Arsenic in PDB 8c63: Crystal Structure of Arsenoplatin-1/B-Dna Adduct Obtained Upon 4 H of Soaking

The structure of Crystal Structure of Arsenoplatin-1/B-Dna Adduct Obtained Upon 4 H of Soaking, PDB code: 8c63 was solved by R.Troisi, G.Tito, 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)	34.64 / 1.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	25.51, 40.73, 65.85, 90, 90, 90
R / Rfree (%)	23.8 / 26.1

The structure of Crystal Structure of Arsenoplatin-1/B-Dna Adduct Obtained Upon 4 H of Soaking also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Platinum	(Pt)	2 atoms

The binding sites of Arsenic atom in the Crystal Structure of Arsenoplatin-1/B-Dna Adduct Obtained Upon 4 H of Soaking (pdb code 8c63). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Crystal Structure of Arsenoplatin-1/B-Dna Adduct Obtained Upon 4 H of Soaking, PDB code: 8c63:

Arsenic binding site 1 out of 1 in the Crystal Structure of Arsenoplatin-1/B-Dna Adduct Obtained Upon 4 H of Soaking


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of Arsenoplatin-1/B-Dna Adduct Obtained Upon 4 H of Soaking within 5.0Å range: probe atom residue distance (Å) B Occ B:As101 b:44.1 occ:0.20 AS1 B:A6R101 0.0 44.1 0.2 O4 B:A6R101 1.7 45.2 0.2 O3 B:A6R101 1.7 43.5 0.2 O2 B:A6R101 2.0 42.9 0.2 O1 B:A6R101 2.0 42.9 0.2 PT1 B:A6R101 2.3 39.3 0.2 C3 B:A6R101 2.8 40.0 0.2 C1 B:A6R101 2.9 41.6 0.2 N2 B:A6R101 2.9 38.9 0.2 N1 B:A6R101 3.0 40.3 0.2 O A:HOH207 3.8 42.4 0.8 O B:HOH216 4.1 49.0 1.0 C4 B:A6R101 4.2 40.0 0.2 N7 B:DG14 4.2 29.8 1.0 C2 B:A6R101 4.3 42.3 0.2 C2' B:DC13 4.7 44.8 1.0 C8 B:DG14 4.9 31.3 1.0 N4 B:DC15 4.9 27.7 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 2024.
ISSN: ESSN 1477-9234
DOI: 10.1039/D3DT04302A