Chlorine in PDB 6s7d: Self-Complementary Duplex Dna Containing An Internucleoside Phosphoroselenolate

The structure of Self-Complementary Duplex Dna Containing An Internucleoside Phosphoroselenolate, PDB code: 6s7d was solved by P.F.Conlon, J.Steinhogl, J.S.Vyle, J.P.Hall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.57 / 1.45
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	38.642, 38.642, 79.307, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 23.7

The structure of Self-Complementary Duplex Dna Containing An Internucleoside Phosphoroselenolate also contains other interesting chemical elements:

Barium	(Ba)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Self-Complementary Duplex Dna Containing An Internucleoside Phosphoroselenolate (pdb code 6s7d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Self-Complementary Duplex Dna Containing An Internucleoside Phosphoroselenolate, PDB code: 6s7d:

Chlorine binding site 1 out of 1 in the Self-Complementary Duplex Dna Containing An Internucleoside Phosphoroselenolate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Self-Complementary Duplex Dna Containing An Internucleoside Phosphoroselenolate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl103 b:22.1 occ:1.00 O A:HOH210 2.5 31.7 0.9 O A:HOH219 2.5 34.0 1.0 O A:HOH221 3.0 29.0 1.0 O A:HOH222 3.5 37.7 1.0 O A:HOH220 3.7 38.2 1.0 O A:HOH210 4.3 30.0 0.1 BA A:BA101 4.3 22.1 1.0 NA A:NA102 4.8 33.0 1.0 OP2 A:DG7 4.9 24.1 1.0 OP2 A:DG6 4.9 23.3 1.0 N7 A:DG7 5.0 20.7 1.0

P.F.Conlon, O.Eguaogie, J.J.Wilson, J.S.T.Sweet, J.Steinhoegl, O.Hancox, K.Englert, C.J.Law, S.A.Allman, J.H.R.Tucker, J.P.Hall, J.S.Vyle. Solid-Phase Synthesis and Structural Characterisation of Phosphoroselenolate-Modified Dna: A Backbone Analogue Which Does Not Impose Conformational Bias and Facilitates Sad X-Ray Crystallography Chem Sci 2019.
ISSN: ESSN 2041-6539
DOI: 10.1039/C9SC04098F