Bromine in PDB 4rip: Bromouracil Substituted Structure of Intercalation-Locked Dna Tetraplex

The structure of Bromouracil Substituted Structure of Intercalation-Locked Dna Tetraplex, PDB code: 4rip was solved by S.K.Tripathi, D.Zhang, P.Paukstelis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.00 / 2.10
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	26.400, 26.400, 166.452, 90.00, 90.00, 120.00
R / Rfree (%)	23.2 / 23.8

The binding sites of Bromine atom in the Bromouracil Substituted Structure of Intercalation-Locked Dna Tetraplex (pdb code 4rip). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Bromouracil Substituted Structure of Intercalation-Locked Dna Tetraplex, PDB code: 4rip:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Bromouracil Substituted Structure of Intercalation-Locked Dna Tetraplex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Bromouracil Substituted Structure of Intercalation-Locked Dna Tetraplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3 b:31.4 occ:0.75 BR A:BRU3 0.0 31.4 0.8 C5 A:BRU3 1.9 25.4 1.0 C6 A:BRU3 2.9 24.1 1.0 C4 A:BRU3 2.9 24.8 1.0 O4 A:BRU3 3.1 22.6 1.0 O A:HOH115 3.4 30.0 0.5 O A:HOH109 3.7 28.2 1.0 C2' A:DC2 3.8 25.4 1.0 C3' A:DC2 4.1 26.7 1.0 N1 A:BRU3 4.1 24.6 1.0 OP1 A:DC2 4.1 29.0 1.0 N3 A:BRU3 4.2 25.4 1.0 C5' A:DA1 4.3 21.6 1.0 O5' A:DC2 4.3 26.1 1.0 O5' A:DA1 4.6 20.7 1.0 C2 A:BRU3 4.7 23.1 1.0 O5' A:BRU3 4.8 27.6 1.0 O A:HOH113 4.8 33.0 1.0 C3' A:DA1 4.9 24.4 1.0 C4' A:DA1 4.9 21.5 1.0 P A:DC2 4.9 27.4 1.0 O3' A:DC2 4.9 26.6 1.0

Bromine binding site 2 out of 2 in the Bromouracil Substituted Structure of Intercalation-Locked Dna Tetraplex


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Bromouracil Substituted Structure of Intercalation-Locked Dna Tetraplex within 5.0Å range: probe atom residue distance (Å) B Occ A:Br8 b:39.3 occ:0.50 BR A:BRU8 0.0 39.3 0.5 C5 A:BRU8 1.9 37.0 1.0 C6 A:BRU8 2.8 38.0 1.0 C4 A:BRU8 2.9 36.6 1.0 O4 A:BRU8 3.1 37.4 1.0 O A:HOH111 3.2 43.1 1.0 O A:HOH123 3.3 36.9 1.0 OP2 A:DA7 3.4 36.4 1.0 N1 A:DG9 3.6 45.8 1.0 C6 A:DG9 3.7 48.1 1.0 O6 A:DG9 3.9 51.3 1.0 O5' A:DA7 4.0 36.1 1.0 N1 A:BRU8 4.1 37.5 1.0 C2 A:DG9 4.1 42.5 1.0 N3 A:BRU8 4.2 35.3 1.0 P A:DA7 4.3 38.1 1.0 C5 A:DG9 4.4 46.5 1.0 C8 A:DA7 4.5 30.9 1.0 N2 A:DG9 4.6 40.1 1.0 C2 A:BRU8 4.6 34.9 1.0 N3 A:DG9 4.8 43.1 1.0 C4 A:DG9 4.8 44.7 1.0 N7 A:DA7 4.8 29.9 1.0 C3' A:DA7 4.9 38.4 1.0 O3' A:DG6 5.0 35.3 1.0

S.Tripathi, D.Zhang, P.J.Paukstelis. An Intercalation-Locked Parallel-Stranded Dna Tetraplex. Nucleic Acids Res. 2015.
ISSN: ESSN 1362-4962
PubMed: 25628357
DOI: 10.1093/NAR/GKV033