Chlorine in PDB 4gsg: Dna Holliday Junction Stabilized By Chlorine Halogen Bond. CL1J Construct of Related Reference.

The structure of Dna Holliday Junction Stabilized By Chlorine Halogen Bond. CL1J Construct of Related Reference., PDB code: 4gsg was solved by P.S.Ho, M.Carter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.64 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	65.578, 24.355, 37.243, 90.00, 110.85, 90.00
R / Rfree (%)	27.1 / 32.2

The binding sites of Chlorine atom in the Dna Holliday Junction Stabilized By Chlorine Halogen Bond. CL1J Construct of Related Reference. (pdb code 4gsg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Dna Holliday Junction Stabilized By Chlorine Halogen Bond. CL1J Construct of Related Reference., PDB code: 4gsg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Dna Holliday Junction Stabilized By Chlorine Halogen Bond. CL1J Construct of Related Reference.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dna Holliday Junction Stabilized By Chlorine Halogen Bond. CL1J Construct of Related Reference. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl17 b:8.3 occ:0.35 CL B:UCL17 0.0 8.3 0.3 C5 D:DC37 1.6 7.6 0.3 C5 B:UCL17 1.7 9.9 0.7 C4 D:DC37 2.4 6.8 0.3 N4 D:DC37 2.6 7.8 0.3 C4 B:UCL17 2.7 8.0 0.7 C6 B:UCL17 2.7 7.4 0.7 C6 D:DC37 2.7 7.0 0.3 O4 B:UCL17 3.0 10.8 0.7 O B:HOH129 3.4 28.1 1.0 N3 D:DC37 3.7 4.1 0.3 C8 B:DA16 3.8 16.5 0.7 N4 D:DC38 3.8 7.2 0.3 C2' B:DA16 3.9 20.7 0.7 N1 D:DC37 3.9 7.9 0.3 N3 B:UCL17 3.9 5.9 0.7 N4 B:DC18 3.9 2.6 0.7 C8 D:DA36 4.0 7.6 0.3 N1 B:UCL17 4.0 10.9 0.7 C2' D:DA36 4.0 11.8 0.3 N7 B:DA16 4.1 15.5 0.7 N9 B:DA16 4.1 15.5 0.7 O6 C:DG23 4.1 14.4 0.3 O D:HOH146 4.1 33.3 1.0 O6 A:DG3 4.2 14.6 0.7 N7 D:DA36 4.3 6.3 0.3 N9 D:DA36 4.3 8.0 0.3 C2 D:DC37 4.3 5.3 0.3 C2 B:UCL17 4.5 7.5 0.7 C5 B:DA16 4.5 15.7 0.7 C4 B:DA16 4.6 15.4 0.7 C1' B:DA16 4.6 19.1 0.7 C4 D:DC38 4.7 7.5 0.3 C5 D:DA36 4.7 7.5 0.3 C1' D:DA36 4.8 10.6 0.3 C4 B:DC18 4.8 2.1 0.7 C4 D:DA36 4.8 7.6 0.3 O B:HOH117 4.9 16.9 1.0 O1P B:UCL17 5.0 26.3 0.7

Chlorine binding site 2 out of 2 in the Dna Holliday Junction Stabilized By Chlorine Halogen Bond. CL1J Construct of Related Reference.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dna Holliday Junction Stabilized By Chlorine Halogen Bond. CL1J Construct of Related Reference. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl27 b:2.7 occ:0.15 CL C:UCL27 0.0 2.7 0.1 C5 A:DC7 1.3 4.3 0.7 C5 C:UCL27 1.7 3.4 0.3 C6 A:DC7 2.3 5.0 0.7 C4 A:DC7 2.4 1.5 0.7 C4 C:UCL27 2.7 1.4 0.3 C6 C:UCL27 2.7 3.9 0.3 N4 A:DC7 2.8 1.9 0.7 OP1 A:DA6 2.9 18.2 0.7 OP1 C:DA26 2.9 14.0 0.3 O4 C:UCL27 3.0 1.1 0.3 O5' A:DA6 3.0 13.0 0.7 O5' C:DA26 3.1 10.9 0.3 P C:DA26 3.4 12.8 0.3 P A:DA6 3.4 16.3 0.7 N1 A:DC7 3.6 6.7 0.7 C5' A:DA6 3.6 12.1 0.7 C5' C:DA26 3.6 9.6 0.3 N3 A:DC7 3.6 4.6 0.7 O C:HOH118 3.6 12.3 1.0 OP2 C:DA26 3.9 12.0 0.3 N3 C:UCL27 3.9 3.3 0.3 N1 C:UCL27 4.0 4.4 0.3 OP2 A:DA6 4.0 14.6 0.7 C2 A:DC7 4.1 4.8 0.7 C3' A:DA6 4.1 7.2 0.7 C3' C:DA26 4.1 6.7 0.3 O C:HOH101 4.2 1.1 0.5 C4' A:DA6 4.4 8.4 0.7 C4' C:DA26 4.5 7.4 0.3 C2 C:UCL27 4.5 3.2 0.3 N4 C:DC28 4.5 7.7 0.3 N4 A:DC8 4.5 10.8 0.7 O5' A:DC7 4.7 11.4 0.7 C2' C:DA26 4.7 5.4 0.3 C2' A:DA6 4.7 5.3 0.7 C1' A:DC7 4.8 6.2 0.7 O4' A:DC7 4.8 5.5 0.7 O5' C:UCL27 4.8 9.7 0.3 O3' A:DT5 4.8 16.6 0.7 O3' C:DT25 4.9 13.4 0.3 OP2 A:DC7 4.9 12.0 0.7 O1P C:UCL27 4.9 9.5 0.3

M.Carter, A.R.Voth, M.R.Scholfield, B.Rummel, L.C.Sowers, P.S.Ho. Enthalpy-Entropy Compensation in Biomolecular Halogen Bonds Measured in Dna Junctions. Biochemistry V. 52 4891 2013.
ISSN: ISSN 0006-2960
PubMed: 23789744
DOI: 10.1021/BI400590H