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Barium in PDB 4x1a: Lambda-[Ru(Tap)2(Dppz-10,12-Me)]2+ Bound to D(Tcggcgccga)

Protein crystallography data

The structure of Lambda-[Ru(Tap)2(Dppz-10,12-Me)]2+ Bound to D(Tcggcgccga), PDB code: 4x1a 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) 17.05 / 0.89
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 42.250, 42.250, 39.550, 90.00, 90.00, 90.00
R / Rfree (%) 9.6 / 10.6

Other elements in 4x1a:

The structure of Lambda-[Ru(Tap)2(Dppz-10,12-Me)]2+ Bound to D(Tcggcgccga) also contains other interesting chemical elements:

Ruthenium (Ru) 1 atom

Barium Binding Sites:

The binding sites of Barium atom in the Lambda-[Ru(Tap)2(Dppz-10,12-Me)]2+ Bound to D(Tcggcgccga) (pdb code 4x1a). This binding sites where shown within 5.0 Angstroms radius around Barium atom.
In total only one binding site of Barium was determined in the Lambda-[Ru(Tap)2(Dppz-10,12-Me)]2+ Bound to D(Tcggcgccga), PDB code: 4x1a:

Barium binding site 1 out of 1 in 4x1a

Go back to Barium Binding Sites List in 4x1a
Barium binding site 1 out of 1 in the Lambda-[Ru(Tap)2(Dppz-10,12-Me)]2+ Bound to D(Tcggcgccga)


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of Lambda-[Ru(Tap)2(Dppz-10,12-Me)]2+ Bound to D(Tcggcgccga) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba102

b:8.8
occ:1.00
O A:HOH208 2.8 10.8 1.0
O A:HOH233 2.8 15.0 0.5
O A:HOH264 2.8 10.8 1.0
O A:HOH263 2.8 9.8 1.0
O A:HOH256 2.8 16.2 1.0
O A:HOH224 2.8 12.1 1.0
O6 A:DG4 2.8 9.1 1.0
O A:HOH233 2.8 10.5 0.5
N7 A:DG3 3.0 8.5 1.0
N7 A:DG4 3.1 9.4 1.0
C6 A:DG4 3.6 8.7 1.0
H8 A:DG3 3.6 9.0 1.0
C8 A:DG3 3.6 8.8 1.0
C5 A:DG4 3.7 8.9 1.0
C5 A:DG3 4.1 8.2 1.0
C8 A:DG4 4.3 9.6 1.0
O6 A:DG3 4.4 9.1 1.0
H2' A:DC2 4.5 9.9 1.0
OP2 A:DG3 4.6 10.3 1.0
H8 A:DG4 4.6 9.7 1.0
O A:HOH251 4.7 18.8 1.0
C6 A:DG3 4.7 8.6 1.0
O A:HOH283 4.8 28.1 1.0
N1 A:DG4 4.9 8.5 1.0
O A:HOH286 5.0 62.5 1.0
N9 A:DG3 5.0 8.2 1.0
C4 A:DG4 5.0 8.6 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: Sat Dec 12 01:57:09 2020

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