Atomistry » Barium » PDB 4x1a-5wkx » 5nbe
Atomistry »
  Barium »
    PDB 4x1a-5wkx »
      5nbe »

Barium in PDB 5nbe: [Ru(Tap)2(Dppz-11-Cn)]2+ Bound to D(Tcggcgccga)2

Protein crystallography data

The structure of [Ru(Tap)2(Dppz-11-Cn)]2+ Bound to D(Tcggcgccga)2, PDB code: 5nbe was solved by K.T.Mcquaid, 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) 24.89 / 1.51
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 47.880, 47.880, 29.140, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 19

Other elements in 5nbe:

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

Ruthenium (Ru) 2 atoms

Barium Binding Sites:

The binding sites of Barium atom in the [Ru(Tap)2(Dppz-11-Cn)]2+ Bound to D(Tcggcgccga)2 (pdb code 5nbe). 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 [Ru(Tap)2(Dppz-11-Cn)]2+ Bound to D(Tcggcgccga)2, PDB code: 5nbe:

Barium binding site 1 out of 1 in 5nbe

Go back to Barium Binding Sites List in 5nbe
Barium binding site 1 out of 1 in the [Ru(Tap)2(Dppz-11-Cn)]2+ Bound to D(Tcggcgccga)2


Mono view


Stereo pair view

A full contact list of Barium with other atoms in the Ba binding site number 1 of [Ru(Tap)2(Dppz-11-Cn)]2+ Bound to D(Tcggcgccga)2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ba102

b:23.9
occ:1.00
O A:HOH264 2.6 31.3 1.0
O A:HOH218 2.6 24.3 1.0
O A:HOH241 2.7 48.0 1.0
O A:HOH230 2.8 23.4 1.0
O6 A:DG4 2.8 20.2 1.0
N7 A:DG3 2.9 19.9 1.0
O A:HOH212 2.9 33.0 1.0
N7 A:DG4 3.3 20.4 1.0
C8 A:DG3 3.6 20.0 1.0
C6 A:DG4 3.6 19.1 1.0
C5 A:DG4 3.8 19.2 1.0
C5 A:DG3 4.0 18.9 1.0
O6 A:DG3 4.4 17.9 1.0
C8 A:DG4 4.5 20.9 1.0
C6 A:DG3 4.6 19.4 1.0
OP2 A:DG3 4.7 21.1 1.0
O A:HOH201 4.8 39.5 1.0
N9 A:DG3 4.9 20.4 1.0
N1 A:DG4 4.9 18.6 1.0
O A:HOH263 5.0 44.2 1.0
O A:HOH229 5.0 33.9 1.0

Reference:

K.Mcquaid, J.P.Hall, J.A.Brazier, D.J.Cardin, C.J.Cardin. X-Ray Crystal Structures Show Dna Stacking Advantage of Terminal Nitrile Substitution in Ru-Dppz Complexes. Chemistry V. 24 15859 2018.
ISSN: ISSN 0947-6539
PubMed: 30063271
DOI: 10.1002/CHEM.201803021
Page generated: Sat Dec 12 01:57:41 2020

Last articles

Zn in 7RE3
Zn in 7RDX
Zn in 7RDZ
Zn in 7RWM
Zn in 7PGU
Zn in 7PGR
Zn in 7PGT
Zn in 7PGS
Zn in 7SQE
Zn in 7RWK
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy