Ruthenium in PDB 4gqj: Complex of A Binuclear Ruthenium Compound D,D-([Mu-(11,11')-Bi(Dppz)- (1,10-Phenanthroline)4-RU2]4+) Bound to D(Cgtacg)

The structure of Complex of A Binuclear Ruthenium Compound D,D-([Mu-(11,11')-Bi(Dppz)- (1,10-Phenanthroline)4-RU2]4+) Bound to D(Cgtacg), PDB code: 4gqj was solved by D.R.Boer, M.Coll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.20 / 2.95
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	85.429, 85.429, 85.429, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.6

The binding sites of Ruthenium atom in the Complex of A Binuclear Ruthenium Compound D,D-([Mu-(11,11')-Bi(Dppz)- (1,10-Phenanthroline)4-RU2]4+) Bound to D(Cgtacg) (pdb code 4gqj). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total 2 binding sites of Ruthenium where determined in the Complex of A Binuclear Ruthenium Compound D,D-([Mu-(11,11')-Bi(Dppz)- (1,10-Phenanthroline)4-RU2]4+) Bound to D(Cgtacg), PDB code: 4gqj:
Jump to Ruthenium binding site number: 1; 2;

Ruthenium binding site 1 out of 2 in the Complex of A Binuclear Ruthenium Compound D,D-([Mu-(11,11')-Bi(Dppz)- (1,10-Phenanthroline)4-RU2]4+) Bound to D(Cgtacg)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Complex of A Binuclear Ruthenium Compound D,D-([Mu-(11,11')-Bi(Dppz)- (1,10-Phenanthroline)4-RU2]4+) Bound to D(Cgtacg) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru101 b:36.2 occ:1.00 RU1 A:RR2101 0.0 36.2 1.0 N24 A:RR2101 1.9 28.2 1.0 NB2 A:RR2101 1.9 22.9 1.0 NA2 A:RR2101 1.9 32.1 1.0 NB1 A:RR2101 2.0 30.0 1.0 N25 A:RR2101 2.0 27.5 1.0 NA1 A:RR2101 2.0 19.6 1.0 CB8 A:RR2101 2.6 19.0 1.0 CB4 A:RR2101 2.6 16.8 1.0 CA8 A:RR2101 2.6 24.2 1.0 CA4 A:RR2101 2.6 16.4 1.0 C4C A:RR2101 2.8 33.1 1.0 C4D A:RR2101 2.8 36.3 1.0 C23 A:RR2101 2.8 36.6 1.0 CBB A:RR2101 3.0 45.0 1.0 C26 A:RR2101 3.0 37.2 1.0 CAB A:RR2101 3.1 39.9 1.0 CB1 A:RR2101 3.1 44.5 1.0 CA1 A:RR2101 3.2 42.2 1.0 CB9 A:RR2101 4.0 29.9 1.0 CB5 A:RR2101 4.0 35.5 1.0 CA9 A:RR2101 4.0 32.7 1.0 CA5 A:RR2101 4.1 30.9 1.0 C8H A:RR2101 4.1 33.9 1.0 C22 A:RR2101 4.1 39.6 1.0 C8E A:RR2101 4.2 38.1 1.0 CBA A:RR2101 4.3 40.4 1.0 CAA A:RR2101 4.3 42.4 1.0 C27 A:RR2101 4.3 41.0 1.0 CB2 A:RR2101 4.3 40.1 1.0 CA2 A:RR2101 4.4 36.5 1.0 C21 A:RR2101 4.6 31.6 1.0 CB0 A:RR2101 4.7 30.6 1.0 CA0 A:RR2101 4.7 33.8 1.0 CB3 A:RR2101 4.7 35.4 1.0 CA3 A:RR2101 4.8 27.8 1.0 C28 A:RR2101 4.8 33.9 1.0 CB7 A:RR2101 5.0 32.4 1.0 CB6 A:RR2101 5.0 38.4 1.0

Ruthenium binding site 2 out of 2 in the Complex of A Binuclear Ruthenium Compound D,D-([Mu-(11,11')-Bi(Dppz)- (1,10-Phenanthroline)4-RU2]4+) Bound to D(Cgtacg)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 2 of Complex of A Binuclear Ruthenium Compound D,D-([Mu-(11,11')-Bi(Dppz)- (1,10-Phenanthroline)4-RU2]4+) Bound to D(Cgtacg) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ru101 b:41.7 occ:1.00 RU2 A:RR2101 0.0 41.7 1.0 N4 A:RR2101 1.9 21.7 1.0 N5 A:RR2101 2.0 29.0 1.0 NC1 A:RR2101 2.0 37.6 1.0 NC2 A:RR2101 2.0 33.8 1.0 ND2 A:RR2101 2.0 25.0 1.0 ND1 A:RR2101 2.0 26.6 1.0 CC4 A:RR2101 2.5 47.0 1.0 CC8 A:RR2101 2.5 44.0 1.0 CD8 A:RR2101 2.6 29.8 1.0 CD4 A:RR2101 2.6 29.9 1.0 C4A A:RR2101 2.7 29.6 1.0 C4B A:RR2101 2.7 32.9 1.0 C3 A:RR2101 2.9 39.5 1.0 C6 A:RR2101 3.0 33.1 1.0 CC1 A:RR2101 3.1 52.1 1.0 CCB A:RR2101 3.1 38.2 1.0 CDB A:RR2101 3.1 37.7 1.0 CD1 A:RR2101 3.1 35.2 1.0 CC5 A:RR2101 4.0 48.0 1.0 CC9 A:RR2101 4.0 40.7 1.0 C8A A:RR2101 4.1 30.9 1.0 CD5 A:RR2101 4.1 39.0 1.0 CD9 A:RR2101 4.1 36.6 1.0 C8D A:RR2101 4.1 29.4 1.0 C2 A:RR2101 4.2 46.3 1.0 C7 A:RR2101 4.3 30.1 1.0 CC2 A:RR2101 4.3 45.3 1.0 CCA A:RR2101 4.3 45.5 1.0 CDA A:RR2101 4.4 41.5 1.0 CD2 A:RR2101 4.4 40.2 1.0 CC3 A:RR2101 4.7 58.5 1.0 C1 A:RR2101 4.7 32.5 1.0 CC0 A:RR2101 4.7 52.6 1.0 C8 A:RR2101 4.7 22.9 1.0 CD3 A:RR2101 4.7 40.0 1.0 CD0 A:RR2101 4.8 35.0 1.0 CC6 A:RR2101 5.0 34.2 1.0 CC7 A:RR2101 5.0 35.4 1.0

D.R.Boer, L.Wu, P.Lincoln, M.Coll. Thread Insertion of A Bis(Dipyridophenazine) Diruthenium Complex Into the Dna Double Helix By the Extrusion of at Base Pairs and Cross-Linking of Dna Duplexes. Angew.Chem.Int.Ed.Engl. V. 53 1949 2014.
ISSN: ISSN 1433-7851
PubMed: 24449275
DOI: 10.1002/ANIE.201308070