Magnesium in PDB 1fms: Structure of Complex Between Cyclohexyl-Bis-Furamidine and D(Cgcgaattcgcg)

The structure of Structure of Complex Between Cyclohexyl-Bis-Furamidine and D(Cgcgaattcgcg), PDB code: 1fms 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)	10.00 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	25.567, 40.236, 65.567, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 28

The binding sites of Magnesium atom in the Structure of Complex Between Cyclohexyl-Bis-Furamidine and D(Cgcgaattcgcg) (pdb code 1fms). 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 Structure of Complex Between Cyclohexyl-Bis-Furamidine and D(Cgcgaattcgcg), PDB code: 1fms:

Magnesium binding site 1 out of 1 in the Structure of Complex Between Cyclohexyl-Bis-Furamidine and D(Cgcgaattcgcg)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Complex Between Cyclohexyl-Bis-Furamidine and D(Cgcgaattcgcg) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg26 b:23.4 occ:1.00 O A:HOH224 2.0 30.7 1.0 O A:HOH223 2.0 26.5 1.0 O A:HOH221 2.0 19.6 1.0 O A:HOH222 2.0 28.4 1.0 O A:HOH226 2.0 24.8 1.0 O A:HOH225 2.0 20.6 1.0 O A:HOH91 4.0 32.1 1.0 O A:HOH38 4.0 22.4 1.0 O A:HOH35 4.1 32.6 1.0 OP1 A:DA6 4.2 23.1 1.0 O A:HOH30 4.3 28.9 1.0 O A:HOH28 4.3 34.6 1.0 O A:HOH46 4.4 28.8 1.0 OP2 A:DT7 4.4 29.7 1.0 O5' A:DA6 4.6 25.6 1.0 P A:DA6 4.7 28.0 1.0 OP2 A:DA6 4.7 23.1 1.0 C3' A:DA6 4.8 20.4 1.0 O A:HOH52 4.9 46.1 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