Magnesium in PDB 3u08: Crystal Structure of DB1963-D(Cgcgaattcgcg)2 Complex at 1.25 A Resolution

The structure of Crystal Structure of DB1963-D(Cgcgaattcgcg)2 Complex at 1.25 A Resolution, PDB code: 3u08 was solved by D.G.Wei, S.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.33 / 1.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.070, 39.760, 65.700, 90.00, 90.00, 90.00
R / Rfree (%)	20.3 / 24.3

The binding sites of Magnesium atom in the Crystal Structure of DB1963-D(Cgcgaattcgcg)2 Complex at 1.25 A Resolution (pdb code 3u08). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of DB1963-D(Cgcgaattcgcg)2 Complex at 1.25 A Resolution, PDB code: 3u08:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of DB1963-D(Cgcgaattcgcg)2 Complex at 1.25 A Resolution


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 DB1963-D(Cgcgaattcgcg)2 Complex at 1.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg14 b:10.3 occ:1.00 O B:HOH4 2.0 12.2 1.0 O B:HOH84 2.1 11.5 1.0 O A:HOH85 2.1 11.2 1.0 O A:HOH83 2.1 10.3 1.0 O A:HOH18 2.1 11.1 1.0 O B:HOH10 4.1 14.3 1.0 O6 B:DG22 4.2 9.7 1.0 O A:HOH46 4.3 20.2 1.0 C5 A:DC1 4.3 12.1 1.0 O A:HOH16 4.3 19.0 1.0 O B:HOH2 4.3 12.6 1.0 N7 A:DG2 4.4 9.3 1.0 O6 A:DG2 4.5 9.5 1.0 C6 A:DC1 4.7 13.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of DB1963-D(Cgcgaattcgcg)2 Complex at 1.25 A Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of DB1963-D(Cgcgaattcgcg)2 Complex at 1.25 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg15 b:28.7 occ:1.00 O A:HOH81 2.1 23.3 1.0 O A:HOH54 2.2 18.6 1.0 O A:HOH64 2.3 32.7 1.0 O A:HOH107 2.7 36.2 1.0 O B:HOH106 3.8 37.9 1.0 O6 A:DG12 4.4 13.9 1.0 N4 B:DC13 4.5 11.8 1.0 O A:HOH29 4.5 24.0 1.0

D.Wei, W.D.Wilson, S.Neidle. Small-Molecule Binding to the Dna Minor Groove Is Mediated By A Conserved Water Cluster. J.Am.Chem.Soc. V. 135 1369 2013.
ISSN: ISSN 0002-7863
PubMed: 23276263
DOI: 10.1021/JA308952Y