Magnesium in PDB 1ftd: 5'-D(*Cp*Gp*Cp*Gp*Ap*Ap*Tp*Tp*Cp*Gp*Cp*G)-3'-Symmetric Bis- Benzimidazole Complex

The structure of 5'-D(*Cp*Gp*Cp*Gp*Ap*Ap*Tp*Tp*Cp*Gp*Cp*G)-3'-Symmetric Bis- Benzimidazole Complex, PDB code: 1ftd was solved by J.Mann, A.Baron, Y.Opoku-Boahen, E.Johansson, G.Parkinson, L.R.Kelland, S.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	25.150, 39.940, 65.650, 90.00, 90.00, 90.00
R / Rfree (%)	24.2 / 29.2

The binding sites of Magnesium atom in the 5'-D(*Cp*Gp*Cp*Gp*Ap*Ap*Tp*Tp*Cp*Gp*Cp*G)-3'-Symmetric Bis- Benzimidazole Complex (pdb code 1ftd). 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 5'-D(*Cp*Gp*Cp*Gp*Ap*Ap*Tp*Tp*Cp*Gp*Cp*G)-3'-Symmetric Bis- Benzimidazole Complex, PDB code: 1ftd:

Magnesium binding site 1 out of 1 in the 5'-D(*Cp*Gp*Cp*Gp*Ap*Ap*Tp*Tp*Cp*Gp*Cp*G)-3'-Symmetric Bis- Benzimidazole Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 5'-D(*Cp*Gp*Cp*Gp*Ap*Ap*Tp*Tp*Cp*Gp*Cp*G)-3'-Symmetric Bis- Benzimidazole Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg26 b:23.6 occ:1.00 O A:HOH142 2.0 21.5 1.0 O A:HOH141 2.0 31.2 1.0 O A:HOH140 2.0 20.3 1.0 O A:HOH144 2.0 23.6 1.0 O A:HOH139 2.0 17.0 1.0 O A:HOH143 2.0 18.2 1.0 O A:HOH42 4.0 27.7 1.0 OP1 A:DA6 4.1 19.4 1.0 O A:HOH73 4.3 25.7 1.0 OP2 A:DT7 4.3 17.8 1.0 O A:HOH32 4.5 22.3 1.0 OP2 A:DA6 4.5 25.4 1.0 O A:HOH30 4.5 30.4 1.0 O5' A:DA6 4.6 16.6 1.0 P A:DA6 4.6 25.2 1.0 C3' A:DA6 4.8 15.1 1.0 O A:HOH41 4.9 24.2 1.0 O A:HOH98 4.9 35.1 1.0 O A:HOH54 5.0 34.0 1.0

J.Mann, A.Baron, Y.Opoku-Boahen, E.Johansson, G.Parkinson, L.R.Kelland, S.Neidle. A New Class of Symmetric Bisbenzimidazole-Based Dna Minor Groove-Binding Agents Showing Antitumor Activity. J.Med.Chem. V. 44 138 2001.
ISSN: ISSN 0022-2623
PubMed: 11170623
DOI: 10.1021/JM000297B