Chlorine in PDB 8ce2: X-Ray Structure of the Adduct Formed Upon Reaction of A B-Dna Double Helical Dodecamer with Dirhodium Tetraacetate

The structure of X-Ray Structure of the Adduct Formed Upon Reaction of A B-Dna Double Helical Dodecamer with Dirhodium Tetraacetate, PDB code: 8ce2 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)	34.36 / 1.24
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	25.53, 40.31, 65.71, 90, 90, 90
R / Rfree (%)	19.7 / 22.3

The structure of X-Ray Structure of the Adduct Formed Upon Reaction of A B-Dna Double Helical Dodecamer with Dirhodium Tetraacetate also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Rhodium	(Rh)	2 atoms

The binding sites of Chlorine atom in the X-Ray Structure of the Adduct Formed Upon Reaction of A B-Dna Double Helical Dodecamer with Dirhodium Tetraacetate (pdb code 8ce2). 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 X-Ray Structure of the Adduct Formed Upon Reaction of A B-Dna Double Helical Dodecamer with Dirhodium Tetraacetate, PDB code: 8ce2:

Chlorine binding site 1 out of 1 in the X-Ray Structure of the Adduct Formed Upon Reaction of A B-Dna Double Helical Dodecamer with Dirhodium Tetraacetate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Adduct Formed Upon Reaction of A B-Dna Double Helical Dodecamer with Dirhodium Tetraacetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl104 b:30.1 occ:0.80 O A:HOH274 2.9 42.3 1.0 N4 A:DC11 3.1 17.1 1.0 O A:HOH282 3.2 33.9 1.0 C5 A:DC11 3.5 18.1 1.0 C4 A:DC11 3.8 16.8 1.0 C8 A:DG10 3.8 17.0 1.0 C2' A:DG10 3.9 20.8 1.0 N9 A:DG10 4.0 17.1 1.0 N7 A:DG10 4.2 16.7 1.0 C1' A:DG10 4.3 18.8 1.0 O B:HOH153 4.4 41.1 1.0 O B:HOH150 4.5 26.1 1.0 O A:HOH227 4.6 34.5 1.0 C4 A:DG10 4.7 16.1 1.0 O A:HOH275 4.7 37.0 1.0 C5 A:DG10 4.8 14.3 1.0 C6 A:DC11 4.8 18.0 1.0 O A:HOH259 4.8 40.6 1.0 N4 B:DC13 4.9 19.7 1.0

G.Tito, R.Troisi, G.Ferraro, A.Geri, L.Massai, L.Messori, F.Sica, A.Merlino. Dirhodium Tetraacetate Binding to A B-Dna Double Helical Dodecamer Probed By X-Ray Crystallography and Mass Spectrometry. Dalton Trans 2023.
ISSN: ESSN 1477-9234
PubMed: 37199244
DOI: 10.1039/D3DT00320E