Magnesium in PDB 4htu: Structure of 5-Chlorouracil Modified A:U Base Pair

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

The structure of Structure of 5-Chlorouracil Modified A:U Base Pair, PDB code: 4htu 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)	35.88 / 1.49
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.075, 64.756, 116.469, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 21.8

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

Chlorine

(Cl)

4 atoms

The binding sites of Magnesium atom in the Structure of 5-Chlorouracil Modified A:U Base Pair (pdb code 4htu). 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 Pair, PDB code: 4htu:
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 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 A:U Base Pair within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:9.3 occ:0.32 OE2 A:GLU109 2.0 22.1 1.0 O A:HOH440 2.0 34.2 1.0 O A:HOH426 2.1 27.4 1.0 O A:HOH441 2.1 38.9 1.0 O A:HOH340 2.1 25.4 1.0 OD1 A:ASP71 2.3 16.3 1.0 CD A:GLU109 3.1 22.4 1.0 CG A:ASP71 3.5 18.2 1.0 OD1 A:ASN132 3.5 19.6 0.4 OE1 A:GLU109 3.8 17.5 1.0 O A:HOH371 3.8 28.4 1.0 OD1 A:ASN105 3.9 18.8 1.0 OD2 A:ASP71 4.0 23.2 1.0 ND2 A:ASN132 4.1 22.2 0.4 N A:VAL72 4.1 12.7 1.0 CG A:GLU109 4.2 16.1 1.0 CG A:ASN132 4.2 17.1 0.4 ND2 A:ASN105 4.2 15.6 1.0 O A:VAL72 4.3 16.6 1.0 O B:HOH485 4.3 41.5 1.0 O A:HOH416 4.4 34.6 1.0 O A:HOH308 4.4 19.3 1.0 O A:HOH465 4.4 44.6 1.0 O B:HOH366 4.4 28.0 1.0 CB A:VAL72 4.4 12.9 1.0 CG A:ASN105 4.5 14.7 1.0 CA A:VAL72 4.8 12.3 1.0 CB A:ASP71 4.8 15.6 1.0 CA A:ASP71 4.9 12.3 1.0 C A:VAL72 5.0 13.5 1.0 O A:HOH310 5.0 22.5 1.0

Magnesium binding site 2 out of 2 in the Structure of 5-Chlorouracil Modified A: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 A:U Base Pair within 5.0Å range: probe atom residue distance (Å) B Occ E:Mg101 b:18.1 occ:0.47 OP2 E:DG2 2.1 21.8 1.0 O E:HOH215 2.1 34.7 1.0 O F:HOH206 2.1 35.9 1.0 O E:HOH213 2.1 38.9 1.0 O E:HOH207 2.1 27.3 0.7 O E:HOH217 2.1 28.5 1.0 O F:HOH211 3.4 41.5 1.0 P E:DG2 3.5 19.3 1.0 O F:HOH212 3.8 32.2 1.0 C3' E:DC1 4.0 17.8 1.0 O3' E:DC1 4.1 19.4 1.0 C8 E:DG2 4.1 19.3 1.0 N7 E:DG2 4.3 18.7 1.0 O5' E:DC1 4.3 22.0 0.8 O5' E:DG2 4.3 17.3 1.0 O E:HOH218 4.3 39.8 1.0 O5' E:DC1 4.4 21.9 0.2 O F:HOH207 4.4 32.1 1.0 OP1 E:DG2 4.5 22.0 1.0 O1 F:EDO102 4.6 35.3 1.0 C2' E:DC1 4.8 19.6 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