Magnesium in PDB 8k0w: Crystal Structure of Theophylline Dna Aptamer Bound to Theophylline, Soaked in Selenourea

The structure of Crystal Structure of Theophylline Dna Aptamer Bound to Theophylline, Soaked in Selenourea, PDB code: 8k0w 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)	25.06 / 1.42
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	50.117, 50.117, 50.81, 90, 90, 120
R / Rfree (%)	20.8 / 22.2

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

Sodium

(Na)

5 atoms

The binding sites of Magnesium atom in the Crystal Structure of Theophylline Dna Aptamer Bound to Theophylline, Soaked in Selenourea (pdb code 8k0w). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Theophylline Dna Aptamer Bound to Theophylline, Soaked in Selenourea, PDB code: 8k0w:

Magnesium binding site 1 out of 1 in the Crystal Structure of Theophylline Dna Aptamer Bound to Theophylline, Soaked in Selenourea


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Theophylline Dna Aptamer Bound to Theophylline, Soaked in Selenourea within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg107 b:21.2 occ:1.00 O A:HOH274 2.0 22.4 1.0 O A:HOH212 2.0 25.0 1.0 O A:HOH214 2.1 22.2 1.0 O A:HOH232 2.1 20.5 1.0 O A:HOH275 2.1 25.5 1.0 O A:HOH278 2.2 23.6 1.0 O A:HOH234 4.1 19.1 1.0 O6 A:DG21 4.1 15.9 1.0 N3 A:DA17 4.1 17.1 1.0 N7 A:DG21 4.1 19.7 1.0 O4' A:DG18 4.1 17.9 1.0 O A:HOH235 4.3 27.3 1.0 O A:HOH219 4.3 27.5 1.0 O A:HOH233 4.4 25.8 1.0 O A:HOH247 4.4 22.0 1.0 O A:HOH271 4.5 32.4 1.0 C2 A:DA17 4.5 16.8 1.0 C4' A:DG18 4.6 17.8 1.0 O A:HOH237 4.7 21.1 1.0 C6 A:DG21 4.9 15.8 1.0 C5 A:DG21 4.9 17.2 1.0 O4' A:DA17 4.9 18.7 1.0 C5' A:DG18 4.9 22.4 1.0 N3 A:DG18 4.9 16.3 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