Bromine in PDB 8hu5: Crystal Structure of Dna Octamer Containing Guna[Me,Tbu]

The structure of Crystal Structure of Dna Octamer Containing Guna[Me,Tbu], PDB code: 8hu5 was solved by H.Aoyama, H.Obika, T.Yamaguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.10 / 0.93
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.494, 42.494, 24.315, 90, 90, 90
R / Rfree (%)	19.2 / 21.3

The binding sites of Bromine atom in the Crystal Structure of Dna Octamer Containing Guna[Me,Tbu] (pdb code 8hu5). 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 Crystal Structure of Dna Octamer Containing Guna[Me,Tbu], PDB code: 8hu5:

Bromine binding site 1 out of 1 in the Crystal Structure of Dna Octamer Containing Guna[Me,Tbu]


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 Dna Octamer Containing Guna[Me,Tbu] within 5.0Å range: probe atom residue distance (Å) B Occ A:Br4 b:11.0 occ:0.74 BR A:BRU4 0.0 11.0 0.7 C5 A:BRU4 1.9 9.4 1.0 C6 A:BRU4 2.8 9.2 1.0 C4 A:BRU4 2.9 8.0 1.0 O4 A:BRU4 3.1 8.4 1.0 O A:HOH124 3.2 18.5 1.0 O A:HOH107 3.6 20.7 1.0 C8 A:DG3 3.6 9.9 1.0 N7 A:DG3 3.6 8.9 1.0 C5 A:DG3 3.7 8.4 1.0 N9 A:DG3 3.7 9.7 1.0 C4 A:DG3 3.7 9.9 1.0 O A:HOH108 3.8 21.1 1.0 OP2 A:BRU4 3.8 13.6 1.0 C3' A:DG3 3.9 10.1 1.0 O A:HOH125 4.0 13.0 1.0 O A:HOH123 4.0 16.3 1.0 N3 A:BRU4 4.1 7.6 1.0 N1 A:BRU4 4.1 8.3 1.0 C2' A:DG3 4.1 11.0 1.0 O A:HOH138 4.1 17.9 1.0 O A:HOH144 4.3 31.9 1.0 O5' A:BRU4 4.4 10.7 1.0 C6 A:DG3 4.4 8.2 1.0 N3 A:DG3 4.4 9.6 1.0 C1' A:DG3 4.4 10.3 1.0 P A:BRU4 4.6 11.1 1.0 O5' A:DG3 4.6 10.0 1.0 C2 A:BRU4 4.6 8.2 1.0 O3' A:DG3 4.8 11.1 1.0 O A:HOH120 4.8 21.7 1.0 N1 A:DG3 4.9 8.2 1.0 C2 A:DG3 4.9 8.7 1.0 O6 A:DG3 5.0 8.9 1.0

T.Yamaguchi, N.Horie, H.Aoyama, S.Kumagai, S.Obika. Mechanism of the Extremely High Duplex-Forming Ability of Oligonucleotides Modified with N-Tert-Butylguanidine- or N-Tert-Butyl-N'-Methylguanidine-Bridged Nucleic Acids. Nucleic Acids Res. 2023.
ISSN: ESSN 1362-4962
PubMed: 37462081
DOI: 10.1093/NAR/GKAD608