Barium in PDB 3fqb: Barium Interactions with Z-Dna

The structure of Barium Interactions with Z-Dna, PDB code: 3fqb was solved by P.K.Mandal, S.Venkadesh, N.Vinayak, N.Gautham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.74 / 1.67
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	17.544, 30.512, 44.210, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 22.3

The binding sites of Barium atom in the Barium Interactions with Z-Dna (pdb code 3fqb). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total 2 binding sites of Barium where determined in the Barium Interactions with Z-Dna, PDB code: 3fqb:
Jump to Barium binding site number: 1; 2;

Barium binding site 1 out of 2 in the Barium Interactions with Z-Dna


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Barium Interactions with Z-Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba7 b:22.9 occ:0.85 BA A:BA7 0.0 22.9 0.8 BA A:BA7 1.3 10.9 0.1 O A:HOH30 2.6 33.0 1.0 OP1 A:DC3 2.7 12.3 0.8 O6 A:DG4 2.8 17.5 1.0 N7 A:DG4 3.1 18.4 1.0 C6 A:DG4 3.5 19.3 1.0 C5 A:DG4 3.6 18.2 1.0 P A:DC3 4.0 13.1 0.8 C8 A:DG4 4.2 18.0 1.0 OP2 A:DC3 4.4 14.0 0.8 N4 B:DC9 4.7 18.2 1.0 C6 A:DC3 4.8 10.6 1.0 N1 A:DG4 4.9 20.8 1.0 C5 A:DC3 4.9 12.1 1.0 C4 A:DG4 4.9 18.6 1.0 C2' A:DA2 5.0 13.3 1.0 O6 B:DG8 5.0 18.0 1.0

Barium binding site 2 out of 2 in the Barium Interactions with Z-Dna


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 2 of Barium Interactions with Z-Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Ba7 b:10.9 occ:0.15 BA A:BA7 0.0 10.9 0.1 BA A:BA7 1.3 22.9 0.8 O A:HOH30 2.1 33.0 1.0 N7 A:DG4 3.7 18.4 1.0 OP1 A:DC3 3.7 12.3 0.8 O6 A:DG4 3.9 17.5 1.0 C5 A:DG4 4.6 18.2 1.0 C6 A:DG4 4.6 19.3 1.0 C8 A:DG4 4.8 18.0 1.0 P A:DC3 4.9 13.1 0.8 OP2 A:DC3 4.9 14.0 0.8

P.K.Mandal, S.Venkadesh, N.Gautham. Barium-Dna Interactions To Be Published.