Bromine in PDB 3gdd: An Inverted Anthraquinone-Dna Crystal Structure

The structure of An Inverted Anthraquinone-Dna Crystal Structure, PDB code: 3gdd was solved by J.A.Subirana, D.De Luchi, G.Wright, C.Gouyette, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.26 / 2.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	29.698, 29.698, 60.883, 90.00, 90.00, 90.00
R / Rfree (%)	23.2 / 25.9

The structure of An Inverted Anthraquinone-Dna Crystal Structure also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Bromine atom in the An Inverted Anthraquinone-Dna Crystal Structure (pdb code 3gdd). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the An Inverted Anthraquinone-Dna Crystal Structure, PDB code: 3gdd:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the An Inverted Anthraquinone-Dna Crystal Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of An Inverted Anthraquinone-Dna Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:62.5 occ:1.00 BR A:BRU1 0.0 62.5 1.0 C5 A:BRU1 1.6 58.7 1.0 C6 A:BRU1 2.6 59.4 1.0 C4 A:BRU1 2.7 55.5 1.0 O4 A:BRU1 3.0 56.0 1.0 N1 A:BRU1 3.8 56.8 1.0 N3 A:BRU1 3.9 53.4 1.0 C2 A:BRU1 4.3 54.0 1.0 N6 A:DA2 4.4 43.4 1.0 O5' A:BRU1 4.7 68.2 1.0

Bromine binding site 2 out of 2 in the An Inverted Anthraquinone-Dna Crystal Structure


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of An Inverted Anthraquinone-Dna Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1 b:57.5 occ:1.00 BR B:BRU1 0.0 57.5 1.0 C5 B:BRU1 1.6 53.1 1.0 C6 B:BRU1 2.6 53.3 1.0 C4 B:BRU1 2.7 49.8 1.0 O4 B:BRU1 3.0 49.7 1.0 N1 B:BRU1 3.8 50.6 1.0 N3 B:BRU1 3.9 47.9 1.0 C2 B:BRU1 4.3 48.2 1.0 O5' B:BRU1 4.5 62.4 1.0

D.De Luchi, I.Uson, G.Wright, C.Gouyette, J.A.Subirana. Structure of A Stacked Anthraquinone-Dna Complex Acta Crystallogr.,Sect.F V. 66 1019 2010.
ISSN: ESSN 1744-3091
PubMed: 20823516
DOI: 10.1107/S1744309110030034