Magnesium in PDB 7kwk: Dna-DB1879 Complex: the Dna Sequence 5'-Cgcgaattcgcg-3' Presents A Binding Site For the Heterocyclic Small Molecule (DB1879).

The structure of Dna-DB1879 Complex: the Dna Sequence 5'-Cgcgaattcgcg-3' Presents A Binding Site For the Heterocyclic Small Molecule (DB1879)., PDB code: 7kwk was solved by E.Ogbonna, Z.Fang, D.W.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.05 / 1.37
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	25.912, 39.945, 65.143, 90, 90, 90
R / Rfree (%)	22.1 / 26.4

The binding sites of Magnesium atom in the Dna-DB1879 Complex: the Dna Sequence 5'-Cgcgaattcgcg-3' Presents A Binding Site For the Heterocyclic Small Molecule (DB1879). (pdb code 7kwk). 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 Dna-DB1879 Complex: the Dna Sequence 5'-Cgcgaattcgcg-3' Presents A Binding Site For the Heterocyclic Small Molecule (DB1879)., PDB code: 7kwk:

Magnesium binding site 1 out of 1 in the Dna-DB1879 Complex: the Dna Sequence 5'-Cgcgaattcgcg-3' Presents A Binding Site For the Heterocyclic Small Molecule (DB1879).


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Dna-DB1879 Complex: the Dna Sequence 5'-Cgcgaattcgcg-3' Presents A Binding Site For the Heterocyclic Small Molecule (DB1879). within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg102 b:11.0 occ:1.00 O B:HOH106 2.1 14.0 1.0 O A:HOH214 2.1 13.2 1.0 O A:HOH207 2.2 12.1 1.0 O B:HOH117 4.2 17.8 1.0 O A:HOH234 4.2 20.3 1.0 O6 B:DG22 4.3 8.8 1.0 O B:HOH121 4.4 13.9 1.0 O6 A:DG2 4.4 8.2 1.0 N7 A:DG2 4.4 8.6 1.0 C5 A:DC1 4.5 9.0 1.0 C6 A:DC1 4.8 9.3 1.0

S.Mallena, M.P.Lee, C.Bailly, S.Neidle, A.Kumar, D.W.Boykin, W.D.Wilson. Thiophene-Based Diamidine Forms A "Super" at Binding Minor Groove Agent. To Be Published.