Arsenic in PDB 6wr9: Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J32 Immobile Holliday Junction

The structure of Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J32 Immobile Holliday Junction, PDB code: 6wr9 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)	34.49 / 3.07
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	68.988, 68.988, 60.793, 90, 90, 120
R / Rfree (%)	22.3 / 24.6

The structure of Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J32 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 J32 Immobile Holliday Junction (pdb code 6wr9). 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 J32 Immobile Holliday Junction, PDB code: 6wr9:
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 J32 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 J32 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ C:As101 b:172.8 occ:1.00 N7 C:DG9 4.2 66.3 1.0 C7 B:DT1 4.4 67.8 1.0 O4 B:DT1 4.4 76.5 1.0 O6 C:DG9 4.5 74.2 1.0 N7 C:DG8 4.8 65.8 1.0

Arsenic binding site 2 out of 2 in the Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J32 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 J32 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ D:As101 b:124.9 occ:1.00 N7 D:DG11 4.1 94.9 1.0 O6 D:DG11 4.4 104.3 1.0 OP2 D:DA10 4.8 72.8 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.