Atomistry » Chlorine » PDB 4hn0-4hw2 » 4hug
Atomistry »
  Chlorine »
    PDB 4hn0-4hw2 »
      4hug »

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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 4hug:

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

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structure of 5-Chlorouracil Modified A:U Base Pairs, PDB code: 4hug:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4hug

Go back to Chlorine Binding Sites List in 4hug
Chlorine binding site 1 out of 8 in the Structure of 5-Chlorouracil Modified A:U Base Pairs


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 Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl7

b:49.8
occ:1.00
 CL C:UCL7 0.0 49.8 1.0
C5 C:UCL7 1.7 39.1 1.0
C6 C:UCL7 2.7 40.1 1.0
C4 C:UCL7 2.8 40.1 1.0
O4 C:UCL7 3.0 40.7 1.0
C8 C:DA6 3.5 32.1 1.0
N7 C:DA6 3.7 32.8 1.0
N9 C:DA6 3.9 36.4 1.0
N1 C:UCL7 3.9 41.1 1.0
N3 C:UCL7 4.0 40.3 1.0
C2' C:DA6 4.0 46.7 1.0
C5 C:DA6 4.1 31.6 1.0
C4 C:DA6 4.2 34.3 1.0
C2 C:UCL7 4.5 40.1 1.0
C1' C:DA6 4.5 40.3 1.0
O4 C:UCL8 4.7 49.9 1.0
CL C:UCL8 4.8 55.0 1.0
C6 C:DA6 4.9 32.8 1.0

Chlorine binding site 2 out of 8 in 4hug

Go back to Chlorine Binding Sites List in 4hug
Chlorine binding site 2 out of 8 in the Structure of 5-Chlorouracil Modified A:U Base Pairs


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 Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl8

b:55.0
occ:1.00
 CL C:UCL8 0.0 55.0 1.0
C5 C:UCL8 1.7 45.8 1.0
C6 C:UCL8 2.7 43.2 1.0
C4 C:UCL8 2.8 44.0 1.0
O4 C:UCL8 3.0 49.9 1.0
C2' C:UCL7 3.4 55.1 1.0
C6 C:UCL7 3.7 40.1 1.0
N1 C:UCL7 3.8 41.1 1.0
N1 C:UCL8 3.9 45.8 1.0
N3 C:UCL8 4.0 46.0 1.0
C5 C:UCL7 4.1 39.1 1.0
C1' C:UCL7 4.2 44.5 1.0
C2 C:UCL7 4.3 40.1 1.0
C2 C:UCL8 4.5 44.2 1.0
C4 C:UCL7 4.5 40.1 1.0
N3 C:UCL7 4.6 40.3 1.0
C3' C:UCL7 4.7 55.3 1.0
CL C:UCL7 4.8 49.8 1.0
O2 C:UCL7 4.9 43.8 1.0
O1P C:UCL8 5.0 57.1 1.0

Chlorine binding site 3 out of 8 in 4hug

Go back to Chlorine Binding Sites List in 4hug
Chlorine binding site 3 out of 8 in the Structure of 5-Chlorouracil Modified A:U Base Pairs


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 Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl19

b:50.0
occ:1.00
 CL D:UCL19 0.0 50.0 1.0
C5 D:UCL19 1.7 35.2 1.0
C6 D:UCL19 2.7 44.0 1.0
C4 D:UCL19 2.8 38.3 1.0
O4 D:UCL19 3.0 39.5 1.0
C8 D:DA18 3.6 48.7 1.0
C2' D:DA18 3.8 59.6 1.0
N7 D:DA18 3.9 43.4 1.0
N9 D:DA18 3.9 46.8 1.0
N1 D:UCL19 4.0 39.6 1.0
N3 D:UCL19 4.0 40.2 1.0
C5 D:DA18 4.3 42.2 1.0
C4 D:DA18 4.3 41.6 1.0
C1' D:DA18 4.4 56.1 1.0
C2 D:UCL19 4.5 39.7 1.0
CL D:UCL20 4.6 50.0 1.0
O4 D:UCL20 4.6 35.1 1.0
O D:HOH204 4.8 39.8 1.0

Chlorine binding site 4 out of 8 in 4hug

Go back to Chlorine Binding Sites List in 4hug
Chlorine binding site 4 out of 8 in the Structure of 5-Chlorouracil Modified A:U Base Pairs


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 Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl20

b:50.0
occ:1.00
 CL D:UCL20 0.0 50.0 1.0
C5 D:UCL20 1.7 33.4 1.0
C6 D:UCL20 2.7 38.4 1.0
C4 D:UCL20 2.8 32.8 1.0
O4 D:UCL20 3.0 35.1 1.0
C6 D:UCL19 3.7 44.0 1.0
O D:HOH210 3.7 34.5 1.0
C2' D:UCL19 3.8 51.8 1.0
N1 D:UCL19 3.9 39.6 1.0
C5 D:UCL19 3.9 35.2 1.0
N1 D:UCL20 4.0 36.2 1.0
N3 D:UCL20 4.0 30.3 1.0
O D:HOH204 4.1 39.8 1.0
C2 D:UCL19 4.4 39.7 1.0
N4 D:DC21 4.4 26.5 1.0
C4 D:UCL19 4.4 38.3 1.0
O C:HOH115 4.4 39.3 1.0
C1' D:UCL19 4.4 49.5 1.0
C2 D:UCL20 4.5 34.5 1.0
CL D:UCL19 4.6 50.0 1.0
N3 D:UCL19 4.6 40.2 1.0
C3' D:UCL19 5.0 58.9 1.0

