Magnesium in PDB 8tc4: Sequence Specific (Tgtca) Orientation of Impypy Molecules at A Unique Minor Groove Binding Site Within A Self-Assembled 3D Dna Lattice (4X5)

The structure of Sequence Specific (Tgtca) Orientation of Impypy Molecules at A Unique Minor Groove Binding Site Within A Self-Assembled 3D Dna Lattice (4X5), PDB code: 8tc4 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)	34.33 / 3.06
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	68.653, 68.653, 62.183, 90, 90, 120
R / Rfree (%)	22.9 / 25.4

The binding sites of Magnesium atom in the Sequence Specific (Tgtca) Orientation of Impypy Molecules at A Unique Minor Groove Binding Site Within A Self-Assembled 3D Dna Lattice (4X5) (pdb code 8tc4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Sequence Specific (Tgtca) Orientation of Impypy Molecules at A Unique Minor Groove Binding Site Within A Self-Assembled 3D Dna Lattice (4X5), PDB code: 8tc4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Sequence Specific (Tgtca) Orientation of Impypy Molecules at A Unique Minor Groove Binding Site Within A Self-Assembled 3D Dna Lattice (4X5)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Sequence Specific (Tgtca) Orientation of Impypy Molecules at A Unique Minor Groove Binding Site Within A Self-Assembled 3D Dna Lattice (4X5) within 5.0Å range:

Magnesium binding site 2 out of 2 in the Sequence Specific (Tgtca) Orientation of Impypy Molecules at A Unique Minor Groove Binding Site Within A Self-Assembled 3D Dna Lattice (4X5)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Sequence Specific (Tgtca) Orientation of Impypy Molecules at A Unique Minor Groove Binding Site Within A Self-Assembled 3D Dna Lattice (4X5) within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg101 b:81.9 occ:1.00 O6 D:DG10 3.5 112.2 1.0 N7 D:DG10 3.6 106.8 1.0 O6 D:DG11 3.9 123.9 1.0 C6 D:DG10 4.2 111.2 1.0 C5 D:DG10 4.2 105.8 1.0 C8 D:DG10 4.7 104.5 1.0 N4 A:DC8 4.8 124.0 1.0 C6 D:DG11 4.9 121.9 1.0

C.R.Simmons, A.Buchberger, S.J.W.Henry, A.Novacek, N.E.Fahmi, T.Macculloch, N.Stephanopoulos, H.Yan. Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional Dna Crystals. J.Am.Chem.Soc. V. 145 26075 2023.
ISSN: ESSN 1520-5126
PubMed: 37987645
DOI: 10.1021/JACS.3C07802