Magnesium in PDB 7jke: Self-Assembly of A 3D Dna Crystal Lattice (4X6 Scramble Duplex Version) Containing the J2 Immobile Holliday Junction

The structure of Self-Assembly of A 3D Dna Crystal Lattice (4X6 Scramble Duplex Version) Containing the J2 Immobile Holliday Junction, PDB code: 7jke 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)	29.56 / 3.07
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	68.272, 68.272, 55.786, 90, 90, 120
R / Rfree (%)	25.2 / 27.5

The structure of Self-Assembly of A 3D Dna Crystal Lattice (4X6 Scramble Duplex Version) Containing the J2 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 (4X6 Scramble Duplex Version) Containing the J2 Immobile Holliday Junction (pdb code 7jke). 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 (4X6 Scramble Duplex Version) Containing the J2 Immobile Holliday Junction, PDB code: 7jke:
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 (4X6 Scramble Duplex Version) Containing the J2 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 (4X6 Scramble Duplex Version) Containing the J2 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg102 b:87.6 occ:1.00 OP1 A:DC13 3.1 107.3 1.0 P A:DC13 4.2 106.9 1.0 C5' A:DC13 4.3 100.3 1.0 C4' A:DC13 4.4 95.9 1.0 OP2 A:DC13 4.6 102.0 1.0 O5' A:DC13 4.8 99.7 1.0 O3' A:DC13 4.8 99.5 1.0 C3' A:DC13 5.0 95.9 1.0

Magnesium binding site 2 out of 2 in the Self-Assembly of A 3D Dna Crystal Lattice (4X6 Scramble Duplex Version) Containing the J2 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 (4X6 Scramble Duplex Version) Containing the J2 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:87.4 occ:1.00 N7 B:DG2 2.6 86.9 1.0 C5 B:DC1 3.1 87.5 1.0 C4 B:DC1 3.2 87.8 1.0 O6 B:DG2 3.2 88.0 1.0 C5 B:DG2 3.4 85.6 1.0 C6 B:DC1 3.5 81.8 1.0 N4 B:DC1 3.6 83.7 1.0 C6 B:DG2 3.6 86.4 1.0 C8 B:DG2 3.7 88.6 1.0 N3 B:DC1 3.7 89.4 1.0 N1 B:DC1 3.9 83.1 1.0 C2 B:DC1 4.0 91.5 1.0 C4 B:DG2 4.7 87.2 1.0 O4 B:DT3 4.7 82.2 1.0 N9 B:DG2 4.8 88.7 1.0 C2' B:DC1 4.8 81.6 1.0 N6 A:DA12 4.8 85.7 1.0 O2 B:DC1 4.9 93.2 1.0 N4 A:DC13 4.9 82.6 1.0 C1' B:DC1 5.0 78.6 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.