Chlorine binding site 5 out of 8 in 4hug

Go back to Chlorine Binding Sites List in 4hug
Chlorine binding site 5 out of 8 in the Structure of 5-Chlorouracil Modified A:U Base Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of 5-Chlorouracil Modified A:U Base Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl7

b:55.6
occ:1.00
 CL E:UCL7 0.0 55.6 1.0
C5 E:UCL7 1.7 52.5 1.0
C6 E:UCL7 2.7 57.3 1.0
C4 E:UCL7 2.8 57.1 1.0
O4 E:UCL7 3.1 59.8 1.0
C8 E:DA6 3.7 44.5 1.0
N7 E:DA6 3.9 42.3 1.0
N1 E:UCL7 3.9 60.7 1.0
N3 E:UCL7 4.0 56.1 1.0
N9 E:DA6 4.1 46.8 1.0
C2' E:DA6 4.2 58.5 1.0
C5 E:DA6 4.3 41.8 1.0
C4 E:DA6 4.4 47.5 1.0
C2 E:UCL7 4.5 58.2 1.0
CL E:UCL8 4.6 69.0 1.0
C1' E:DA6 4.7 54.8 1.0
O4 E:UCL8 5.0 64.1 1.0

Chlorine binding site 6 out of 8 in 4hug

Go back to Chlorine Binding Sites List in 4hug
Chlorine binding site 6 out of 8 in the Structure of 5-Chlorouracil Modified A:U Base Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of 5-Chlorouracil Modified A:U Base Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl8

b:69.0
occ:1.00
 CL E:UCL8 0.0 69.0 1.0
C5 E:UCL8 1.7 66.0 1.0
C6 E:UCL8 2.7 70.1 1.0
C4 E:UCL8 2.8 65.9 1.0
O4 E:UCL8 3.1 64.1 1.0
C2' E:UCL7 3.5 72.2 1.0
C6 E:UCL7 3.5 57.3 1.0
N1 E:UCL7 3.7 60.7 1.0
C5 E:UCL7 3.8 52.5 1.0
N1 E:UCL8 4.0 69.5 1.0
N3 E:UCL8 4.0 65.5 1.0
C2 E:UCL7 4.1 58.2 1.0
C1' E:UCL7 4.2 63.1 1.0
C4 E:UCL7 4.2 57.1 1.0
N3 E:UCL7 4.3 56.1 1.0
C2 E:UCL8 4.5 65.6 1.0
CL E:UCL7 4.6 55.6 1.0
O2 E:UCL7 4.7 58.9 1.0
C3' E:UCL7 4.7 74.4 1.0
O4 E:UCL7 5.0 59.8 1.0
O6 F:DG16 5.0 70.1 1.0

Chlorine binding site 7 out of 8 in 4hug

Go back to Chlorine Binding Sites List in 4hug
Chlorine binding site 7 out of 8 in the Structure of 5-Chlorouracil Modified A:U Base Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of 5-Chlorouracil Modified A:U Base Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl19

b:67.8
occ:1.00
 CL F:UCL19 0.0 67.8 1.0
C5 F:UCL19 1.7 59.0 1.0
C6 F:UCL19 2.7 63.6 1.0
C4 F:UCL19 2.8 58.7 1.0
O4 F:UCL19 3.1 57.0 1.0
C8 F:DA18 3.7 69.3 1.0
C2' F:DA18 3.9 75.5 1.0
N9 F:DA18 3.9 66.3 1.0
N1 F:UCL19 3.9 63.6 1.0
N7 F:DA18 4.0 68.4 1.0
N3 F:UCL19 4.0 52.3 1.0
C4 F:DA18 4.3 64.0 1.0
C5 F:DA18 4.4 65.5 1.0
C1' F:DA18 4.4 74.5 1.0
C2 F:UCL19 4.5 57.6 1.0
CL F:UCL20 4.6 55.9 1.0
O4 F:UCL20 4.9 48.2 1.0
O1P F:UCL19 4.9 82.5 1.0

Chlorine binding site 8 out of 8 in 4hug

Go back to Chlorine Binding Sites List in 4hug
Chlorine binding site 8 out of 8 in the Structure of 5-Chlorouracil Modified A:U Base Pairs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of 5-Chlorouracil Modified A:U Base Pairs within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl20

b:55.9
occ:1.00
 CL F:UCL20 0.0 55.9 1.0
C5 F:UCL20 1.7 50.3 1.0
C6 F:UCL20 2.7 55.2 1.0
C4 F:UCL20 2.8 48.7 1.0
O4 F:UCL20 3.0 48.2 1.0
C6 F:UCL19 3.6 63.6 1.0
N1 F:UCL19 3.7 63.6 1.0
C2' F:UCL19 3.8 67.7 1.0
C5 F:UCL19 3.8 59.0 1.0
N1 F:UCL20 4.0 57.6 1.0
O F:HOH206 4.0 40.5 1.0
N3 F:UCL20 4.0 38.6 1.0
C2 F:UCL19 4.2 57.6 1.0
C1' F:UCL19 4.2 67.1 1.0
C4 F:UCL19 4.3 58.7 1.0
N3 F:UCL19 4.4 52.3 1.0
C2 F:UCL20 4.5 52.6 1.0
CL F:UCL19 4.6 67.8 1.0
O2 F:UCL19 4.8 56.0 1.0

Reference:

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
Page generated: Fri Jul 11 16:31:45 2025

Last articles

Mg in 6IK9
Mg in 6IJI
Mg in 6IJH
Mg in 6IID
Mg in 6III
Mg in 6IHW
Mg in 6II6
Mg in 6IHV
Mg in 6IHU
Mg in 6IHS
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy