Iodine in PDB 8k0t: Crystal Structure of Theophylline Dna Aptamer Bound to Theophylline

The structure of Crystal Structure of Theophylline Dna Aptamer Bound to Theophylline, PDB code: 8k0t was solved by Y.Huang, X.Lin, L.Huang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.37 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	62.747, 41.244, 34.157, 90, 113.32, 90
R / Rfree (%)	26.1 / 28.9

The structure of Crystal Structure of Theophylline Dna Aptamer Bound to Theophylline also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Potassium	(K)	1 atom

The binding sites of Iodine atom in the Crystal Structure of Theophylline Dna Aptamer Bound to Theophylline (pdb code 8k0t). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of Theophylline Dna Aptamer Bound to Theophylline, PDB code: 8k0t:

Iodine binding site 1 out of 1 in the Crystal Structure of Theophylline Dna Aptamer Bound to Theophylline


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Theophylline Dna Aptamer Bound to Theophylline within 5.0Å range: probe atom residue distance (Å) B Occ A:I103 b:64.6 occ:1.00 C5 A:DC2 2.9 66.4 1.0 N4 A:DC2 3.3 68.0 1.0 C4 A:DC2 3.5 68.7 1.0 C2' A:DG1 3.8 75.3 1.0 C6 A:DC2 3.9 69.5 1.0 C8 A:DG1 4.0 77.8 1.0 N9 A:DG1 4.1 85.4 1.0 N7 A:DG1 4.3 75.0 1.0 C1' A:DG1 4.5 75.6 1.0 C4 A:DG1 4.6 79.2 1.0 C5 A:DG1 4.7 76.1 1.0 N3 A:DC2 4.8 68.8 1.0

X.Lin, Y.Huang, J.Huang, H.Yuan, Y.Luo, Z.Lu, Y.Ao, J.Huang, S.B.Chen, Z.Miao, L.Huang. From Theophylline to Adenine or Preq 1 : Repurposing A Dna Aptamer Revealed By Crystal Structure Analysis. Angew.Chem.Int.Ed.Engl. 04107 2025.
ISSN: ESSN 1521-3773
PubMed: 40101171
DOI: 10.1002/ANIE.202504107