Bromine in PDB 6tff: Crystal Structure of the Adp-Binding Domain of the Nad+ Riboswitch with Nicotinamide Adenine Dinucleotide (Nad+)

The structure of Crystal Structure of the Adp-Binding Domain of the Nad+ Riboswitch with Nicotinamide Adenine Dinucleotide (Nad+), PDB code: 6tff 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)	55.42 / 2.52
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.880, 59.844, 192.026, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 22.5

The structure of Crystal Structure of the Adp-Binding Domain of the Nad+ Riboswitch with Nicotinamide Adenine Dinucleotide (Nad+) 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 Nicotinamide Adenine Dinucleotide (Nad+) (pdb code 6tff). 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 Nicotinamide Adenine Dinucleotide (Nad+), PDB code: 6tff:
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 Nicotinamide Adenine Dinucleotide (Nad+)


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 Nicotinamide Adenine Dinucleotide (Nad+) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br107 b:0.6 occ:1.00 C5 A:C45 2.4 94.1 1.0 C4 A:C45 3.2 80.0 1.0 N4 A:C45 3.2 64.3 1.0 C6 A:C45 3.4 86.8 1.0 N7 A:A44 4.0 68.9 1.0 C8 A:A44 4.2 70.8 1.0 OP2 A:C45 4.2 80.5 1.0 N3 A:C45 4.4 69.5 1.0 C5 A:A44 4.5 63.7 1.0 N1 A:C45 4.6 69.5 1.0 N9 A:A44 4.8 71.2 1.0 C4 A:A44 5.0 60.1 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of the Adp-Binding Domain of the Nad+ Riboswitch with Nicotinamide Adenine Dinucleotide (Nad+)


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 Nicotinamide Adenine Dinucleotide (Nad+) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br108 b:0.5 occ:1.00 C5 A:C42 2.2 0.8 1.0 C6 A:C42 3.1 87.0 1.0 C4 A:C42 3.2 84.4 1.0 N4 A:C42 3.3 76.4 1.0 OP2 A:C42 3.6 86.4 1.0 C5 A:U41 3.6 69.4 1.0 C4 A:U41 3.6 60.9 1.0 C6 A:U41 3.7 73.1 1.0 N3 A:U41 3.8 67.0 1.0 N1 A:U41 3.9 61.3 1.0 C2 A:U41 4.0 68.5 1.0 O4 A:U41 4.2 66.2 1.0 C2' A:U41 4.3 68.3 1.0 N1 A:C42 4.4 74.3 1.0 N3 A:C42 4.4 84.6 1.0 C3' A:U41 4.5 70.3 1.0 O5' A:C42 4.6 71.5 1.0 O2 A:U41 4.7 68.1 1.0 P A:C42 4.7 75.1 1.0 C1' A:U41 4.8 70.7 1.0 C2 A:C42 4.9 71.5 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