Bromine in PDB 6tf2: Crystal Structure of the Adp-Binding Domain of the Nad+ Riboswitch with Adenosine 5-Triphosphate (Atp)

The structure of Crystal Structure of the Adp-Binding Domain of the Nad+ Riboswitch with Adenosine 5-Triphosphate (Atp), PDB code: 6tf2 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)	54.98 / 2.55
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.410, 59.030, 190.980, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 23.9

The structure of Crystal Structure of the Adp-Binding Domain of the Nad+ Riboswitch with Adenosine 5-Triphosphate (Atp) also contains other interesting chemical elements:

Magnesium	(Mg)	5 atoms
Sodium	(Na)	1 atom

The binding sites of Bromine atom in the Crystal Structure of the Adp-Binding Domain of the Nad+ Riboswitch with Adenosine 5-Triphosphate (Atp) (pdb code 6tf2). 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 Adp-Binding Domain of the Nad+ Riboswitch with Adenosine 5-Triphosphate (Atp), PDB code: 6tf2:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of the Adp-Binding Domain of the Nad+ Riboswitch with Adenosine 5-Triphosphate (Atp)


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 Adp-Binding Domain of the Nad+ Riboswitch with Adenosine 5-Triphosphate (Atp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br107 b:0.5 occ:1.00 C5 A:C42 2.0 0.6 1.0 C4 A:C42 2.7 90.0 1.0 N4 A:C42 2.8 77.1 1.0 C6 A:C42 3.0 98.5 1.0 C4 A:U41 3.6 62.9 1.0 N3 A:U41 3.7 57.8 1.0 C5 A:U41 3.7 68.8 1.0 C6 A:U41 3.8 71.8 1.0 C2 A:U41 3.8 70.7 1.0 N1 A:U41 3.9 72.1 1.0 OP2 A:C42 3.9 80.3 1.0 N3 A:C42 4.0 82.2 1.0 O4 A:U41 4.1 70.6 1.0 N1 A:C42 4.2 85.2 1.0 C2' A:U41 4.3 73.6 1.0 O2 A:U41 4.4 75.2 1.0 C3' A:U41 4.5 79.2 1.0 C2 A:C42 4.6 79.1 1.0 O5' A:C42 4.7 76.0 1.0 C1' A:U41 4.7 72.5 1.0 P A:C42 4.9 73.8 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of the Adp-Binding Domain of the Nad+ Riboswitch with Adenosine 5-Triphosphate (Atp)


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 Adp-Binding Domain of the Nad+ Riboswitch with Adenosine 5-Triphosphate (Atp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br108 b:0.0 occ:1.00 C5 A:C45 2.1 98.7 1.0 C4 A:C45 3.0 83.1 1.0 N4 A:C45 3.1 75.0 1.0 C6 A:C45 3.2 91.8 1.0 N7 A:A44 3.8 79.3 1.0 C8 A:A44 3.9 81.6 1.0 OP2 A:C45 4.0 91.1 1.0 C5 A:A44 4.3 76.7 1.0 N3 A:C45 4.3 73.6 1.0 N1 A:C45 4.4 80.8 1.0 N9 A:A44 4.5 81.8 1.0 C4 A:A44 4.7 76.1 1.0 C3' A:A44 4.7 79.1 1.0 C2 A:C45 4.9 77.5 1.0 O5' A:C45 4.9 84.6 1.0 O5' A:A44 5.0 88.7 1.0 C6 A:A44 5.0 70.9 1.0

L.Huang, J.Wang, D.M.J.Lilley. Structure and Ligand Binding of the Adp-Binding Domain of the Nad+ Riboswitch. Rna V. 26 878 2020.
ISSN: ESSN 1469-9001
PubMed: 32295864
DOI: 10.1261/RNA.074898.120