Arsenic in PDB 7jp7: Self-Assembly of A 3D Dna Crystal Lattice (4X6 Duplex Version) Containing the J16 Immobile Holliday Junction

The structure of Self-Assembly of A 3D Dna Crystal Lattice (4X6 Duplex Version) Containing the J16 Immobile Holliday Junction, PDB code: 7jp7 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)	34.08 / 3.21
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	68.15, 68.15, 53.785, 90, 90, 120
R / Rfree (%)	24.2 / 26

The binding sites of Arsenic atom in the Self-Assembly of A 3D Dna Crystal Lattice (4X6 Duplex Version) Containing the J16 Immobile Holliday Junction (pdb code 7jp7). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 3 binding sites of Arsenic where determined in the Self-Assembly of A 3D Dna Crystal Lattice (4X6 Duplex Version) Containing the J16 Immobile Holliday Junction, PDB code: 7jp7:
Jump to Arsenic binding site number: 1; 2; 3;

Arsenic binding site 1 out of 3 in the Self-Assembly of A 3D Dna Crystal Lattice (4X6 Duplex Version) Containing the J16 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 Duplex Version) Containing the J16 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ A:As101 b:174.4 occ:1.00 H21 A:DG14 3.3 119.1 1.0 H4' A:DC15 3.8 164.0 1.0 O4' A:DC15 3.9 125.0 1.0 H21 B:DG2 4.0 136.4 1.0 H5' A:DC15 4.1 162.2 1.0 N3 A:DG14 4.1 105.5 1.0 N2 A:DG14 4.1 99.2 1.0 H1' A:DG14 4.2 149.8 1.0 C4' A:DC15 4.3 136.6 1.0 C2 A:DG14 4.5 98.2 1.0 H1' A:DC15 4.6 149.2 1.0 C5' A:DC15 4.7 135.1 1.0 N2 B:DG2 4.7 113.6 1.0 H22 A:DG14 4.7 119.1 1.0 C1' A:DC15 4.8 124.3 1.0 N3 B:DG2 4.9 88.4 1.0

Arsenic binding site 2 out of 3 in the Self-Assembly of A 3D Dna Crystal Lattice (4X6 Duplex Version) Containing the J16 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 Duplex Version) Containing the J16 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ A:As102 b:184.2 occ:1.00 H41 A:DC15 3.4 120.3 1.0 H42 A:DC15 3.7 120.3 1.0 O6 B:DG0 3.8 88.4 1.0 N4 A:DC15 3.9 100.2 1.0 O6 A:DG14 4.0 94.2 1.0 N7 A:DG14 4.4 81.8 1.0 C6 A:DG14 4.8 99.9 1.0 C5 A:DG14 4.9 102.7 1.0

Arsenic binding site 3 out of 3 in the Self-Assembly of A 3D Dna Crystal Lattice (4X6 Duplex Version) Containing the J16 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 Duplex Version) Containing the J16 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ D:As101 b:171.3 occ:1.00 H41 D:DC10 3.3 112.1 1.0 H5 D:DC10 3.4 112.2 1.0 N4 D:DC10 3.6 93.4 1.0 C5 D:DC10 3.7 93.4 1.0 C4 D:DC10 3.9 86.0 1.0 H42 D:DC10 4.1 112.1 1.0 N7 D:DG11 4.3 103.8 1.0 OP2 D:DC10 4.4 84.0 1.0 O6 D:DG11 4.4 117.4 1.0 C6 D:DC10 4.6 80.4 1.0 N3 D:DC10 4.8 69.5 1.0 H6 D:DC10 4.9 96.6 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.