Chlorine in PDB 1xcs: Structure of Oligonucleotide/Drug Complex

The structure of Structure of Oligonucleotide/Drug Complex, PDB code: 1xcs 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)	40.82 / 1.40
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	28.659, 53.473, 40.691, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 25.1

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

Cobalt	(Co)	2 atoms
Barium	(Ba)	1 atom

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

Chlorine binding site 1 out of 1 in the Structure of Oligonucleotide/Drug Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Oligonucleotide/Drug Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl71 b:36.4 occ:0.50 CL15 A:A4L71 0.0 36.4 0.5 C2 A:A4L71 1.8 32.2 0.5 C3 A:A4L71 2.7 30.8 0.5 O4' A:DG6 2.8 30.6 1.0 C1 A:A4L71 2.8 30.9 0.5 C4' A:DG6 3.4 31.4 1.0 C5' A:DG6 3.4 32.7 1.0 C28 A:A4L71 3.9 26.5 0.5 C4 A:A4L71 4.0 29.9 0.5 C1' A:DG6 4.0 29.4 1.0 C6 A:A4L71 4.1 30.3 0.5 O2 A:DC5 4.2 25.5 1.0 O5' A:DG6 4.2 34.1 1.0 N3 A:DG6 4.2 24.7 1.0 C2' A:DC5 4.6 30.1 1.0 N9 A:DG6 4.6 27.7 1.0 N2 B:DG8 4.7 24.8 1.0 C5 A:A4L71 4.7 29.4 0.5 C2 A:DC5 4.7 24.9 1.0 C4 A:DG6 4.7 26.3 1.0 C1' A:DC5 4.8 28.4 1.0 C3' A:DG6 4.9 30.8 1.0 C26 A:A4L71 5.0 25.6 0.5

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