Magnesium in PDB 2b0k: Crystal Structure of the DB921-D(Cgcgaattcgcg)2 Complex.

The structure of Crystal Structure of the DB921-D(Cgcgaattcgcg)2 Complex., PDB code: 2b0k was solved by Y.Miao, M.P.Lee, G.N.Parkinson, A.Batista-Parra, M.A.Ismail, S.Neidle, D.W.Boykin, W.D.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 1.64
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.288, 40.068, 65.989, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 30

The binding sites of Magnesium atom in the Crystal Structure of the DB921-D(Cgcgaattcgcg)2 Complex. (pdb code 2b0k). 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 the DB921-D(Cgcgaattcgcg)2 Complex., PDB code: 2b0k:

Magnesium binding site 1 out of 1 in the Crystal Structure of the DB921-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 the DB921-D(Cgcgaattcgcg)2 Complex. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg26 b:20.9 occ:1.00 O B:HOH103 2.1 23.7 1.0 O A:HOH108 2.1 19.6 1.0 O B:HOH107 2.1 19.7 1.0 O A:HOH105 2.1 20.0 1.0 O B:HOH106 2.1 18.7 1.0 O A:HOH104 2.1 20.4 1.0 O B:HOH32 4.1 21.8 1.0 O6 B:DG22 4.1 18.1 1.0 O B:HOH28 4.1 18.7 1.0 O A:HOH43 4.3 29.4 1.0 O A:HOH34 4.3 22.9 1.0 O B:HOH46 4.3 29.5 1.0 C5 A:DC1 4.3 19.5 1.0 O6 A:DG2 4.5 15.4 1.0 N7 A:DG2 4.6 17.6 1.0 C6 A:DC1 4.8 21.8 1.0

Y.Miao, M.P.Lee, G.N.Parkinson, A.Batista-Parra, M.A.Ismail, S.Neidle, D.W.Boykin, W.D.Wilson. Out-of-Shape Dna Minor Groove Binders: Induced Fit Interactions of Heterocyclic Dications with the Dna Minor Groove. Biochemistry V. 44 14701 2005.
ISSN: ISSN 0006-2960
PubMed: 16274217
DOI: 10.1021/BI051791Q