Magnesium in PDB 4r47: Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P21/N)

The structure of Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P21/N), PDB code: 4r47 was solved by P.K.Mandal, G.W.Collie, B.Kauffmann, I.Huc, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.28 / 1.85
Space group	P 1 21/n 1
Cell size a, b, c (Å), α, β, γ (°)	28.500, 47.300, 46.800, 90.00, 97.02, 90.00
R / Rfree (%)	28.3 / 30.4

The structure of Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P21/N) also contains other interesting chemical elements:

Potassium

(K)

5 atoms

The binding sites of Magnesium atom in the Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P21/N) (pdb code 4r47). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P21/N), PDB code: 4r47:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P21/N)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P21/N) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1105 b:37.4 occ:0.50 O A:HOH1225 2.2 23.6 1.0 O A:HOH1235 2.3 16.3 1.0 O A:HOH1248 2.4 20.7 1.0 O B:HOH2229 4.1 26.6 1.0 OP2 A:DG1010 4.2 15.4 1.0 OP2 B:DG2011 4.2 18.9 1.0 O B:HOH2252 4.8 19.3 1.0 C3' A:DG1009 4.8 11.1 1.0 O B:HOH2218 4.9 13.2 1.0 OP1 B:DG2011 5.0 18.7 1.0

Magnesium binding site 2 out of 3 in the Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P21/N)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P21/N) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1106 b:28.9 occ:1.00 O A:HOH1206 1.9 17.7 1.0 O A:HOH1234 2.4 44.8 1.0 O A:HOH1224 2.5 21.7 1.0 O A:HOH1246 4.0 42.5 1.0 OP1 A:DG1002 4.5 6.7 1.0 O A:HOH1250 4.7 24.0 1.0 OP1 A:DG1003 4.7 11.2 1.0 O A:HOH1207 4.8 14.4 1.0

Magnesium binding site 3 out of 3 in the Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P21/N)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P21/N) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2102 b:27.9 occ:1.00 O B:HOH2210 2.3 14.2 1.0 O B:HOH2243 2.3 14.6 1.0 O B:HOH2236 2.5 28.9 1.0 O B:HOH2212 4.0 21.4 1.0 OP2 B:DT2008 4.3 8.0 1.0 O B:HOH2239 4.5 25.5 1.0 O B:HOH2201 4.5 9.0 1.0

P.K.Mandal, G.W.Collie, B.Kauffmann, I.Huc. Racemic Dna Crystallography. Angew.Chem.Int.Ed.Engl. 2014.
ISSN: ESSN 1521-3773
PubMed: 25358289
DOI: 10.1002/ANIE.201409014