Magnesium in PDB 4hug: Structure of 5-Chlorouracil Modified A:U Base Pairs

All present enzymatic activity of Structure of 5-Chlorouracil Modified A:U Base Pairs:
3.1.26.4;

The structure of Structure of 5-Chlorouracil Modified A:U Base Pairs, PDB code: 4hug 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)	43.23 / 1.64
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.829, 64.638, 116.286, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 22.2

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

Chlorine

(Cl)

8 atoms

The binding sites of Magnesium atom in the Structure of 5-Chlorouracil Modified A:U Base Pairs (pdb code 4hug). 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 A:U Base Pairs, PDB code: 4hug:
Jump to Magnesium binding site number: 1; 2;

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


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 A:U Base Pairs within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:14.6 occ:0.54 OE2 A:GLU109 1.9 20.4 1.0 O A:HOH378 2.0 27.0 1.0 O A:HOH340 2.1 32.0 1.0 O A:HOH385 2.1 21.3 0.4 O B:HOH339 2.1 21.1 1.0 OD1 A:ASP71 2.3 14.9 1.0 CD A:GLU109 3.1 20.2 1.0 CG A:ASP71 3.4 16.3 1.0 OD1 A:ASN132 3.6 19.9 0.3 OE1 A:GLU109 3.8 15.9 1.0 O A:HOH369 3.8 25.0 1.0 OD1 A:ASN105 3.9 18.6 1.0 OD2 A:ASP71 3.9 22.0 1.0 N A:VAL72 4.0 10.4 1.0 O A:VAL72 4.2 14.4 1.0 ND2 A:ASN105 4.2 14.8 1.0 O B:HOH468 4.2 33.7 1.0 CG A:GLU109 4.2 14.7 1.0 O A:HOH380 4.2 34.5 1.0 ND2 A:ASN132 4.3 18.6 0.3 OE2 B:GLU175 4.3 16.2 0.5 O B:HOH356 4.3 27.2 1.0 CG A:ASN132 4.3 17.9 0.3 O A:HOH308 4.3 15.7 1.0 CB A:VAL72 4.4 10.3 1.0 CG A:ASN105 4.5 15.9 1.0 CA A:VAL72 4.7 9.7 1.0 CB A:ASP71 4.7 13.8 1.0 CA A:ASP71 4.8 12.3 1.0 C A:VAL72 4.9 13.4 1.0 C A:ASP71 5.0 10.2 1.0 O A:HOH313 5.0 20.5 1.0

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


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 A:U Base Pairs within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg102 b:18.0 occ:0.63 OP2 E:DG2 2.0 20.2 1.0 O E:HOH212 2.0 31.2 1.0 O E:HOH217 2.1 33.6 1.0 O E:HOH216 2.1 32.4 1.0 O E:HOH213 2.1 29.3 1.0 O E:HOH205 2.1 27.1 1.0 P E:DG2 3.5 18.3 1.0 O E:HOH220 3.6 34.2 1.0 O E:HOH218 3.9 30.2 1.0 C3' E:DC1 4.0 18.1 1.0 O3' E:DC1 4.1 19.1 1.0 O E:HOH229 4.2 44.5 1.0 C8 E:DG2 4.2 19.2 1.0 O5' E:DG2 4.3 16.5 1.0 N7 E:DG2 4.3 16.7 1.0 O5' E:DC1 4.4 22.1 1.0 O E:HOH222 4.4 40.4 1.0 OP1 E:DG2 4.4 20.9 1.0 O1 E:EDO101 4.9 29.8 1.0 C2' E:DC1 4.9 17.6 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