Magnesium in PDB 7qua: Duplex Rna Containing Xanthosine-Cytosine Base Pairs

The structure of Duplex Rna Containing Xanthosine-Cytosine Base Pairs, PDB code: 7qua was solved by E.Ennifar, R.Micura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.80 / 1.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	41.07, 35.15, 31.93, 90, 129.05, 90
R / Rfree (%)	13.7 / 15.8

The structure of Duplex Rna Containing Xanthosine-Cytosine Base Pairs also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Magnesium atom in the Duplex Rna Containing Xanthosine-Cytosine Base Pairs (pdb code 7qua). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Duplex Rna Containing Xanthosine-Cytosine Base Pairs, PDB code: 7qua:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Duplex Rna Containing Xanthosine-Cytosine Base Pairs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Duplex Rna Containing Xanthosine-Cytosine Base Pairs within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1103 b:22.8 occ:0.41 O A:HOH1285 2.0 37.8 0.7 O A:HOH1239 2.1 19.1 1.0 O A:HOH1303 2.2 33.4 0.6 H4' A:G1010 3.8 12.9 1.0 O A:HOH1269 4.0 31.2 0.9 O2' A:G1010 4.3 11.5 1.0 HO2' A:G1010 4.4 13.8 1.0 O A:HOH1210 4.6 25.8 1.0 C4' A:G1010 4.8 10.7 1.0

Magnesium binding site 2 out of 2 in the Duplex Rna Containing Xanthosine-Cytosine Base Pairs


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Duplex Rna Containing Xanthosine-Cytosine Base Pairs within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1104 b:33.5 occ:0.60 O A:HOH1224 1.8 14.6 0.7 O A:HOH1240 2.1 32.1 1.0 O A:HOH1304 2.3 33.2 1.0 O A:HOH1201 2.6 35.8 1.0 O A:HOH1277 3.0 30.0 1.0 N7 A:XMP1005 3.8 9.8 1.0 O A:HOH1260 3.8 19.1 1.0 O A:HOH1234 4.2 26.6 1.0 O3P A:XMP1005 4.4 12.4 1.0 O A:HOH1233 4.4 21.7 1.0 O6 A:XMP1005 4.5 9.2 1.0 H8 A:G1004 4.5 10.2 1.0 N7 A:G1004 4.6 8.2 1.0 H3' A:G1004 4.7 11.1 1.0 OP2 A:G1004 4.7 12.0 1.0 C8 A:G1004 4.7 8.6 1.0 C8 A:XMP1005 4.8 9.7 1.0 O A:HOH1238 4.8 55.6 1.0 C5 A:XMP1005 4.8 9.3 1.0 O A:HOH1255 4.9 20.3 1.0 H8 A:XMP1005 4.9 11.6 1.0

S.Mair, K.Erharter, E.Renard, K.Brillet, M.Brunner, A.Lusser, C.Kreutz, E.Ennifar, R.Micura. Synthesis and Properties of Xanthosine-Modified Rna To Be Published.