Magnesium in PDB 1m6f: Strong Binding in the Dna Minor Groove By An Aromatic Diamidine with A Shape That Does Not Match the Curvature of the Groove

The structure of Strong Binding in the Dna Minor Groove By An Aromatic Diamidine with A Shape That Does Not Match the Curvature of the Groove, PDB code: 1m6f was solved by B.Nguyen, M.P.H.Lee, D.Hamelberg, A.Joubert, C.Bailly, R.Brun, S.Neidle, W.D.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.098, 39.821, 65.620, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 27.7

The binding sites of Magnesium atom in the Strong Binding in the Dna Minor Groove By An Aromatic Diamidine with A Shape That Does Not Match the Curvature of the Groove (pdb code 1m6f). 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 Strong Binding in the Dna Minor Groove By An Aromatic Diamidine with A Shape That Does Not Match the Curvature of the Groove, PDB code: 1m6f:

Magnesium binding site 1 out of 1 in the Strong Binding in the Dna Minor Groove By An Aromatic Diamidine with A Shape That Does Not Match the Curvature of the Groove


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Strong Binding in the Dna Minor Groove By An Aromatic Diamidine with A Shape That Does Not Match the Curvature of the Groove within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg4026 b:21.4 occ:1.00 O A:HOH8113 2.0 25.0 1.0 O B:HOH8112 2.0 22.4 1.0 O A:HOH8115 2.0 21.4 1.0 O A:HOH8116 2.0 19.4 1.0 O A:HOH8117 2.0 25.4 1.0 O A:HOH8114 2.0 20.8 1.0 O A:HOH8013 4.1 24.9 1.0 O6 B:DG2022 4.1 20.4 1.0 O A:HOH8016 4.1 22.7 1.0 O A:HOH8060 4.2 32.0 1.0 O B:HOH8005 4.2 21.6 1.0 O B:HOH8008 4.2 23.8 1.0 C5 A:DC1001 4.2 18.3 1.0 O A:HOH8009 4.4 23.8 1.0 N7 A:DG1002 4.4 19.4 1.0 O6 A:DG1002 4.5 16.9 1.0 C6 A:DC1001 4.7 18.6 1.0

B.Nguyen, M.P.H.Lee, D.Hamelberg, A.Joubert, C.Bailly, R.Brun, S.Neidle, W.D.Wilson. Strong Binding in the Dna Minor Groove By An Aromatic Diamidine with A Shape That Does Not Match the Curvature of the Groove J.Am.Chem.Soc. V. 124 13680 2002.
ISSN: ISSN 0002-7863
PubMed: 12431090
DOI: 10.1021/JA027953C