Ruthenium in PDB 4iii: Lambda-[Ru(Tap)2(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution

The structure of Lambda-[Ru(Tap)2(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution, PDB code: 4iii 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)	28.93 / 1.02
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.340, 42.340, 39.630, 90.00, 90.00, 90.00
R / Rfree (%)	10.1 / 11.4

The structure of Lambda-[Ru(Tap)2(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution also contains other interesting chemical elements:

Barium	(Ba)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Ruthenium atom in the Lambda-[Ru(Tap)2(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution (pdb code 4iii). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the Lambda-[Ru(Tap)2(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution, PDB code: 4iii:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in the Lambda-[Ru(Tap)2(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Lambda-[Ru(Tap)2(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru102 b:9.9 occ:0.66 RU A:RCZ102 0.0 9.9 0.7 RU A:RCZ102 0.0 14.2 0.3 N5 A:RCZ102 1.9 18.1 0.3 N12 A:RCZ102 2.0 18.8 0.3 N2 A:RCZ102 2.0 15.1 0.3 N9 A:RCZ102 2.0 13.5 0.3 N8 A:RCZ102 2.0 17.2 0.3 N1 A:RCZ102 2.0 13.0 0.3 N1 A:RCZ102 2.0 10.1 0.7 N5 A:RCZ102 2.0 9.4 0.7 N8 A:RCZ102 2.1 9.0 0.7 N9 A:RCZ102 2.1 11.6 0.7 N2 A:RCZ102 2.1 9.9 0.7 N12 A:RCZ102 2.1 10.7 0.7 C19 A:RCZ102 2.7 16.7 0.3 C36 A:RCZ102 2.8 15.5 0.3 C26 A:RCZ102 2.8 15.6 0.3 C1 A:RCZ102 2.8 15.5 0.3 C29 A:RCZ102 2.8 13.1 0.3 C10 A:RCZ102 2.8 13.6 0.3 C19 A:RCZ102 2.9 9.0 0.7 C29 A:RCZ102 2.9 12.6 0.7 C36 A:RCZ102 2.9 11.7 0.7 C10 A:RCZ102 2.9 10.5 0.7 C1 A:RCZ102 2.9 10.5 0.7 C26 A:RCZ102 