Magnesium in PDB 4hue: Structure of 5-Chlorouracil Modified G:U Base Pair

All present enzymatic activity of Structure of 5-Chlorouracil Modified G:U Base Pair:
3.1.26.4;

The structure of Structure of 5-Chlorouracil Modified G:U Base Pair, PDB code: 4hue was solved by A.Patra, M.Egli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.27 / 1.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.360, 64.808, 116.622, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 22

The structure of Structure of 5-Chlorouracil Modified G:U Base Pair also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the Structure of 5-Chlorouracil Modified G:U Base Pair (pdb code 4hue). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of 5-Chlorouracil Modified G:U Base Pair, PDB code: 4hue:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of 5-Chlorouracil Modified G:U Base Pair


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of 5-Chlorouracil Modified G:U Base Pair within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:17.1 occ:0.30 OE2 A:GLU109 2.0 26.5 1.0 O A:HOH445 2.0 26.6 0.2 O A:HOH340 2.0 37.5 1.0 O A:HOH383 2.1 31.8 1.0 O A:HOH349 2.1 31.5 1.0 OD1 A:ASP71 2.3 22.0 1.0 CD A:GLU109 3.1 24.3 1.0 OD1 A:ASN132 3.5 25.9 0.5 CG A:ASP71 3.5 24.1 1.0 O A:HOH375 3.8 33.6 1.0 OE1 A:GLU109 3.8 22.6 1.0 OD1 A:ASN105 3.8 23.4 1.0 OD2 A:ASP71 4.0 28.7 1.0 ND2 A:ASN132 4.1 24.5 0.5 N A:VAL72 4.1 17.6 1.0 O A:VAL72 4.2 19.6 1.0 CG A:ASN132 4.2 24.1 0.5 ND2 A:ASN105 4.2 20.9 1.0 CG A:GLU109 4.2 19.9 1.0 O A:HOH385 4.2 38.5 1.0 CB A:VAL72 4.4 17.3 1.0 O A:HOH308 4.4 25.0 1.0 CG A:ASN105 4.5 21.0 1.0 O B:HOH254 4.5 34.9 1.0 CA A:VAL72 4.7 16.5 1.0 CB A:ASP71 4.8 21.1 1.0 CA A:ASP71 4.9 16.4 1.0 C A:VAL72 4.9 18.6 1.0 O A:HOH313 5.0 27.9 1.0

Magnesium binding site 2 out of 2 in the Structure of 5-Chlorouracil Modified G:U Base Pair


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of 5-Chlorouracil Modified G:U Base Pair within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg102 b:20.3 occ:0.55 OP2 E:DG2 2.0 25.1 1.0 O E:HOH210 2.1 31.8 1.0 O E:HOH216 2.1 29.3 1.0 O E:HOH214 2.1 35.3 1.0 O E:HOH211 2.1 34.9 1.0 O E:HOH213 2.1 34.0 1.0 P E:DG2 3.5 23.0 1.0 O E:HOH215 3.6 38.8 1.0 O1 E:GOL101 3.7 37.8 1.0 O E:HOH217 3.8 29.5 1.0 C3' E:DC1 4.0 24.3 1.0 O3' E:DC1 4.1 22.7 1.0 O E:HOH220 4.2 41.9 1.0 C8 E:DG2 4.2 23.1 1.0 O5' E:DC1 4.3 24.9 1.0 O5' E:DG2 4.3 21.0 1.0 N7 E:DG2 4.4 21.6 1.0 OP1 E:DG2 4.4 26.9 1.0 C1 E:GOL101 5.0 24.6 1.0 C2' E:DC1 5.0 23.6 1.0

A.Patra, J.Harp, P.S.Pallan, L.Zhao, M.Abramov, P.Herdewijn, M.Egli. Structure, Stability and Function of 5-Chlorouracil Modified A:U and G:U Base Pairs. Nucleic Acids Res. V. 41 2689 2013.
ISSN: ISSN 0305-1048
PubMed: 23275540
DOI: 10.1093/NAR/GKS1316