Magnesium in PDB 6wsr: Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J10 Immobile Holliday Junction

The structure of Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J10 Immobile Holliday Junction, PDB code: 6wsr 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)	34.45 / 2.85
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	68.908, 68.908, 62.094, 90, 90, 120
R / Rfree (%)	23.4 / 24.5

The binding sites of Magnesium atom in the Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J10 Immobile Holliday Junction (pdb code 6wsr). 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 J10 Immobile Holliday Junction, PDB code: 6wsr:
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 J10 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 J10 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:71.4 occ:1.00 O6 B:DG2 3.7 56.5 1.0 N7 B:DG1 4.2 49.9 1.0 N7 B:DG2 4.3 61.6 1.0 O6 B:DG1 4.6 64.9 1.0 C6 B:DG2 4.6 57.6 1.0 C5 B:DG1 4.8 56.7 1.0 C5 B:DG2 4.8 58.0 1.0 C6 B:DG1 5.0 66.2 1.0 C8 B:DG1 5.0 56.1 1.0

Magnesium binding site 2 out of 2 in the Self-Assembly of A 3D Dna Crystal Lattice (4X5 Duplex Version) Containing the J10 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 J10 Immobile Holliday Junction within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg101 b:86.8 occ:1.00 OP2 C:DG8 3.0 95.9 1.0 C8 C:DG8 3.9 73.4 1.0 P C:DG8 4.0 93.4 1.0 C2' C:DG8 4.2 78.3 1.0 OP1 C:DG8 4.3 88.5 1.0 O5' C:DG8 4.3 74.7 1.0 N7 C:DG8 4.6 71.9 1.0 N7 C:DG9 4.7 63.2 1.0 C8 C:DG9 4.8 66.9 1.0 N9 C:DG8 4.9 70.4 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.