2.9 8.8 0.7 C12 A:RCZ102 3.1 14.5 0.3 C20 A:RCZ102 3.1 17.8 0.3 C30 A:RCZ102 3.1 13.2 0.3 C20 A:RCZ102 3.1 9.7 0.7 C2 A:RCZ102 3.1 10.4 0.7 C38 A:RCZ102 3.1 10.8 0.7 C12 A:RCZ102 3.1 10.7 0.7 C28 A:RCZ102 3.1 9.7 0.7 C30 A:RCZ102 3.1 14.0 0.7 C2 A:RCZ102 3.1 15.9 0.3 C38 A:RCZ102 3.1 15.9 0.3 C28 A:RCZ102 3.1 19.6 0.3 H12 A:RCZ102 3.2 14.7 0.3 H12 A:RCZ102 3.2 11.0 0.7 H2 A:RCZ102 3.2 10.7 0.7 H20 A:RCZ102 3.3 9.7 0.7 H30 A:RCZ102 3.3 13.3 0.3 H38 A:RCZ102 3.3 11.3 0.7 H28 A:RCZ102 3.3 10.0 0.7 H30 A:RCZ102 3.3 13.9 0.7 H2 A:RCZ102 3.3 16.1 0.3 H20 A:RCZ102 3.3 18.1 0.3 H28 A:RCZ102 3.4 20.0 0.3 H38 A:RCZ102 3.4 16.1 0.3 C35 A:RCZ102 4.1 13.3 0.3 C22 A:RCZ102 4.2 17.8 0.3 C8 A:RCZ102 4.2 14.4 0.3 C32 A:RCZ102 4.2 12.7 0.3 C25 A:RCZ102 4.2 17.0 0.3 H21 A:DG9 4.2 13.2 0.5 C5 A:RCZ102 4.2 16.3 0.3 H21 A:DG9 4.2 13.2 0.5 C35 A:RCZ102 4.2 13.3 0.7 C5 A:RCZ102 4.2 11.4 0.7 C25 A:RCZ102 4.2 9.1 0.7 C22 A:RCZ102 4.3 9.7 0.7 C8 A:RCZ102 4.3 11.1 0.7 C32 A:RCZ102 4.3 13.9 0.7 C21 A:RCZ102 4.3 19.2 0.3 C3 A:RCZ102 4.3 11.3 0.7 C37 A:RCZ102 4.3 12.4 0.7 C11 A:RCZ102 4.3 15.0 0.3 C37 A:RCZ102 4.4 16.0 0.3 C31 A:RCZ102 4.4 14.3 0.3 C3 A:RCZ102 4.4 16.5 0.3 C11 A:RCZ102 4.4 12.8 0.7 C27 A:RCZ102 4.4 10.1 0.7 C21 A:RCZ102 4.4 10.7 0.7 C27 A:RCZ102 4.4 18.5 0.3 C31 A:RCZ102 4.4 15.2 0.7 H22 A:DG9 4.5 13.6 0.5 H22 A:DG9 4.5 13.6 0.5 O A:HOH275 4.6 13.6 1.0 N2 A:DG9 4.6 13.8 0.5 N2 A:DG9 4.6 13.8 0.5 N6 A:RCZ102 4.7 17.9 0.3 N11 A:RCZ102 4.8 14.4 0.3 C9 A:RCZ102 4.8 14.8 0.3 N7 A:RCZ102 4.8 20.1 0.3 N11 A:RCZ102 4.8 13.0 0.7 C9 A:RCZ102 4.8 11.5 0.7 C4 A:RCZ102 4.8 19.5 0.3 C4 A:RCZ102 4.8 11.7 0.7 N7 A:RCZ102 4.9 9.7 0.7 N6 A:RCZ102 4.9 9.8 0.7 N10 A:RCZ102 4.9 17.0 0.7 N10 A:RCZ102 4.9 14.0 0.3 O A:HOH266 4.9 34.0 1.0

