Arsenic in PDB 6xdx: Self-Assembly of A 3D Dna Crystal Lattice (4X5 Junction Version) Containing the J6 Immobile Holliday Junction

The structure of Self-Assembly of A 3D Dna Crystal Lattice (4X5 Junction Version) Containing the J6 Immobile Holliday Junction, PDB code: 6xdx was solved by C.R.Simmons, T.Macculloch, N.Stephanopoulos, H.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.78 / 2.90
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	68.848, 68.848, 59.374, 90, 90, 120
R / Rfree (%)	24.5 / 25.9

The structure of Self-Assembly of A 3D Dna Crystal Lattice (4X5 Junction Version) Containing the J6 Immobile Holliday Junction also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Arsenic atom in the Self-Assembly of A 3D Dna Crystal Lattice (4X5 Junction Version) Containing the J6 Immobile Holliday Junction (pdb code 6xdx). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Self-Assembly of A 3D Dna Crystal Lattice (4X5 Junction Version) Containing the J6 Immobile Holliday Junction, PDB code: 6xdx:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Self-Assembly of A 3D Dna Crystal Lattice (4X5 Junction Version) Containing the J6 Immobile Holliday Junction


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Self-Assembly of A 3D Dna Crystal Lattice (4X5 Junction Version) Containing the J6 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ C:As101 b:145.4 occ:1.00 OP2 C:DA3 4.1 76.5 1.0 N7 C:DG4 4.2 71.4 1.0 N7 C:DA3 4.2 65.7 1.0 O6 C:DG4 4.2 77.6 1.0 N6 C:DA3 4.6 70.7 1.0 OP1 C:DT2 4.6 77.1 1.0 C5 C:DA3 4.8 61.3 1.0 C5' C:DT2 4.9 77.4 1.0 C8 C:DA3 4.9 68.6 1.0 C5 C:DG4 4.9 65.3 1.0 C6 C:DG4 5.0 70.6 1.0

Arsenic binding site 2 out of 2 in the Self-Assembly of A 3D Dna Crystal Lattice (4X5 Junction Version) Containing the J6 Immobile Holliday Junction


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Self-Assembly of A 3D Dna Crystal Lattice (4X5 Junction Version) Containing the J6 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ D:As101 b:184.6 occ:1.00 OP1 D:DA9 4.2 90.0 1.0 C7 D:DT10 4.5 71.7 1.0 O6 D:DG11 4.6 83.8 1.0 N7 D:DG11 4.7 77.2 1.0 O4 D:DT10 4.7 65.4 1.0

C.R.Simmons, T.Macculloch, N.Stephanopoulos, H.Yan. Structural and Computational Based Approach For the Creation of A Toolbox of Immobile Holliday Junctions For Dna-Directed Self-Assembly To Be Published.