Bromine in PDB 2obz: Crystal Structure of the the Brominated Z-Dna Duplex D(Cgcg[Bru]G)

The structure of Crystal Structure of the the Brominated Z-Dna Duplex D(Cgcg[Bru]G), PDB code: 2obz was solved by M.Schiltz, R.Sanishvili, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.98 / 1.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	17.339, 32.074, 44.341, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 21.3

The binding sites of Bromine atom in the Crystal Structure of the the Brominated Z-Dna Duplex D(Cgcg[Bru]G) (pdb code 2obz). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of the the Brominated Z-Dna Duplex D(Cgcg[Bru]G), PDB code: 2obz:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of the the Brominated Z-Dna Duplex D(Cgcg[Bru]G)


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 the the Brominated Z-Dna Duplex D(Cgcg[Bru]G) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br5 b:15.7 occ:1.00 BR A:BRU5 0.0 15.7 1.0 C5 A:BRU5 1.9 10.4 1.0 C6 A:BRU5 2.9 9.8 1.0 C4 A:BRU5 2.9 9.8 1.0 O4 A:BRU5 3.1 10.6 1.0 N4 B:DC7 3.8 10.2 1.0 C2' A:DG4 3.9 11.7 1.0 OP1 A:BRU5 3.9 14.0 1.0 N1 A:BRU5 4.1 9.7 1.0 N3 A:BRU5 4.1 9.9 1.0 N9 A:DG4 4.3 10.3 1.0 O6 A:DG6 4.3 12.4 1.0 C8 A:DG4 4.4 10.9 1.0 C1' A:DG4 4.5 11.1 1.0 C2 A:BRU5 4.6 9.8 1.0 C4 A:DG4 4.7 10.0 1.0 N7 A:DG4 4.8 10.8 1.0 C4 B:DC7 4.9 9.5 1.0 C5 A:DG4 4.9 10.3 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of the the Brominated Z-Dna Duplex D(Cgcg[Bru]G)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the the Brominated Z-Dna Duplex D(Cgcg[Bru]G) within 5.0Å range: probe atom residue distance (Å) B Occ B:Br11 b:14.5 occ:1.00 BR B:BRU11 0.0 14.5 1.0 C5 B:BRU11 1.9 8.4 1.0 C6 B:BRU11 2.8 7.4 1.0 C4 B:BRU11 2.9 7.8 1.0 O4 B:BRU11 3.1 8.0 1.0 C2' B:DG10 3.6 9.0 1.0 N9 B:DG10 3.9 6.7 1.0 N4 A:DC1 3.9 6.9 1.0 C1' B:DG10 4.0 7.6 1.0 C8 B:DG10 4.0 7.2 1.0 N1 B:BRU11 4.1 6.8 1.0 N3 B:BRU11 4.1 7.1 1.0 O6 B:DG12 4.2 8.5 1.0 C4 B:DG10 4.4 6.3 1.0 N7 B:DG10 4.6 6.8 1.0 C2 B:BRU11 4.6 7.0 1.0 C5 B:DG10 4.8 6.3 1.0 C4 A:DC1 4.9 6.3 1.0

R.Sanishvili, C.Besnard, F.Camus, M.Fleurant, P.Pattison, G.Bricongne, M.Schiltz. Polarisation-Dependence of Anomalous Scattering in Brominated Dna and Rna Molecules, and Importance of Crystal Orientation in Sad and Mad Phasing To Be Published.