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

The structure of The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Guanidine., PDB code: 5nwq 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)	41.80 / 1.91
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	83.604, 83.604, 66.594, 90.00, 90.00, 120.00
R / Rfree (%)	20.5 / 22.3

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

Magnesium	(Mg)	3 atoms
Potassium	(K)	1 atom
Sodium	(Na)	8 atoms

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

Bromine binding site 1 out of 2 in the The Structure of the Thermobifida Fusca Guanidine III Riboswitch with Guanidine.


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 Guanidine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Br39 b:52.0 occ:1.00 BR A:CBV39 0.0 52.0 1.0 C5 A:CBV39 1.9 37.9 1.0 HN42 A:CBV39 2.8 48.6 1.0 C6 A:CBV39 2.9 44.3 1.0 C4 A:CBV39 3.0 35.3 1.0 H6 A:CBV39 3.0 53.1 1.0 N4 A:CBV39 3.2 40.5 1.0 N7 A:G38 3.5 36.5 1.0 C5 A:G38 3.6 37.9 1.0 H3' A:G38 3.7 52.4 1.0 C8 A:G38 3.7 43.6 1.0 O4 A:U11 3.8 34.8 1.0 O2P A:CBV39 3.8 43.8 1.0 C4 A:G38 3.9 37.1 1.0 H21 A:G10 4.0 51.1 1.0 N9 A:G38 4.0 37.0 1.0 HN41 A:CBV39 4.0 48.6 1.0 C6 A:G38 4.0 42.9 1.0 H8 A:G38 4.1 52.3 1.0 H2' A:G38 4.1 46.2 1.0 N1 A:CBV39 4.3 38.8 1.0 N3 A:CBV39 4.3 38.7 1.0 N2 A:G10 4.4 42.6 1.0 H1 A:G10 4.4 39.4 1.0 O6 A:G38 4.4 38.7 1.0 C3' A:G38 4.5 43.6 1.0 O5' A:CBV39 4.6 37.3 1.0 N3 A:G38 4.7 32.7 1.0 C2' A:G38 4.7 38.5 1.0 N1 A:G38 4.7 34.4 1.0 H22 A:G10 4.7 51.1 1.0 N1 A:G10 4.8 32.8 1.0 C2 A:G10 4.8 39.6 1.0 C2 A:CBV39 4.8 30.3 1.0 P A:CBV39 4.9 46.9 1.0 C1' A:G38 4.9 43.0 1.0 C2 A:G38 5.0 40.0 1.0 C4 A:U11 5.0 41.3 1.0

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


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 Guanidine. within 5.0Å range: probe atom residue distance (Å) B Occ B:Br39 b:62.9 occ:1.00 BR B:CBV39 0.0 62.9 1.0 C5 B:CBV39 1.9 53.9 1.0 HN42 B:CBV39 2.7 57.7 1.0 C6 B:CBV39 3.0 47.3 1.0 C4 B:CBV39 3.0 53.0 1.0 H6 B:CBV39 3.0 56.8 1.0 N4 B:CBV39 3.2 48.1 1.0 N7 B:G38 3.4 64.2 1.0 C5 B:G38 3.5 49.4 1.0 H3' B:G38 3.6 76.3 1.0 O4 B:U11 3.7 57.6 1.0 C8 B:G38 3.7 55.3 1.0 O1P B:CBV39 3.8 68.5 1.0 C4 B:G38 3.9 61.8 1.0 N9 B:G38 4.0 57.9 1.0 C6 B:G38 4.0 61.2 1.0 HN41 B:CBV39 4.0 57.7 1.0 H2' B:G38 4.1 73.7 1.0 H8 B:G38 4.1 66.3 1.0 H21 B:G10 4.2 68.6 1.0 N1 B:CBV39 4.3 52.0 1.0 N3 B:CBV39 4.3 51.6 1.0 H1 B:G10 4.4 71.7 1.0 O6 B:G38 4.4 59.4 1.0 C3' B:G38 4.4 63.6 1.0 O5' B:CBV39 4.6 59.0 1.0 N2 B:G10 4.6 57.1 1.0 C2' B:G38 4.6 61.4 1.0 N3 B:G38 4.7 64.8 1.0 N1 B:G38 4.7 53.6 1.0 P B:CBV39 4.8 66.9 1.0 N1 B:G10 4.8 59.7 1.0 C2 B:CBV39 4.9 56.7 1.0 C4 B:U11 4.9 57.6 1.0 C1' B:G38 4.9 62.7 1.0 C2 B:G10 4.9 60.2 1.0 O5' B:G38 5.0 75.1 1.0 H22 B:G10 5.0 68.6 1.0 C2 B:G38 5.0 54.3 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