Magnesium in PDB 4mgw: Comparison of the Structural and Dynamic Effects of 5-Methylcytosine and 5-Chlorocytosine in A Cpg Dinucleotide Sequence

The structure of Comparison of the Structural and Dynamic Effects of 5-Methylcytosine and 5-Chlorocytosine in A Cpg Dinucleotide Sequence, PDB code: 4mgw was solved by J.A.Theruvathu, Y.Whitney, B.Montgomery Pettitt, L.C.Sowers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	9.99 / 1.93
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.629, 39.918, 65.364, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 26.3

The structure of Comparison of the Structural and Dynamic Effects of 5-Methylcytosine and 5-Chlorocytosine in A Cpg Dinucleotide Sequence also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Comparison of the Structural and Dynamic Effects of 5-Methylcytosine and 5-Chlorocytosine in A Cpg Dinucleotide Sequence (pdb code 4mgw). 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 Comparison of the Structural and Dynamic Effects of 5-Methylcytosine and 5-Chlorocytosine in A Cpg Dinucleotide Sequence, PDB code: 4mgw:

Magnesium binding site 1 out of 1 in the Comparison of the Structural and Dynamic Effects of 5-Methylcytosine and 5-Chlorocytosine in A Cpg Dinucleotide Sequence


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Comparison of the Structural and Dynamic Effects of 5-Methylcytosine and 5-Chlorocytosine in A Cpg Dinucleotide Sequence within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:32.6 occ:1.00 O A:HOH201 1.8 29.5 1.0 O B:HOH102 1.8 33.4 1.0 O B:HOH101 1.8 30.0 1.0 O A:HOH212 2.0 34.3 1.0 O B:HOH115 2.1 34.5 1.0 O A:HOH213 2.1 31.9 1.0 H5 A:DC1 3.9 38.9 1.0 O B:HOH108 4.1 37.2 1.0 O6 B:DG22 4.2 31.3 1.0 C5 A:DC1 4.3 32.4 1.0 O A:HOH210 4.4 35.0 1.0 N7 A:DG2 4.4 32.6 1.0 O B:HOH110 4.4 40.3 1.0 O6 A:DG2 4.5 32.5 1.0 O B:HOH118 4.5 35.8 1.0 H42 A:2GF3 4.5 37.4 1.0 H6 A:DC1 4.6 45.2 1.0 C6 A:DC1 4.7 37.7 1.0 H41 A:2GF3 4.8 37.4 1.0 H41 A:DC1 5.0 37.9 1.0 N4 A:2GF3 5.0 31.2 1.0

J.A.Theruvathu, Y.W.Yin, B.M.Pettitt, L.C.Sowers. Comparison of the Structural and Dynamic Effects of 5-Methylcytosine and 5-Chlorocytosine in A Cpg Dinucleotide Sequence. Biochemistry V. 52 8590 2013.
ISSN: ISSN 0006-2960
PubMed: 24147911
DOI: 10.1021/BI400980C