Magnesium in PDB 1vzk: A Thiophene Based Diamidine Forms A "Super" at Binding Minor Groove Agent

The structure of A Thiophene Based Diamidine Forms A "Super" at Binding Minor Groove Agent, PDB code: 1vzk was solved by S.Mallena, M.P.H.Lee, C.Bailly, S.Neidle, A.Kumar, 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 / 1.77
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	25.677, 39.921, 65.185, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 29.5

The binding sites of Magnesium atom in the A Thiophene Based Diamidine Forms A "Super" at Binding Minor Groove Agent (pdb code 1vzk). 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 A Thiophene Based Diamidine Forms A "Super" at Binding Minor Groove Agent, PDB code: 1vzk:

Magnesium binding site 1 out of 1 in the A Thiophene Based Diamidine Forms A "Super" at Binding Minor Groove Agent


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Thiophene Based Diamidine Forms A "Super" at Binding Minor Groove Agent within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1014 b:25.1 occ:1.00 O A:HOH2011 2.1 19.8 1.0 O A:HOH2009 2.1 23.2 1.0 O B:HOH2019 2.1 19.7 1.0 O A:HOH2003 4.0 24.4 1.0 O B:HOH2020 4.0 24.6 1.0 O6 B:DG22 4.2 19.9 1.0 O A:HOH2008 4.3 31.3 1.0 O B:HOH2017 4.4 21.7 1.0 O6 A:DG2 4.5 19.0 1.0 O A:HOH2002 4.5 26.6 1.0 N7 A:DG2 4.5 23.1 1.0 C5 A:DC1 4.5 15.2 1.0 C6 A:DC1 4.9 17.7 1.0

S.Mallena, M.P.H.Lee, C.Bailly, S.Neidle, A.Kumar, D.W.Boykin, W.D.Wilson. Thiophene-Based Diamidine Forms A "Super" at Binding Minor Groove Agent J.Am.Chem.Soc. V. 142 13659 2004.
ISSN: ISSN 0002-7863
PubMed: 15493923
DOI: 10.1021/JA048175M