Magnesium in PDB 1xvr: Echinomycin (Cgtacg)2 Complex

The structure of Echinomycin (Cgtacg)2 Complex, PDB code: 1xvr was solved by J.A.Cuesta-Seijo, G.M.Sheldrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.50 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	29.512, 62.616, 34.143, 90.00, 114.99, 90.00
R / Rfree (%)	18.9 / 23.5

The binding sites of Magnesium atom in the Echinomycin (Cgtacg)2 Complex (pdb code 1xvr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Echinomycin (Cgtacg)2 Complex, PDB code: 1xvr:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Echinomycin (Cgtacg)2 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Echinomycin (Cgtacg)2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:19.6 occ:0.50 O A:HOH2006 2.0 22.6 1.0 O A:HOH2005 2.0 22.3 1.0 O D:HOH2001 2.1 21.4 1.0 O A:HOH2001 3.8 36.4 1.0 N7 A:DG3 4.2 19.1 1.0 O C:HOH2007 4.2 32.0 1.0 N4 D:QUI0 4.3 16.5 1.0 O A:HOH2008 4.3 35.1 1.0 O6 A:DG3 4.5 18.3 1.0 C5 A:DG3 4.9 17.6 1.0

Magnesium binding site 2 out of 2 in the Echinomycin (Cgtacg)2 Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Echinomycin (Cgtacg)2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg211 b:23.4 occ:0.50 O C:HOH2002 2.0 20.3 1.0 O C:HOH2003 2.1 23.8 1.0 O E:HOH2001 2.2 23.0 1.0 O C:HOH2009 3.9 35.9 1.0 O A:HOH2011 4.2 45.7 1.0 N7 C:DG103 4.2 19.7 1.0 N4 E:QUI0 4.4 17.7 1.0 O A:HOH2010 4.4 36.5 1.0 O6 C:DG103 4.4 18.2 1.0 O C:HOH2006 4.6 33.1 1.0 C5 C:DG103 5.0 17.8 1.0

J.A.Cuesta-Seijo, G.M.Sheldrick. Structures of Complexes Between Echinomycin and Duplex Dna. Acta Crystallogr.,Sect.D V. 61 442 2005.
ISSN: ISSN 0907-4449
PubMed: 15805599
DOI: 10.1107/S090744490500137X