Chlorine in PDB 5jeu: Del-[Ru(Phen)2(Dppz)]2+ Bound to D(Tcggcgccga) with BA2+

The structure of Del-[Ru(Phen)2(Dppz)]2+ Bound to D(Tcggcgccga) with BA2+, PDB code: 5jeu was solved by J.P.Hall, C.J.Cardin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.18 / 0.97
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	48.620, 48.620, 29.430, 90.00, 90.00, 90.00
R / Rfree (%)	11.3 / 12.7

The structure of Del-[Ru(Phen)2(Dppz)]2+ Bound to D(Tcggcgccga) with BA2+ also contains other interesting chemical elements:

Ruthenium	(Ru)	2 atoms
Barium	(Ba)	1 atom

The binding sites of Chlorine atom in the Del-[Ru(Phen)2(Dppz)]2+ Bound to D(Tcggcgccga) with BA2+ (pdb code 5jeu). 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 Del-[Ru(Phen)2(Dppz)]2+ Bound to D(Tcggcgccga) with BA2+, PDB code: 5jeu:

Chlorine binding site 1 out of 1 in the Del-[Ru(Phen)2(Dppz)]2+ Bound to D(Tcggcgccga) with BA2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Del-[Ru(Phen)2(Dppz)]2+ Bound to D(Tcggcgccga) with BA2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl104 b:15.8 occ:0.76 H2'' A:DG3 2.7 17.3 1.0 H25 A:0TN102 2.9 13.7 1.0 O A:HOH255 3.0 29.7 1.0 H1' A:DG3 3.1 16.6 1.0 H19 A:0TN102 3.3 13.2 1.0 H26 A:0TN103 3.4 19.9 1.0 C2' A:DG3 3.5 14.4 1.0 C1' A:DG3 3.7 13.8 1.0 H21 A:0TN103 3.8 20.5 1.0 C44 A:0TN103 3.9 16.6 1.0 H4' A:DG3 4.0 17.2 1.0 H5' A:DG4 4.0 23.6 1.0 C43 A:0TN102 4.0 11.4 1.0 C37 A:0TN103 4.1 17.1 1.0 H2' A:DG3 4.2 17.3 1.0 O4' A:DG3 4.2 14.1 1.0 C33 A:0TN102 4.2 11.0 1.0 C4' A:DG3 4.4 14.3 1.0 C3' A:DG3 4.5 15.1 1.0 C32 A:0TN102 4.6 10.5 1.0 O3' A:DG3 4.6 18.0 1.0 C5' A:DG4 4.9 19.7 1.0 C35 A:0TN103 4.9 15.2 1.0 N9 A:DG3 5.0 13.4 1.0

J.P.Hall, P.M.Keane, H.Beer, K.Buchner, G.Winter, T.L.Sorensen, D.J.Cardin, J.A.Brazier, C.J.Cardin. Delta Chirality Ruthenium 'Light-Switch' Complexes Can Bind in the Minor Groove of Dna with Five Different Binding Modes. Nucleic Acids Res. V. 44 9472 2016.
ISSN: ESSN 1362-4962
PubMed: 27599841
DOI: 10.1093/NAR/GKW753