Ruthenium binding site 2 out of 2 in the Lambda-[Ru(Tap)2(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of Lambda-[Ru(Tap)2(11-Cl-Dppz)] with A Dna Decamer at Atomic Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru102 b:14.2 occ:0.33 RU A:RCZ102 0.0 14.2 0.3 RU A:RCZ102 0.0 9.9 0.7 N5 A:RCZ102 1.9 18.1 0.3 N12 A:RCZ102 2.0 18.8 0.3 N9 A:RCZ102 2.0 13.5 0.3 N2 A:RCZ102 2.0 15.1 0.3 N8 A:RCZ102 2.0 17.2 0.3 N1 A:RCZ102 2.0 13.0 0.3 N5 A:RCZ102 2.0 9.4 0.7 N1 A:RCZ102 2.0 10.1 0.7 N8 A:RCZ102 2.0 9.0 0.7 N2 A:RCZ102 2.1 9.9 0.7 N9 A:RCZ102 2.1 11.6 0.7 N12 A:RCZ102 2.1 10.7 0.7 C19 A:RCZ102 2.7 16.7 0.3 C36 A:RCZ102 2.7 15.5 0.3 C26 A:RCZ102 2.8 15.6 0.3 C29 A:RCZ102 2.8 13.1 0.3 C1 A:RCZ102 2.8 15.5 0.3 C10 A:RCZ102 2.8 13.6 0.3 C19 A:RCZ102 2.9 9.0 0.7 C29 A:RCZ102 2.9 12.6 0.7 C36 A:RCZ102 2.9 11.7 0.7 C10 A:RCZ102 2.9 10.5 0.7 C1 A:RCZ102 2.9 10.5 0.7 C26 A:RCZ102 2.9 8.8 0.7 C12 A:RCZ102 3.1 14.5 0.3 C30 A:RCZ102 3.1 13.2 0.3 C20 A:RCZ102 3.1 9.7 0.7 C20 A:RCZ102 3.1 17.8 0.3 C38 A:RCZ102 3.1 10.8 0.7 C12 A:RCZ102 3.1 10.7 0.7 C2 A:RCZ102 3.1 10.4 0.7 C28 A:RCZ102 3.1 9.7 0.7 C2 A:RCZ102 3.1 15.9 0.3 C30 A:RCZ102 3.1 14.0 0.7 C38 A:RCZ102 3.1 15.9 0.3 C28 A:RCZ102 3.1 19.6 0.3 H12 A:RCZ102 3.2 14.7 0.3 H12 A:RCZ102 3.2 11.0 0.7 H2 A:RCZ102 3.2 10.7 0.7 H20 A:RCZ102 3.3 9.7 0.7 H30 A:RCZ102 3.3 13.3 0.3 H38 A:RCZ102 3.3 11.3 0.7 H28 A:RCZ102 3.3 10.0 0.7 H30 A:RCZ102 3.3 13.9 0.7 H2 A:RCZ102 3.3 16.1 0.3 H20 A:RCZ102 3.3 18.1 0.3 H28 A:RCZ102 3.4 20.0 0.3 H38 A:RCZ102 3.4 16.1 0.3 C35 A:RCZ102 4.1 13.3 0.3 C22 A:RCZ102 4.2 17.8 0.3 C32 A:RCZ102 4.2 12.7 0.3 C8 A:RCZ102 4.2 14.4 0.3 C25 A:RCZ102 4.2 17.0 0.3 C5 A:RCZ102 4.2 16.3 0.3 H21 A:DG9 4.2 13.2 0.5 H21 A:DG9 4.2 13.2 0.5 C25 A:RCZ102 4.2 9.1 0.7 C35 A:RCZ102 4.2 13.3 0.7 C5 A:RCZ102 4.3 11.4 0.7 C22 A:RCZ102 4.3 9.7 0.7 C8 A:RCZ102 4.3 11.1 0.7 C32 A:RCZ102 4.3 13.9 0.7 C3 A:RCZ102 4.3 11.3 0.7 C21 A:RCZ102 4.3 19.2 0.3 C37 A:RCZ102 4.3 12.4 0.7 C11 A:RCZ102 4.3 15.0 0.3 C37 A:RCZ102 4.3 16.0 0.3 C31 A:RCZ102 4.4 14.3 0.3 C3 A:RCZ102 4.4 16.5 0.3 C11 A:RCZ102 4.4 12.8 0.7 C27 A:RCZ102 4.4 10.1 0.7 C21 A:RCZ102 4.4 10.7 0.7 C27 A:RCZ102 4.4 18.5 0.3 C31 A:RCZ102 4.4 15.2 0.7 H22 A:DG9 4.5 13.6 0.5 H22 A:DG9 4.5 13.6 0.5 O A:HOH275 4.6 13.6 1.0 N2 A:DG9 4.6 13.8 0.5 N2 A:DG9 4.6 13.8 0.5 N6 A:RCZ102 4.7 17.9 0.3 N11 A:RCZ102 4.8 14.4 0.3 C9 A:RCZ102 4.8 14.8 0.3 C9 A:RCZ102 4.8 11.5 0.7 N7 A:RCZ102 4.8 20.1 0.3 N11 A:RCZ102 4.8 13.0 0.7 C4 A:RCZ102 4.8 19.5 0.3 C4 A:RCZ102 4.8 11.7 0.7 N7 A:RCZ102 4.9 9.7 0.7 N6 A:RCZ102 4.9 9.8 0.7 N10 A:RCZ102 4.9 14.0 0.3 N10 A:RCZ102 4.9 17.0 0.7 O A:HOH266 4.9 34.0 1.0

J.P.Hall, H.Beer, K.Buchner, D.J.Cardin, C.J.Cardin. Preferred Orientation in An Angled Intercalation Site of A Chloro-Substituted Lambda-[Ru(Tap)2(Dppz)]2+ Complex Bound to D(Tcggcgccga)2. Philos Trans A Math Phys Eng V. 371 20525 2013SCI.
ISSN: ISSN 1364-503X
PubMed: 23776304
DOI: 10.1098/RSTA.2012.0525