Iodine in PDB 4gre: Dna Holliday Junction Stabilized By Iodine Halogen Bond. I2J Construct of Related Reference

The structure of Dna Holliday Junction Stabilized By Iodine Halogen Bond. I2J Construct of Related Reference, PDB code: 4gre 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)	19.57 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.956, 24.773, 37.616, 90.00, 111.59, 90.00
R / Rfree (%)	23.9 / 25.5

The binding sites of Iodine atom in the Dna Holliday Junction Stabilized By Iodine Halogen Bond. I2J Construct of Related Reference (pdb code 4gre). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Dna Holliday Junction Stabilized By Iodine Halogen Bond. I2J Construct of Related Reference, PDB code: 4gre:

Iodine binding site 1 out of 1 in the Dna Holliday Junction Stabilized By Iodine Halogen Bond. I2J Construct of Related Reference


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Dna Holliday Junction Stabilized By Iodine Halogen Bond. I2J Construct of Related Reference within 5.0Å range: probe atom residue distance (Å) B Occ A:I7 b:12.8 occ:1.00 I5 A:5IU7 0.0 12.8 1.0 C5 A:5IU7 2.1 6.7 1.0 OP1 A:DA6 3.0 13.6 1.0 C6 A:5IU7 3.1 7.0 1.0 C4 A:5IU7 3.1 4.9 1.0 O4 A:5IU7 3.3 7.8 1.0 O5' A:DA6 3.8 15.7 1.0 P A:DA6 3.8 16.9 1.0 C5' A:DA6 4.0 13.2 1.0 OP2 A:5IU7 4.1 8.3 1.0 N4 A:DC8 4.2 7.5 1.0 C3' A:DA6 4.3 9.4 1.0 N3 A:5IU7 4.4 9.0 1.0 N1 A:5IU7 4.4 8.8 1.0 OP2 A:DA6 4.4 20.4 1.0 C4' A:DA6 4.7 11.4 1.0 O A:HOH109 4.8 11.8 1.0 O5' A:5IU7 4.9 10.9 1.0 C2 A:5IU7 4.9 8.1 1.0

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