Magnesium in PDB 6wst: Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J16 Immobile Holliday Junction

The structure of Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J16 Immobile Holliday Junction, PDB code: 6wst 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)	30.06 / 3.06
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	68.988, 68.988, 61.305, 90, 90, 120
R / Rfree (%)	21.3 / 26.3

The structure of Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J16 Immobile Holliday Junction also contains other interesting chemical elements:

Arsenic

(As)

1 atom

The binding sites of Magnesium atom in the Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J16 Immobile Holliday Junction (pdb code 6wst). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J16 Immobile Holliday Junction, PDB code: 6wst:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J16 Immobile Holliday Junction


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J16 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:102.6 occ:1.00 N4 A:DC4 3.4 125.2 1.0 N7 A:DG3 3.5 126.0 1.0 O6 A:DG3 3.7 128.3 1.0 O6 D:DG15 3.9 124.7 1.0 N7 A:DA2 4.2 129.1 1.0 C5 A:DG3 4.2 126.4 1.0 C6 A:DG3 4.3 127.6 1.0 C5 A:DA2 4.4 128.2 1.0 C8 A:DG3 4.5 126.3 1.0 C4 A:DC4 4.6 126.0 1.0 C8 A:DA2 4.6 129.6 1.0 C6 A:DA2 4.8 128.2 1.0 N6 A:DA2 4.9 128.8 1.0 C7 D:DT14 5.0 101.5 1.0

Magnesium binding site 2 out of 2 in the Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J16 Immobile Holliday Junction


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J16 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg102 b:75.3 occ:1.00 N7 B:DA5 4.6 63.7 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.