Magnesium in PDB 5mvl: Crystal Structure of An A-Dna Dodecamer Containing 5-Bromouracil

The structure of Crystal Structure of An A-Dna Dodecamer Containing 5-Bromouracil, PDB code: 5mvl was solved by J.S.Hardwick, D.Ptchelkine, S.E.V.Phillips, T.Brown, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.67 / 1.41
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	43.517, 43.517, 60.850, 90.00, 90.00, 120.00
R / Rfree (%)	15.7 / 18.2

The structure of Crystal Structure of An A-Dna Dodecamer Containing 5-Bromouracil also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of An A-Dna Dodecamer Containing 5-Bromouracil (pdb code 5mvl). 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 Crystal Structure of An A-Dna Dodecamer Containing 5-Bromouracil, PDB code: 5mvl:

Magnesium binding site 1 out of 1 in the Crystal Structure of An A-Dna Dodecamer Containing 5-Bromouracil


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of An A-Dna Dodecamer Containing 5-Bromouracil within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:23.0 occ:0.51 O A:HOH209 2.0 22.6 0.8 O A:HOH202 2.1 20.4 0.4 O A:HOH218 2.1 29.2 0.8 O A:HOH241 2.1 29.0 0.6 O A:HOH233 2.1 27.9 0.9 O A:HOH239 2.2 36.1 0.8 H41 A:DC6 3.3 25.9 1.0 O A:HOH228 4.1 25.9 0.7 N4 A:DC6 4.1 21.6 1.0 O B:HOH129 4.1 30.1 0.8 O A:HOH232 4.2 33.0 0.7 N7 A:DG5 4.2 22.1 1.0 O A:HOH213 4.2 24.7 0.8 O B:HOH106 4.2 21.9 0.7 H42 A:DC6 4.3 25.9 1.0 O6 A:DG5 4.3 22.4 1.0 O A:HOH236 4.4 33.9 0.6 O6 A:DG7 4.6 20.9 1.0 H41 A:DC4 4.6 27.8 1.0 C5 A:DG5 4.8 22.3 1.0 C6 A:DG5 4.9 21.1 1.0 H5 A:DC4 4.9 28.3 1.0 H5 A:DC6 5.0 27.3 1.0 N4 A:DC4 5.0 23.1 1.0 H42 B:DC6 5.0 27.4 1.0

J.S.Hardwick, D.Ptchelkine, A.H.El-Sagheer, I.Tear, D.Singleton, S.E.V.Phillips, A.N.Lane, T.Brown. 5-Formylcytosine Does Not Change the Global Structure of Dna. Nat. Struct. Mol. Biol. V. 24 544 2017.
ISSN: ESSN 1545-9985
PubMed: 28504696
DOI: 10.1038/NSMB.3411