Arsenic in PDB 5kek: Structure Determination of A Self-Assembling Dna Crystal

The structure of Structure Determination of A Self-Assembling Dna Crystal, PDB code: 5kek was solved by C.R.Simmons, J.J.Birktoft, N.C.Seeman, H.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.47 / 3.10
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.926, 67.926, 59.262, 90.00, 90.00, 120.00
R / Rfree (%)	20.5 / 26

The binding sites of Arsenic atom in the Structure Determination of A Self-Assembling Dna Crystal (pdb code 5kek). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Structure Determination of A Self-Assembling Dna Crystal, PDB code: 5kek:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Structure Determination of A Self-Assembling Dna Crystal


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure Determination of A Self-Assembling Dna Crystal within 5.0Å range: probe atom residue distance (Å) B Occ C:As101 b:0.0 occ:0.75 OP1 C:DT9 3.4 59.0 1.0 C5' C:DT9 4.5 48.3 1.0 P C:DT9 4.8 68.6 1.0

Arsenic binding site 2 out of 2 in the Structure Determination of A Self-Assembling Dna Crystal


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structure Determination of A Self-Assembling Dna Crystal within 5.0Å range: probe atom residue distance (Å) B Occ D:As101 b:0.9 occ:0.75 N7 D:DG11 3.2 59.8 1.0 C8 D:DG11 3.9 64.1 1.0 C5 D:DG11 4.2 64.5 1.0 O4 D:DT12 4.4 69.1 1.0 O6 D:DG11 4.4 71.3 1.0 C6 D:DG11 4.7 70.1 1.0 C7 D:DT12 4.8 67.8 1.0 N7 D:DG10 5.0 58.6 1.0

C.R.Simmons, F.Zhang, J.J.Birktoft, X.Qi, D.Han, Y.Liu, R.Sha, H.O.Abdallah, C.Hernandez, Y.P.Ohayon, N.C.Seeman, H.Yan. Construction and Structure Determination of A Three-Dimensional Dna Crystal. J.Am.Chem.Soc. V. 138 10047 2016.
ISSN: ESSN 1520-5126
PubMed: 27447429
DOI: 10.1021/JACS.6B06508