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Iodine in PDB 4gs2: Dna Holliday Junction Stabilized By Iodine Halogen Bond. I1J Construct in Related Reference.

Protein crystallography data

The structure of Dna Holliday Junction Stabilized By Iodine Halogen Bond. I1J Construct in Related Reference., PDB code: 4gs2 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) 23.30 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 65.739, 25.187, 37.171, 90.00, 110.88, 90.00
R / Rfree (%) 23.5 / 26.1

Iodine Binding Sites:

The binding sites of Iodine atom in the Dna Holliday Junction Stabilized By Iodine Halogen Bond. I1J Construct in Related Reference. (pdb code 4gs2). 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. I1J Construct in Related Reference., PDB code: 4gs2:

Iodine binding site 1 out of 1 in 4gs2

Go back to Iodine Binding Sites List in 4gs2
Iodine binding site 1 out of 1 in the Dna Holliday Junction Stabilized By Iodine Halogen Bond. I1J Construct in 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. I1J Construct in Related Reference. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I7

b:15.9
occ:0.45
I5 A:5IU7 0.0 15.9 0.5
C5 A:5IU7 2.1 15.7 1.0
C4 A:5IU7 3.0 18.5 1.0
C6 A:5IU7 3.1 18.9 1.0
O4 A:5IU7 3.1 21.2 1.0
OP1 A:DA6 3.1 30.6 1.0
O5' A:DA6 3.3 30.3 1.0
P A:DA6 3.6 30.0 1.0
O A:HOH101 3.7 33.9 1.0
C5' A:DA6 3.8 27.9 1.0
C3' A:DA6 4.1 26.0 1.0
OP2 A:DA6 4.2 27.0 1.0
N4 A:DC8 4.2 28.1 1.0
N3 A:5IU7 4.3 17.1 1.0
O A:HOH125 4.3 18.1 0.5
N1 A:5IU7 4.3 20.3 1.0
OP1 A:5IU7 4.4 25.4 1.0
C4' A:DA6 4.6 25.8 1.0
O A:HOH115 4.7 36.1 1.0
O5' A:5IU7 4.8 26.0 1.0
C2' A:DA6 4.9 24.7 1.0
C2 A:5IU7 4.9 22.6 1.0

Reference:

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
Page generated: Sun Dec 13 19:32:50 2020

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