Chlorine in PDB 8ri3: Crystal Structure of Transplatin/B-Dna Adduct Obtained Upon 7 Days of Soaking

The structure of Crystal Structure of Transplatin/B-Dna Adduct Obtained Upon 7 Days of Soaking, PDB code: 8ri3 was solved by G.Tito, R.Troisi, G.Ferraro, F.Sica, A.Merlino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.40 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	25.56, 40.39, 65.67, 90, 90, 90
R / Rfree (%)	21.6 / 25.7

The structure of Crystal Structure of Transplatin/B-Dna Adduct Obtained Upon 7 Days of Soaking also contains other interesting chemical elements:

Platinum	(Pt)	3 atoms
Magnesium	(Mg)	1 atom

The binding sites of Chlorine atom in the Crystal Structure of Transplatin/B-Dna Adduct Obtained Upon 7 Days of Soaking (pdb code 8ri3). 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 Crystal Structure of Transplatin/B-Dna Adduct Obtained Upon 7 Days of Soaking, PDB code: 8ri3:

Chlorine binding site 1 out of 1 in the Crystal Structure of Transplatin/B-Dna Adduct Obtained Upon 7 Days of Soaking


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Transplatin/B-Dna Adduct Obtained Upon 7 Days of Soaking within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl106 b:26.5 occ:0.30 PT A:PT104 2.1 51.8 0.3 N A:NH3105 2.8 31.9 0.3 N7 A:DG4 2.8 19.8 1.0 O B:HOH207 3.6 31.1 1.0 O6 A:DG4 3.7 20.3 1.0 C5 A:DG4 3.8 16.3 1.0 C8 A:DG4 3.8 16.0 1.0 C5 A:DC3 3.9 16.8 1.0 C6 A:DC3 4.1 15.9 1.0 C6 A:DG4 4.1 15.7 1.0 N6 A:DA5 4.5 14.4 1.0 C4 A:DC3 4.6 15.5 1.0 O A:HOH207 4.7 35.3 1.0 O A:HOH233 4.8 35.4 1.0 N1 A:DC3 4.8 15.3 1.0 C4 A:DG4 5.0 17.1 1.0

R.Troisi, G.Tito, G.Ferraro, F.Sica, L.Massai, A.Geri, D.Cirri, L.Messori, A.Merlino. On the Mechanism of Action of Arsenoplatins: Arsenoplatin-1 Binding to A B-Dna Dodecamer. Dalton Trans V. 53 3476 2024.
ISSN: ESSN 1477-9234
PubMed: 38270175
DOI: 10.1039/D3DT04302A