0 O1P B:CBV2 3.6 0.2 1.0 H6 B:C1 3.7 0.2 1.0 H5 B:C1 3.8 0.6 1.0 C3' B:C1 3.8 0.8 1.0 N1 B:C1 3.8 0.8 1.0 C4 B:C1 3.9 90.1 1.0 H2' B:C1 4.0 0.2 1.0 HN41 B:CBV2 4.1 0.8 1.0 C2 B:C1 4.2 0.7 1.0 N3 B:C1 4.2 0.4 1.0 N3 B:CBV2 4.3 93.9 1.0 N1 B:CBV2 4.3 91.4 1.0 C2' B:C1 4.4 0.0 1.0 O5' B:CBV2 4.4 0.5 1.0 C5' B:C1 4.5 0.1 1.0 P B:CBV2 4.5 0.1 1.0 C1' B:C1 4.5 0.3 1.0 C4' B:C1 4.6 0.7 1.0 N4 B:C1 4.6 96.0 1.0 O3' B:C1 4.6 0.6 1.0 H41 B:C1 4.7 0.2 1.0 O4' B:C1 4.8 0.7 1.0 C2 B:CBV2 4.9 91.2 1.0 O3P B:CBV2 4.9 0.3 1.0 H5'' B:C1 4.9 0.5 1.0 O2 B:C1 5.0 0.1 1.0

Bromine binding site 4 out of 4 in the The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Agmatine.


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Agmatine. within 5.0Å range: probe atom residue distance (Å) B Occ B:Br39 b:72.2 occ:1.00 BR B:CBV39 0.0 72.2 1.0 C5 B:CBV39 1.9 45.0 1.0 HN42 B:CBV39 2.8 54.0 1.0 C6 B:CBV39 2.9 44.5 1.0 C4 B:CBV39 3.0 44.2 1.0 H6 B:CBV39 3.0 53.4 1.0 N4 B:CBV39 3.2 45.0 1.0 N7 B:G38 3.5 67.3 1.0 C5 B:G38 3.5 67.3 1.0 O3P B:CBV39 3.7 70.1 1.0 H3' B:G38 3.8 74.0 1.0 C8 B:G38 3.8 58.5 1.0 O4 B:U11 3.9 54.8 1.0 C4 B:G38 3.9 52.2 1.0 C6 B:G38 4.0 79.8 1.0 N9 B:G38 4.0 57.2 1.0 HN41 B:CBV39 4.1 54.0 1.0 H2' B:G38 4.1 72.5 1.0 H21 B:G10 4.1 99.3 1.0 H8 B:G38 4.2 70.2 1.0 N1 B:CBV39 4.3 81.1 1.0 N3 B:CBV39 4.3 43.3 1.0 O6 B:G38 4.4 70.4 1.0 O1P B:CBV39 4.4 84.0 1.0 N2 B:G10 4.5 82.8 1.0 H1 B:G10 4.5 0.3 1.0 C3' B:G38 4.6 61.7 1.0 N3 B:G38 4.6 61.6 1.0 N1 B:G38 4.6 71.3 1.0 C2' B:G38 4.7 60.4 1.0 O5' B:CBV39 4.8 81.3 1.0 H22 B:G10 4.8 99.3 1.0 N1 B:G10 4.8 86.9 1.0 C2 B:CBV39 4.8 55.3 1.0 C2 B:G10 4.9 77.3 1.0 C2 B:G38 4.9 71.6 1.0 P B:CBV39 4.9 69.5 1.0 C1' B:G38 5.0 65.8 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