Bromine in PDB 1da1: Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment

The structure of Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment, PDB code: 1da1 was solved by T.Brown, G.Kneale, W.N.Hunter, O.Kennard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	17.940, 30.850, 49.950, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Bromine atom in the Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment (pdb code 1da1). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment, PDB code: 1da1:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:11.6 occ:1.00 BR A:BRU1 0.0 11.6 1.0 C5 A:BRU1 1.8 7.6 1.0 C6 A:BRU1 2.7 7.2 1.0 C4 A:BRU1 2.8 8.0 1.0 O4 A:BRU1 3.1 8.8 1.0 O A:HOH47 3.7 16.2 1.0 N1 A:BRU1 4.0 7.2 1.0 N3 A:BRU1 4.1 7.5 1.0 N4 B:DC11 4.3 3.0 1.0 O6 A:DG2 4.6 2.0 1.0 C2 A:BRU1 4.6 7.5 1.0 O5' A:BRU1 4.9 5.0 1.0

Bromine binding site 2 out of 2 in the Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structural Characterisation of the Bromouracil-Guanine Base Pair Mismatch in A Z-Dna Fragment within 5.0Å range: probe atom residue distance (Å) B Occ B:Br7 b:9.8 occ:1.00 BR B:BRU7 0.0 9.8 1.0 C5 B:BRU7 1.8 7.2 1.0 C6 B:BRU7 2.7 5.9 1.0 C4 B:BRU7 2.8 7.2 1.0 O4 B:BRU7 3.1 6.8 1.0 O B:HOH33 3.7 25.2 1.0 N4 A:DC5 3.9 6.8 1.0 N1 B:BRU7 4.0 7.6 1.0 N3 B:BRU7 4.1 5.8 1.0 O B:HOH56 4.2 6.5 1.0 O6 B:DG8 4.3 3.5 1.0 O B:HOH42 4.6 45.5 1.0 C2 B:BRU7 4.6 7.4 1.0 C4 A:DC5 4.8 7.6 1.0 O5' B:BRU7 4.8 3.1 1.0

T.Brown, G.Kneale, W.N.Hunter, O.Kennard. Structural Characterisation of the Bromouracil.Guanine Base Pair Mismatch in A Z-Dna Fragment. Nucleic Acids Res. V. 14 1801 1986.
ISSN: ISSN 0305-1048
PubMed: 3951996
DOI: 10.1093/NAR/14.4.1801