Chlorine 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:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of 5-Chlorouracil Modified A:U Base Pair, PDB code: 4htu:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of 5-Chlorouracil Modified A:U Base Pair


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 C:Cl8 b:55.3 occ:1.00 CL C:UCL8 0.0 55.3 1.0 C5 C:UCL8 1.7 37.4 1.0 C6 C:UCL8 2.7 35.5 1.0 C4 C:UCL8 2.8 36.0 1.0 O4 C:UCL8 3.0 49.0 1.0 O C:HOH234 3.4 46.1 1.0 O C:HOH235 3.5 49.1 1.0 C2' C:DT7 3.6 53.8 1.0 C6 C:DT7 3.7 34.8 1.0 N1 C:DT7 3.9 34.3 1.0 N1 C:UCL8 3.9 37.5 1.0 N3 C:UCL8 4.0 37.6 1.0 C5 C:DT7 4.1 36.9 1.0 C1' C:DT7 4.3 43.0 1.0 C2 C:DT7 4.5 31.3 1.0 C2 C:UCL8 4.5 38.2 1.0 C4 C:DT7 4.6 35.0 1.0 C7 C:DT7 4.6 39.5 1.0 N3 C:DT7 4.7 35.4 1.0 C3' C:DT7 4.9 57.3 1.0

Chlorine binding site 2 out of 4 in the Structure of 5-Chlorouracil Modified A:U Base Pair


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 D:Cl20 b:39.2 occ:1.00 CL D:UCL20 0.0 39.2 1.0 C5 D:UCL20 1.7 29.8 1.0 C6 D:UCL20 2.7 31.4 1.0 C4 D:UCL20 2.8 25.7 1.0 O4 D:UCL20 3.0 29.7 1.0 C6 D:DT19 3.6 38.3 1.0 C2' D:DT19 3.6 49.2 1.0 O D:HOH106 3.8 34.3 1.0 N1 D:DT19 3.9 34.6 1.0 C5 D:DT19 3.9 31.9 1.0 N1 D:UCL20 4.0 31.4 1.0 N3 D:UCL20 4.0 28.9 1.0 O D:HOH101 4.0 35.4 1.0 C1' D:DT19 4.3 46.6 1.0 O C:HOH219 4.3 39.5 1.0 C2 D:DT19 4.4 29.4 1.0 C4 D:DT19 4.5 28.4 1.0 C7 D:DT19 4.5 33.6 1.0 C2 D:UCL20 4.5 27.4 1.0 N4 D:DC21 4.5 25.4 1.0 N3 D:DT19 4.6 35.1 1.0 C3' D:DT19 5.0 53.8 1.0

Chlorine binding site 3 out of 4 in the Structure of 5-Chlorouracil Modified A:U Base Pair


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of 5-Chlorouracil Modified A:U Base Pair within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl8 b:78.1 occ:1.00 CL E:UCL8 0.0 78.1 1.0 C5 E:UCL8 1.7 80.9 1.0 C6 E:UCL8 2.7 75.3 1.0 C4 E:UCL8 2.8 77.8 1.0 O4 E:UCL8 3.0 74.4 1.0 C2' E:DT7 3.3 79.5 1.0 N1 E:DT7 3.4 69.9 1.0 C6 E:DT7 3.6 67.1 1.0 C2 E:DT7 3.7 65.1 1.0 C1' E:DT7 3.8 69.2 1.0 N1 E:UCL8 4.0 85.8 1.0 C5 E:DT7 4.0 59.2 1.0 N3 E:UCL8 4.0 69.6 1.0 N3 E:DT7 4.1 55.5 1.0 O2 E:DT7 4.2 62.9 1.0 C4 E:DT7 4.3 63.4 1.0 C2 E:UCL8 4.5 85.5 1.0 O6 F:DG16 4.6 0.9 1.0 C3' E:DT7 4.7 84.3 1.0 N6 F:DA17 4.8 62.2 1.0 C7 E:DT7 4.8 60.6 1.0

Chlorine binding site 4 out of 4 in the Structure of 5-Chlorouracil Modified A:U Base Pair


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of 5-Chlorouracil Modified A:U Base Pair within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl20 b:58.5 occ:1.00 CL F:UCL20 0.0 58.5 1.0 C5 F:UCL20 1.7 59.4 1.0 C6 F:UCL20 2.7 61.5 1.0 C4 F:UCL20 2.8 63.6 1.0 O4 F:UCL20 3.0 50.9 1.0 C2' F:DT19 3.6 77.5 1.0 C6 F:DT19 3.7 68.7 1.0 N1 F:DT19 3.9 77.2 1.0 N1 F:UCL20 3.9 67.9 1.0 C5 F:DT19 4.0 64.9 1.0 N3 F:UCL20 4.0 41.7 1.0 C1' F:DT19 4.3 81.7 1.0 C2 F:DT19 4.4 64.6 1.0 C2 F:UCL20 4.5 66.6 1.0 C4 F:DT19 4.5 60.7 1.0 C7 F:DT19 4.5 53.2 1.0 N3 F:DT19 4.6 50.9 1.0 C3' F:DT19 4.9 86.5 1.0 N4 F:DC21 4.9 39.1 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