Cobalt in PDB 8tam: Sequence Specific (Aatt) Orientation of Hoechst Molecules at Two Unique Minor Groove Binding Sites Within A Self-Assembled 3D Dna Lattice (4X6)

The structure of Sequence Specific (Aatt) Orientation of Hoechst Molecules at Two Unique Minor Groove Binding Sites Within A Self-Assembled 3D Dna Lattice (4X6), PDB code: 8tam 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)	44.29 / 2.95
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	116.488, 116.488, 49.299, 90, 90, 120
R / Rfree (%)	22.1 / 23

The binding sites of Cobalt atom in the Sequence Specific (Aatt) Orientation of Hoechst Molecules at Two Unique Minor Groove Binding Sites Within A Self-Assembled 3D Dna Lattice (4X6) (pdb code 8tam). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Sequence Specific (Aatt) Orientation of Hoechst Molecules at Two Unique Minor Groove Binding Sites Within A Self-Assembled 3D Dna Lattice (4X6), PDB code: 8tam:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Sequence Specific (Aatt) Orientation of Hoechst Molecules at Two Unique Minor Groove Binding Sites Within A Self-Assembled 3D Dna Lattice (4X6)


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Sequence Specific (Aatt) Orientation of Hoechst Molecules at Two Unique Minor Groove Binding Sites Within A Self-Assembled 3D Dna Lattice (4X6) within 5.0Å range: probe atom residue distance (Å) B Occ A:Co102 b:113.1 occ:1.00 N7 A:DG14 2.5 68.7 1.0 O6 A:DG14 3.3 67.4 1.0 C5 A:DG14 3.3 63.3 1.0 C8 A:DG14 3.5 70.3 1.0 C6 A:DG14 3.7 66.8 1.0 O6 A:DG15 3.8 67.0 1.0 C6 A:DC13 4.5 70.0 1.0 C4 A:DG14 4.6 64.3 1.0 C6 A:DG15 4.6 67.2 1.0 C5 A:DC13 4.6 68.2 1.0 N9 A:DG14 4.6 67.6 1.0 C2' A:DC13 4.7 79.7 1.0 N7 A:DG15 4.8 63.8 1.0 N4 B:DC0 4.9 60.5 1.0 N1 A:DC13 5.0 67.8 1.0

Cobalt binding site 2 out of 2 in the Sequence Specific (Aatt) Orientation of Hoechst Molecules at Two Unique Minor Groove Binding Sites Within A Self-Assembled 3D Dna Lattice (4X6)


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Sequence Specific (Aatt) Orientation of Hoechst Molecules at Two Unique Minor Groove Binding Sites Within A Self-Assembled 3D Dna Lattice (4X6) within 5.0Å range: probe atom residue distance (Å) B Occ D:Co102 b:98.9 occ:1.00 N7 D:DG10 2.1 71.6 1.0 C5 D:DG10 3.0 67.5 1.0 O6 D:DG10 3.1 81.8 1.0 C8 D:DG10 3.2 71.9 1.0 C6 D:DG10 3.4 72.4 1.0 C4 D:DG10 4.2 67.6 1.0 N9 D:DG10 4.3 65.4 1.0 O6 D:DG11 4.4 76.3 1.0 N7 B:DA5 4.5 72.5 1.0 N1 D:DG10 4.8 71.6 1.0 C5 B:DA5 4.9 69.0 1.0 N7 D:DG11 5.0 76.8 1.0 N6 B:DA5 5.0 72.5 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