Bromine in PDB 459d: Dna Minor-Groove Recognition of A Tris-Benzimidazole Drug

The structure of Dna Minor-Groove Recognition of A Tris-Benzimidazole Drug, PDB code: 459d was solved by J.Aymami, C.M.Nunn, S.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	25.500, 40.420, 65.550, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 28.3

The binding sites of Bromine atom in the Dna Minor-Groove Recognition of A Tris-Benzimidazole Drug (pdb code 459d). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Dna Minor-Groove Recognition of A Tris-Benzimidazole Drug, PDB code: 459d:

Bromine binding site 1 out of 1 in the Dna Minor-Groove Recognition of A Tris-Benzimidazole Drug


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Dna Minor-Groove Recognition of A Tris-Benzimidazole Drug within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3 b:0.5 occ:1.00 BR A:CBR3 0.0 0.5 1.0 C5 A:CBR3 1.9 48.1 1.0 C6 A:CBR3 2.8 51.6 1.0 C4 A:CBR3 2.9 57.0 1.0 O A:HOH1041 3.1 57.2 1.0 N4 A:CBR3 3.1 46.9 1.0 C2' A:DG2 3.5 42.2 1.0 C8 A:DG2 3.6 45.1 1.0 O A:HOH1023 3.6 52.9 1.0 N9 A:DG2 3.8 44.7 1.0 N7 A:DG2 4.1 41.6 1.0 N1 A:CBR3 4.1 55.2 1.0 N3 A:CBR3 4.1 63.5 1.0 C1' A:DG2 4.2 46.6 1.0 O B:HOH1096 4.4 58.4 0.5 C4 A:DG2 4.5 45.2 1.0 C5 A:DG2 4.6 45.3 1.0 O A:HOH1112 4.6 49.3 0.5 C2 A:CBR3 4.6 54.9 1.0 O A:HOH1008 4.8 51.5 1.0 N6 A:DA4 4.8 55.6 1.0 C3' A:DG2 4.9 50.0 1.0 OP2 A:CBR3 4.9 62.8 1.0

J.Aymami, C.M.Nunn, S.Neidle. Dna Minor Groove Recognition of A Non-Self-Complementary at-Rich Sequence By A Tris-Benzimidazole Ligand. Nucleic Acids Res. V. 27 2691 1999.
ISSN: ISSN 0305-1048
PubMed: 10373586
DOI: 10.1093/NAR/27.13.2691