Ruthenium in PDB 4m3i: X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg)

The structure of X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg), PDB code: 4m3i was solved by H.Niyazi, S.Teixeira, E.Mitchell, T.Forsyth, C.Cardin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.67 / 2.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.279, 53.279, 33.709, 90.00, 90.00, 90.00
R / Rfree (%)	25.1 / 27.7

The structure of X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg) also contains other interesting chemical elements:

Barium

(Ba)

1 atom

The binding sites of Ruthenium atom in the X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg) (pdb code 4m3i). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg), PDB code: 4m3i:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in the X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru101 b:52.6 occ:1.00 RU A:RML101 0.0 52.6 1.0 N2 A:RML101 1.8 43.1 1.0 N5 A:RML101 1.8 49.0 1.0 N9 A:RML101 1.8 54.0 1.0 N8 A:RML101 1.8 45.1 1.0 N12 A:RML101 1.9 53.3 1.0 N1 A:RML101 1.9 48.1 1.0 C1 A:RML101 2.6 46.7 1.0 C26 A:RML101 2.7 44.5 1.0 C29 A:RML101 2.7 51.6 1.0 C36 A:RML101 2.7 55.9 1.0 C19 A:RML101 2.7 46.3 1.0 C10 A:RML101 2.7 46.0 1.0 C2 A:RML101 2.9 55.9 1.0 C28 A:RML101 3.0 52.6 1.0 C38 A:RML101 3.0 54.0 1.0 C30 A:RML101 3.0 50.9 1.0 C20 A:RML101 3.0 52.7 1.0 C12 A:RML101 3.1 55.9 1.0 C25 A:RML101 4.0 40.6 1.0 C32 A:RML101 4.0 49.6 1.0 C35 A:RML101 4.0 51.0 1.0 C5 A:RML101 4.0 46.2 1.0 C22 A:RML101 4.1 42.5 1.0 C8 A:RML101 4.1 44.0 1.0 C3 A:RML101 4.2 53.8 1.0 C37 A:RML101 4.2 52.5 1.0 C31 A:RML101 4.2 46.0 1.0 C27 A:RML101 4.3 47.3 1.0 C21 A:RML101 4.3 38.3 1.0 C11 A:RML101 4.3 48.5 1.0 N11 A:RML101 4.6 50.7 1.0 C4 A:RML101 4.6 52.3 1.0 N10 A:RML101 4.7 47.7 1.0 N7 A:RML101 4.7 40.9 1.0 C9 A:RML101 4.8 45.4 1.0 N6 A:RML101 4.8 41.9 1.0 C24 A:RML101 5.0 42.4 1.0

Ruthenium binding site 2 out of 2 in the X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz- {ME2})]2+ Bound to D(Ccggtaccgg) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru102 b:65.2 occ:0.50 RU A:RML102 0.0 65.2 0.5 N2 A:RML102 1.8 47.9 0.5 N5 A:RML102 1.9 63.0 0.5 N9 A:RML102 1.9 61.7 0.5 N1 A:RML102 1.9 49.1 0.5 N8 A:RML102 1.9 65.5 0.5 N12 A:RML102 1.9 56.2 0.5 C1 A:RML102 2.6 46.1 0.5 C10 A:RML102 2.7 44.2 0.5 C19 A:RML102 2.7 68.0 0.5 C26 A:RML102 2.7 68.0 0.5 C29 A:RML102 2.7 62.7 0.5 C36 A:RML102 2.8 57.9 0.5 C2 A:RML102 3.0 44.2 0.5 C38 A:RML102 3.0 64.0 0.5 C28 A:RML102 3.0 80.3 0.5 C20 A:RML102 3.0 60.7 0.5 C12 A:RML102 3.1 49.5 0.5 C30 A:RML102 3.1 61.6 0.5 C5 A:RML102 4.0 41.7 0.5 C25 A:RML102 4.1 68.9 0.5 C8 A:RML102 4.1 40.4 0.5 C22 A:RML102 4.1 65.4 0.5 C32 A:RML102 4.1 60.2 0.5 C35 A:RML102 4.2 56.9 0.5 C3 A:RML102 4.3 40.0 0.5 C11 A:RML102 4.3 46.5 0.5 C31 A:RML102 4.3 59.3 0.5 C37 A:RML102 4.3 63.9 0.5 C21 A:RML102 4.3 57.0 0.5 C27 A:RML102 4.3 84.1 0.5 C4 A:RML102 4.7 40.4 0.5 N10 A:RML102 4.7 63.4 0.5 N3 A:DA6 4.7 49.1 1.0 C9 A:RML102 4.8 40.0 0.5 N7 A:RML102 4.8 76.0 0.5 N6 A:RML102 4.8 63.2 0.5 N11 A:RML102 4.8 64.5 0.5 C2 A:DA6 4.9 50.0 1.0

H Niyazi, S Teixeira, E Mitchell, T Forsyth, C Cardin. X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz-{ME2})]2+ Bound to D(Ccggtaccgg) To Be Published.