Arsenic in PDB 8tc6: Sequence Specific (Aatt and Tgtca) Orientation of Netropsin and Impypy Molecules at Two Unique Minor Groove Binding Sites Within A Self- Assembled 3D Dna Lattice (4X5)

The structure of Sequence Specific (Aatt and Tgtca) Orientation of Netropsin and Impypy Molecules at Two Unique Minor Groove Binding Sites Within A Self- Assembled 3D Dna Lattice (4X5), PDB code: 8tc6 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)	43.76 / 2.45
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.921, 67.921, 65.476, 90, 90, 120
R / Rfree (%)	27.2 / 29.4

The binding sites of Arsenic atom in the Sequence Specific (Aatt and Tgtca) Orientation of Netropsin and Impypy Molecules at Two Unique Minor Groove Binding Sites Within A Self- Assembled 3D Dna Lattice (4X5) (pdb code 8tc6). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Sequence Specific (Aatt and Tgtca) Orientation of Netropsin and Impypy Molecules at Two Unique Minor Groove Binding Sites Within A Self- Assembled 3D Dna Lattice (4X5), PDB code: 8tc6:
Jump to Arsenic binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Sequence Specific (Aatt and Tgtca) Orientation of Netropsin and Impypy Molecules at Two Unique Minor Groove Binding Sites Within A Self- Assembled 3D Dna Lattice (4X5) within 5.0Å range: probe atom residue distance (Å) B Occ B:As101 b:78.1 occ:1.00 N7 B:DG2 4.1 59.6 1.0 O6 B:DG2 4.1 62.6 1.0 O4 B:DT3 4.8 59.2 1.0 C6 B:DG2 4.8 55.6 1.0 C5 B:DG2 4.8 51.2 1.0

Arsenic binding site 2 out of 2 in the Sequence Specific (Aatt and Tgtca) Orientation of Netropsin and Impypy Molecules at Two Unique Minor Groove Binding Sites Within A Self- Assembled 3D Dna Lattice (4X5)


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Sequence Specific (Aatt and Tgtca) Orientation of Netropsin and Impypy Molecules at Two Unique Minor Groove Binding Sites Within A Self- Assembled 3D Dna Lattice (4X5) within 5.0Å range: probe atom residue distance (Å) B Occ D:As101 b:89.0 occ:1.00 O6 D:DG10 3.9 65.2 1.0 N7 D:DG10 4.3 56.7 1.0 N4 A:DC8 4.4 76.3 1.0 O6 D:DG11 4.7 75.6 1.0 C6 D:DG10 4.8 61.4 1.0 C5 D:DG10 4.9 59.7 1.0 N7 B:DA5 5.0 57.7 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