Arsenic in PDB 6wsp: Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J9 Immobile Holliday Junction

The structure of Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J9 Immobile Holliday Junction, PDB code: 6wsp 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)	34.37 / 3.05
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	68.731, 68.731, 60.829, 90, 90, 120
R / Rfree (%)	26.1 / 28.9

The structure of Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J9 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 Duplex Version) Containing the J9 Immobile Holliday Junction (pdb code 6wsp). 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 Duplex Version) Containing the J9 Immobile Holliday Junction, PDB code: 6wsp:
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 Duplex Version) Containing the J9 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 Duplex Version) Containing the J9 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ B:As101 b:101.3 occ:1.00 O6 B:DG2 3.7 79.0 1.0 N7 B:DG2 4.1 72.9 1.0 C6 B:DG2 4.5 75.7 1.0 OP1 B:DA1 4.6 89.4 1.0 C5 B:DG2 4.7 70.7 1.0 N7 B:DA1 4.8 64.0 1.0

Arsenic binding site 2 out of 2 in the Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J9 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 Duplex Version) Containing the J9 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ D:As101 b:173.9 occ:1.00 O6 D:DG11 4.9 91.5 1.0 N7 D:DG11 5.0 78.9 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.