Bromine in PDB 6yml: Crystal Structure of the Sam-Sah Riboswitch with Decarboxylated Sah

The structure of Crystal Structure of the Sam-Sah Riboswitch with Decarboxylated Sah, PDB code: 6yml was solved by L.Huang, D.M.J.Lilley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.05 / 2.17
Space group	P 3 1 2
Cell size a, b, c (Å), α, β, γ (°)	86.218, 86.218, 75.395, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 23.3

The binding sites of Bromine atom in the Crystal Structure of the Sam-Sah Riboswitch with Decarboxylated Sah (pdb code 6yml). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of the Sam-Sah Riboswitch with Decarboxylated Sah, PDB code: 6yml:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of the Sam-Sah Riboswitch with Decarboxylated Sah


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Sam-Sah Riboswitch with Decarboxylated Sah within 5.0Å range: probe atom residue distance (Å) B Occ A:Br10 b:92.7 occ:1.00 BR A:CBV10 0.0 92.7 1.0 C5 A:CBV10 1.9 74.5 1.0 C6 A:CBV10 2.9 69.1 1.0 C4 A:CBV10 3.0 66.9 1.0 N4 A:CBV10 3.2 55.9 1.0 C5 A:U9 3.7 60.8 1.0 O2P A:CBV10 3.7 92.2 1.0 C4 A:U9 3.9 62.8 1.0 C6 A:U9 3.9 66.4 1.0 N1 A:CBV10 4.1 61.4 1.0 N3 A:U9 4.2 58.4 1.0 N3 A:CBV10 4.2 66.0 1.0 O4 A:U9 4.3 66.7 1.0 N1 A:U9 4.3 69.4 1.0 O5' A:CBV10 4.5 89.3 1.0 C2 A:U9 4.5 66.5 1.0 C3' A:U9 4.6 87.8 1.0 C2 A:CBV10 4.7 61.8 1.0 P A:CBV10 4.7 80.8 1.0 C2' A:U9 4.8 84.3 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of the Sam-Sah Riboswitch with Decarboxylated Sah


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Sam-Sah Riboswitch with Decarboxylated Sah within 5.0Å range: probe atom residue distance (Å) B Occ C:Br10 b:0.9 occ:1.00 BR C:CBV10 0.0 0.9 1.0 C5 C:CBV10 1.9 98.1 1.0 C6 C:CBV10 2.9 92.1 1.0 C4 C:CBV10 2.9 89.9 1.0 N4 C:CBV10 3.2 84.9 1.0 O C:HOH201 3.5 67.0 1.0 C4 C:U9 3.6 74.1 1.0 C5 C:U9 3.6 76.1 1.0 C6 C:U9 3.8 87.7 1.0 N3 C:U9 3.8 82.6 1.0 O4 C:U9 4.0 74.6 1.0 N1 C:U9 4.0 90.5 1.0 O2P C:CBV10 4.1 80.5 1.0 C2 C:U9 4.1 89.6 1.0 N1 C:CBV10 4.1 91.3 1.0 N3 C:CBV10 4.2 86.7 1.0 O5' C:CBV10 4.5 92.6 1.0 C3' C:U9 4.6 0.5 1.0 C2' C:U9 4.6 94.3 1.0 C2 C:CBV10 4.6 86.3 1.0 O2 C:U9 4.8 89.0 1.0 N7 C:A11 4.9 81.5 1.0 P C:CBV10 4.9 0.9 1.0 C1' C:U9 4.9 96.7 1.0

L.Huang, T.W.Liao, J.Wang, T.Ha, D.M.J.Lilley. Crystal Structure and Ligand-Induced Folding of the Sam/Sah Riboswitch. Nucleic Acids Res. V. 48 7545 2020.
ISSN: ESSN 1362-4962
PubMed: 32520325
DOI: 10.1093/NAR/GKAA493