Arsenic in PDB 8taj: Sequence Specific (Aatt) Orientation of Netropsin Molecules at A Unique Minor Groove Binding Site (POSITION1) Within A Self-Assembled 3D Dna Lattice (4X6)

The structure of Sequence Specific (Aatt) Orientation of Netropsin Molecules at A Unique Minor Groove Binding Site (POSITION1) Within A Self-Assembled 3D Dna Lattice (4X6), PDB code: 8taj 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)	34.11 / 2.90
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	68.218, 68.218, 57.851, 90, 90, 120
R / Rfree (%)	22 / 24.1

The binding sites of Arsenic atom in the Sequence Specific (Aatt) Orientation of Netropsin Molecules at A Unique Minor Groove Binding Site (POSITION1) Within A Self-Assembled 3D Dna Lattice (4X6) (pdb code 8taj). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Sequence Specific (Aatt) Orientation of Netropsin Molecules at A Unique Minor Groove Binding Site (POSITION1) Within A Self-Assembled 3D Dna Lattice (4X6), PDB code: 8taj:

Arsenic binding site 1 out of 1 in the Sequence Specific (Aatt) Orientation of Netropsin Molecules at A Unique Minor Groove Binding Site (POSITION1) Within A Self-Assembled 3D Dna Lattice (4X6)


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) Orientation of Netropsin Molecules at A Unique Minor Groove Binding Site (POSITION1) Within A Self-Assembled 3D Dna Lattice (4X6) within 5.0Å range: probe atom residue distance (Å) B Occ A:As101 b:204.4 occ:1.00 N4 A:DC13 4.1 73.6 1.0 C5 A:DC13 4.8 76.6 1.0 C4 A:DC13 4.9 71.7 1.0 N4 B:DC1 4.9 58.4 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