Rhodium 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
Chlorine	(Cl)	1 atom

The binding sites of Rhodium 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 Rhodium atom.
In total 2 binding sites of Rhodium where 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:
Jump to Rhodium binding site number: 1; 2;

Rhodium binding site 1 out of 2 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 Rhodium with other atoms in the Rh 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:Rh102 b:19.9 occ:0.20 RH1 A:RH103 2.4 24.3 0.2 O A:HOH243 2.5 31.3 1.0 N7 A:DA5 2.6 21.6 1.0 O A:HOH256 2.9 53.3 1.0 O A:HOH250 3.0 36.4 1.0 O A:HOH279 3.0 49.5 1.0 C8 A:DA5 3.5 20.7 1.0 C5 A:DA5 3.7 17.8 1.0 N6 A:DA5 3.9 18.9 1.0 O A:HOH210 3.9 45.8 1.0 N6 A:DA6 4.1 15.0 1.0 O A:HOH217 4.2 35.0 1.0 C6 A:DA5 4.2 17.2 1.0 C8 A:DG4 4.2 18.1 1.0 N7 A:DG4 4.5 19.4 1.0 C2' A:DG4 4.5 25.3 1.0 N9 A:DG4 4.6 20.2 1.0 O B:HOH120 4.6 32.0 1.0 O B:HOH180 4.7 21.0 0.2 N9 A:DA5 4.7 22.3 1.0 C4 A:DA5 4.8 18.6 1.0 O B:HOH142 4.8 26.3 1.0 O A:HOH201 4.9 45.7 1.0

Rhodium binding site 2 out of 2 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 Rhodium with other atoms in the Rh binding site number 2 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:Rh103 b:24.3 occ:0.20 O B:HOH180 2.3 21.0 0.2 RH1 A:RH102 2.4 19.9 0.2 O A:HOH256 2.6 53.3 1.0 O A:HOH243 2.9 31.3 1.0 O A:HOH279 3.0 49.5 1.0 O B:HOH142 4.0 26.3 1.0 O A:HOH250 4.2 36.4 1.0 O A:HOH210 4.5 45.8 1.0 O B:HOH120 4.7 32.0 1.0 N7 A:DA5 4.9 21.6 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