Barium in PDB 1xcu: Oligonucleotid/Drug Complex

The structure of Oligonucleotid/Drug Complex, PDB code: 1xcu was solved by N.Valls, R.A.Steiner, G.Wright, G.N.Murshudov, J.A.Subirana, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.00
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	29.056, 52.856, 40.084, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 25.2

The structure of Oligonucleotid/Drug Complex also contains other interesting chemical elements:

Cobalt	(Co)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Barium atom in the Oligonucleotid/Drug Complex (pdb code 1xcu). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total only one binding site of Barium was determined in the Oligonucleotid/Drug Complex, PDB code: 1xcu:

Barium binding site 1 out of 1 in the Oligonucleotid/Drug Complex


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Oligonucleotid/Drug Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ba34 b:37.7 occ:0.25 O6 B:DG12 2.6 36.5 1.0 O B:HOH57 2.8 62.2 1.0 O B:HOH49 3.3 38.0 1.0 C6 B:DG12 3.8 40.1 1.0 CO B:CO32 4.2 35.9 0.5 OP2 B:DG12 4.5 35.2 1.0 C5 B:DG12 4.7 37.4 1.0 O B:HOH55 4.7 43.5 1.0 N7 B:DG12 4.7 32.9 1.0 N1 B:DG12 4.8 38.4 1.0

N.Valls, R.A.Steiner, G.Wright, G.N.Murshudov, J.A.Subirana. Variable Role of Ions in Two Drug Intercalation Complexes of Dna J.Biol.Inorg.Chem. V. 10 476 2005.
ISSN: ISSN 0949-8257
PubMed: 15926069
DOI: 10.1007/S00775-005-0655-3