Arsenic in PDB 6xna: Self-Assembly of A 3D Dna Crystal Lattice (4X6 Junction Version) Containing the J1 Immobile Holliday Junction

The structure of Self-Assembly of A 3D Dna Crystal Lattice (4X6 Junction Version) Containing the J1 Immobile Holliday Junction, PDB code: 6xna 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)	34.22 / 3.05
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	68.444, 68.444, 55.682, 90, 90, 120
R / Rfree (%)	20.2 / 23.4

The binding sites of Arsenic atom in the Self-Assembly of A 3D Dna Crystal Lattice (4X6 Junction Version) Containing the J1 Immobile Holliday Junction (pdb code 6xna). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the Self-Assembly of A 3D Dna Crystal Lattice (4X6 Junction Version) Containing the J1 Immobile Holliday Junction, PDB code: 6xna:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in the Self-Assembly of A 3D Dna Crystal Lattice (4X6 Junction Version) Containing the J1 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 (4X6 Junction Version) Containing the J1 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ B:As101 b:126.5 occ:1.00 H41 C:DC3 4.0 67.6 1.0 O6 B:DG14 4.1 64.0 1.0 N7 B:DG13 4.3 53.3 1.0 O6 B:DG13 4.4 66.6 1.0 H42 C:DC3 4.4 67.6 1.0 N4 C:DC3 4.6 56.3 1.0 H5 B:DC12 4.8 66.4 1.0 C5 B:DC12 5.0 55.3 1.0

Arsenic binding site 2 out of 4 in the Self-Assembly of A 3D Dna Crystal Lattice (4X6 Junction Version) Containing the J1 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 (4X6 Junction Version) Containing the J1 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ C:As101 b:178.4 occ:1.00 O2 C:DT0 3.5 83.9 1.0 H1' C:DT0 4.1 80.1 1.0 H5'' C:DC1 4.1 82.9 1.0 H4' C:DC1 4.2 88.8 1.0 O4' C:DC1 4.3 73.9 1.0 C2 C:DT0 4.6 74.9 1.0 C4' C:DC1 4.6 74.0 1.0 C5' C:DC1 4.8 69.0 1.0 C1' C:DT0 5.0 66.7 1.0

Arsenic binding site 3 out of 4 in the Self-Assembly of A 3D Dna Crystal Lattice (4X6 Junction Version) Containing the J1 Immobile Holliday Junction


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Self-Assembly of A 3D Dna Crystal Lattice (4X6 Junction Version) Containing the J1 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ D:As101 b:151.9 occ:1.00 OP2 D:DG10 3.8 50.5 1.0 N7 D:DG10 3.9 55.1 1.0 H5'' D:DT9 4.1 63.0 1.0 OP1 D:DT9 4.3 58.7 1.0 N7 D:DG11 4.3 52.3 1.0 H5' D:DT9 4.3 63.0 1.0 C8 D:DG10 4.6 56.4 1.0 H8 D:DG10 4.6 67.7 1.0 C5' D:DT9 4.7 52.5 1.0 C5 D:DG10 4.7 51.6 1.0 O6 D:DG10 4.9 60.4 1.0 O6 D:DG11 4.9 52.9 1.0

Arsenic binding site 4 out of 4 in the Self-Assembly of A 3D Dna Crystal Lattice (4X6 Junction Version) Containing the J1 Immobile Holliday Junction


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Self-Assembly of A 3D Dna Crystal Lattice (4X6 Junction Version) Containing the J1 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ D:As102 b:190.0 occ:1.00 O2 D:DT4 3.4 70.8 1.0 H2 B:DA20 3.4 103.0 1.0 O4' D:DG5 4.0 92.7 1.0 C2 B:DA20 4.2 85.9 1.0 H1' D:DT4 4.2 108.5 1.0 H4' D:DG5 4.3 121.7 1.0 H5' D:DG5 4.3 122.3 1.0 H5'' D:DG5 4.4 122.3 1.0 C4' D:DG5 4.6 101.4 1.0 C2 D:DT4 4.6 75.1 1.0 C5' D:DG5 4.7 101.9 1.0 N1 B:DA20 4.8 73.2 1.0 N3 B:DA20 4.9 81.0 1.0 N3 D:DG5 4.9 63.2 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.