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Ruthenium in PDB 4x18: [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga)

Protein crystallography data

The structure of [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga), PDB code: 4x18 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) 28.70 / 1.05
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 42.160, 42.160, 39.170, 90.00, 90.00, 90.00
R / Rfree (%) 9.6 / 10.5

Other elements in 4x18:

The structure of [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga) also contains other interesting chemical elements:

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

Ruthenium Binding Sites:

The binding sites of Ruthenium atom in the [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga) (pdb code 4x18). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total only one binding site of Ruthenium was determined in the [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga), PDB code: 4x18:

Ruthenium binding site 1 out of 1 in 4x18

Go back to Ruthenium Binding Sites List in 4x18
Ruthenium binding site 1 out of 1 in the [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga)


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of [Ru(Tap)2(Dppz-11-Me)]2+ Bound to D(Tcggcgccga) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ru101

b:10.4
occ:1.00
RU A:RKM101 0.0 10.4 1.0
N5 A:RKM101 2.0 11.6 1.0
N9 A:RKM101 2.0 10.0 1.0
N8 A:RKM101 2.0 10.9 1.0
N2 A:RKM101 2.0 10.3 1.0
N1 A:RKM101 2.0 10.7 1.0
N12 A:RKM101 2.1 10.2 1.0
C26 A:RKM101 2.8 11.9 1.0
C19 A:RKM101 2.8 12.6 1.0
C29 A:RKM101 2.8 9.4 1.0
C10 A:RKM101 2.9 10.7 1.0
C36 A:RKM101 2.9 9.7 1.0
C1 A:RKM101 2.9 10.7 1.0
C30 A:RKM101 3.1 10.7 1.0
C28 A:RKM101 3.1 11.5 1.0
C12 A:RKM101 3.1 11.6 1.0
C2 A:RKM101 3.1 10.9 1.0
C38 A:RKM101 3.1 10.3 1.0
C20 A:RKM101 3.1 13.5 1.0
H2 A:RKM101 3.2 12.2 1.0
H12 A:RKM101 3.2 14.1 1.0
H30 A:RKM101 3.2 10.8 1.0
H28 A:RKM101 3.3 11.9 1.0
H38 A:RKM101 3.3 10.5 1.0
H20 A:RKM101 3.3 13.8 1.0
C25 A:RKM101 4.2 12.8 1.0
C35 A:RKM101 4.2 9.7 1.0
C32 A:RKM101 4.2 10.2 1.0
C22 A:RKM101 4.2 13.5 1.0
C8 A:RKM101 4.2 11.5 1.0
C5 A:RKM101 4.2 11.5 1.0
C11 A:RKM101 4.3 11.8 1.0
C31 A:RKM101 4.4 10.8 1.0
C3 A:RKM101 4.4 12.6 1.0
C27 A:RKM101 4.4 12.5 1.0
C37 A:RKM101 4.4 11.0 1.0
C21 A:RKM101 4.4 14.5 1.0
CL A:CL103 4.4 16.2 0.7
O A:HOH225 4.6 12.6 1.0
O2 A:DC2 4.8 11.8 1.0
O A:HOH261 4.8 33.5 1.0
C4 A:RKM101 4.8 13.0 1.0
N7 A:RKM101 4.8 13.7 1.0
C9 A:RKM101 4.8 12.4 1.0
N6 A:RKM101 4.9 14.5 1.0
N10 A:RKM101 4.9 10.6 1.0
N11 A:RKM101 4.9 10.6 1.0

Reference:

J.P.Hall, H.Beer, K.Buchner, D.J.Cardin, C.J.Cardin. The Structural Effect of Methyl Substitution on the Binding of Polypyridyl Ru-Dppz Complexes to Dna Organometallics 2015.
ISSN: ISSN 0276-7333
DOI: 10.1021/OM501208X
Page generated: Wed Dec 16 02:08:25 2020

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