Magnesium in PDB 1fmq: Cyclo-Butyl-Bis-Furamidine Complexed with Dcgcgaattcgcg

The structure of Cyclo-Butyl-Bis-Furamidine Complexed with Dcgcgaattcgcg, PDB code: 1fmq was solved by I.J.Simpson, M.Lee, A.Kumar, D.W.Boykin, 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 (°)	24.860, 40.710, 66.440, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 20.9

The binding sites of Magnesium atom in the Cyclo-Butyl-Bis-Furamidine Complexed with Dcgcgaattcgcg (pdb code 1fmq). 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 Cyclo-Butyl-Bis-Furamidine Complexed with Dcgcgaattcgcg, PDB code: 1fmq:

Magnesium binding site 1 out of 1 in the Cyclo-Butyl-Bis-Furamidine Complexed with Dcgcgaattcgcg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cyclo-Butyl-Bis-Furamidine Complexed with Dcgcgaattcgcg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg26 b:29.2 occ:1.00 O A:HOH38 1.9 30.3 1.0 O A:HOH128 2.0 17.8 1.0 O A:HOH133 2.0 19.6 1.0 O A:HOH131 2.0 16.3 1.0 O A:HOH129 2.0 22.9 1.0 O A:HOH130 2.0 25.5 1.0 O A:HOH132 2.0 14.2 1.0 OP1 A:DA6 4.0 33.0 1.0 O A:HOH35 4.1 46.4 1.0 O A:HOH49 4.3 27.8 1.0 OP2 A:DT7 4.7 24.2 1.0 P A:DA6 4.8 32.2 1.0 O A:HOH36 4.9 48.8 1.0 OP2 A:DA6 4.9 33.8 1.0

I.J.Simpson, M.Lee, A.Kumar, D.W.Boykin, S.Neidle. Dna Minor Groove Interactions and the Biological Activity of 2,5-Bis-[4-(N-Alkylamidino)Phenyl] Furans Bioorg.Med.Chem.Lett. V. 10 2593 2000.
ISSN: ISSN 0960-894X
PubMed: 11128631
DOI: 10.1016/S0960-894X(00)00511-4