Magnesium in PDB 2b3e: Crystal Structure of DB819-D(Cgcgaattcgcg)2 Complex.

The structure of Crystal Structure of DB819-D(Cgcgaattcgcg)2 Complex., PDB code: 2b3e was solved by N.H.Campbell, D.A.Evans, M.P.Lee, G.N.Parkinson, S.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.36
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.196, 39.960, 65.525, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 25.4

The binding sites of Magnesium atom in the Crystal Structure of DB819-D(Cgcgaattcgcg)2 Complex. (pdb code 2b3e). 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 DB819-D(Cgcgaattcgcg)2 Complex., PDB code: 2b3e:

Magnesium binding site 1 out of 1 in the Crystal Structure of DB819-D(Cgcgaattcgcg)2 Complex.


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 DB819-D(Cgcgaattcgcg)2 Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg26 b:13.5 occ:1.00 O B:HOH128 2.1 13.3 1.0 O B:HOH131 2.1 16.0 1.0 O A:HOH130 2.1 14.3 1.0 O A:HOH132 2.1 16.9 1.0 O A:HOH129 2.1 15.0 1.0 O A:HOH133 2.1 14.9 1.0 O6 B:DG22 4.2 13.6 1.0 O B:HOH29 4.2 14.5 1.0 C5 A:DC1 4.2 13.8 1.0 O A:HOH30 4.2 22.5 1.0 O A:HOH37 4.3 19.2 1.0 O B:HOH27 4.3 16.3 1.0 N7 A:DG2 4.4 12.4 1.0 O6 A:DG2 4.5 14.3 1.0 C6 A:DC1 4.6 16.4 1.0 O A:HOH47 4.8 28.5 1.0 C4 A:DC1 4.9 16.9 1.0

N.H.Campbell, D.A.Evans, M.P.Lee, G.N.Parkinson, S.Neidle. Targeting the Dna Minor Groove with Fused Ring Dicationic Compounds: Comparison of in Silico Screening and A High-Resolution Crystal Structure. Bioorg.Med.Chem.Lett. V. 16 15 2006.
ISSN: ISSN 0960-894X
PubMed: 16263285
DOI: 10.1016/J.BMCL.2005.10.036