Ruthenium in PDB 3uyb: X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggtaccga)

The structure of X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggtaccga), PDB code: 3uyb was solved by H.N.Niyazi, S.C.M.Texeira, E.P.Mitchell, J.C.Cardin, V.T.Forsyth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.45 / 1.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	54.376, 54.376, 28.995, 90.00, 90.00, 90.00
R / Rfree (%)	12.7 / 16.7

The structure of X-Ray Crystal Structure of the Ruthenium Complex [Ru(Tap)2(Dppz)]2+ Bound to D(Tcggtaccga) 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)]2+ Bound to D(Tcggtaccga) (pdb code 3uyb). 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)]2+ Bound to D(Tcggtaccga), PDB code: 3uyb:
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)]2+ Bound to D(Tcggtaccga)


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)]2+ Bound to D(Tcggtaccga) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru11 b:16.4 occ:0.50 RU A:RKL11 0.0 16.4 0.5 N8 A:RKL11 1.9 19.7 0.5 N5 A:RKL11 1.9 15.9 0.5 N12 A:RKL11 1.9 15.9 0.5 N9 A:RKL11 1.9 15.1 0.5 N1 A:RKL11 1.9 15.3 0.5 N2 A:RKL11 1.9 15.1 0.5 C26 A:RKL11 2.7 18.3 0.5 C19 A:RKL11 2.7 16.3 0.5 C36 A:RKL11 2.7 13.7 0.5 C10 A:RKL11 2.8 14.8 0.5 C29 A:RKL11 2.8 13.8 0.5 C1 A:RKL11 2.8 11.5 0.5 C38 A:RKL11 3.0 19.1 0.5 C28 A:RKL11 3.0 19.5 0.5 C20 A:RKL11 3.0 15.5 0.5 C2 A:RKL11 3.0 11.3 0.5 C12 A:RKL11 3.0 15.8 0.5 C30 A:RKL11 3.1 13.8 0.5 C25 A:RKL11 4.1 16.3 0.5 C22 A:RKL11 4.1 19.4 0.5 C35 A:RKL11 4.1 11.9 0.5 C8 A:RKL11 4.2 12.6 0.5 C32 A:RKL11 4.2 16.2 0.5 C5 A:RKL11 4.2 11.8 0.5 C27 A:RKL11 4.2 17.4 0.5 C37 A:RKL11 4.2 19.5 0.5 C21 A:RKL11 4.3 16.9 0.5 C11 A:RKL11 4.3 12.1 0.5 C3 A:RKL11 4.3 12.7 0.5 C31 A:RKL11 4.4 15.9 0.5 N3 A:DA6 4.6 15.4 1.0 N7 A:RKL11 4.6 20.7 0.5 N11 A:RKL11 4.7 18.3 0.5 N6 A:RKL11 4.8 18.4 0.5 O A:HOH15 4.8 25.5 1.0 O4' A:DA6 4.8 18.1 1.0 C9 A:RKL11 4.8 14.6 0.5 C4 A:RKL11 4.8 11.6 0.5 N10 A:RKL11 4.8 13.9 0.5 O A:HOH58 4.9 33.8 1.0 C2 A:DA6 5.0 16.5 1.0

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


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)]2+ Bound to D(Tcggtaccga) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru12 b:14.0 occ:1.00 RU A:RKL12 0.0 14.0 1.0 N2 A:RKL12 1.9 15.6 1.0 N12 A:RKL12 1.9 15.4 1.0 N1 A:RKL12 2.0 15.7 1.0 N5 A:RKL12 2.0 13.9 1.0 N9 A:RKL12 2.0 14.1 1.0 N8 A:RKL12 2.0 13.2 1.0 C1 A:RKL12 2.8 12.4 1.0 C36 A:RKL12 2.8 15.1 1.0 C10 A:RKL12 2.8 11.5 1.0 C19 A:RKL12 2.8 11.5 1.0 C29 A:RKL12 2.8 13.9 1.0 C26 A:RKL12 2.9 12.1 1.0 C2 A:RKL12 3.0 13.3 1.0 C30 A:RKL12 3.0 14.4 1.0 C38 A:RKL12 3.1 16.3 1.0 C12 A:RKL12 3.1 14.6 1.0 C28 A:RKL12 3.1 14.0 1.0 C20 A:RKL12 3.1 12.9 1.0 C35 A:RKL12 4.2 13.0 1.0 C8 A:RKL12 4.2 14.0 1.0 C22 A:RKL12 4.2 12.2 1.0 C5 A:RKL12 4.2 13.0 1.0 C25 A:RKL12 4.2 12.9 1.0 C32 A:RKL12 4.3 14.2 1.0 C37 A:RKL12 4.3 18.2 1.0 C31 A:RKL12 4.3 15.8 1.0 C3 A:RKL12 4.3 13.2 1.0 C11 A:RKL12 4.4 14.1 1.0 C27 A:RKL12 4.4 14.9 1.0 C21 A:RKL12 4.4 14.1 1.0 O A:HOH72 4.7 18.0 1.0 N11 A:RKL12 4.8 15.8 1.0 N10 A:RKL12 4.8 14.4 1.0 C4 A:RKL12 4.8 14.3 1.0 O A:HOH24 4.8 25.4 1.0 N6 A:RKL12 4.8 13.0 1.0 C9 A:RKL12 4.9 15.2 1.0 N7 A:RKL12 4.9 12.4 1.0

H.N.Niyazi, K.O'sullivan, S.C.M.Texeira, E.P.Mitchell, J.M.Kelly, J.C.Cardin, V.T.Forsyth. Crystal Structure of Lambda-[Ru(Tap)2(Dppz)]2+ with D(Tcggtaccga)2 Displaying Kinking of Dna Via Semiintercalation. To Be Published.