Mercury in PDB 8dxd: [C:HG2+/Ag+:C--pH 8] Metal-Mediated Dna Base Pair in Tensegrity Triangle in Ag+ and HG2+ Solution

The structure of [C:HG2+/Ag+:C--pH 8] Metal-Mediated Dna Base Pair in Tensegrity Triangle in Ag+ and HG2+ Solution, PDB code: 8dxd was solved by B.Lu, S.Vecchioni, N.C.Seeman, R.Sha, Y.P.Ohayon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.61 / 4.28
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	105.56, 105.56, 93.091, 90, 90, 120
R / Rfree (%)	22.9 / 26.7

The binding sites of Mercury atom in the [C:HG2+/Ag+:C--pH 8] Metal-Mediated Dna Base Pair in Tensegrity Triangle in Ag+ and HG2+ Solution (pdb code 8dxd). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the [C:HG2+/Ag+:C--pH 8] Metal-Mediated Dna Base Pair in Tensegrity Triangle in Ag+ and HG2+ Solution, PDB code: 8dxd:

Mercury binding site 1 out of 1 in the [C:HG2+/Ag+:C--pH 8] Metal-Mediated Dna Base Pair in Tensegrity Triangle in Ag+ and HG2+ Solution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of [C:HG2+/Ag+:C--pH 8] Metal-Mediated Dna Base Pair in Tensegrity Triangle in Ag+ and HG2+ Solution within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg101 b:255.8 occ:0.28 N4 B:DC4 2.6 140.8 1.0 N4 A:DC12 2.7 234.4 1.0 N6 B:DA3 2.9 154.7 1.0 N3 B:DC4 3.3 142.1 1.0 C4 B:DC4 3.4 141.3 1.0 C6 B:DA3 3.5 154.8 1.0 C4 A:DC12 3.8 230.8 1.0 N7 B:DA3 3.8 153.5 1.0 C5 B:DA3 3.8 154.3 1.0 O4 A:DT11 3.9 230.1 1.0 O4 A:DT13 3.9 248.7 1.0 C4 A:DT11 4.1 226.3 1.0 C5 A:DC12 4.2 227.1 1.0 N1 B:DA5 4.3 264.9 1.0 C5 A:DT11 4.4 246.9 1.0 N1 B:DA3 4.5 155.6 1.0 C7 A:DT11 4.5 250.8 1.0 N6 B:DA5 4.5 246.2 1.0 C2 B:DC4 4.6 142.7 1.0 N3 A:DT11 4.7 223.9 1.0 C6 B:DA5 4.8 242.3 1.0 C5 B:DC4 4.8 141.1 1.0 C4 A:DT13 4.9 247.9 1.0 N3 A:DC12 4.9 230.8 1.0 C8 B:DA3 4.9 153.3 1.0 C4 B:DA3 5.0 154.5 1.0

B.Lu, Y.P.Ohayon, K.Woloszyn, C.F.Yang, J.B.Yoder, L.J.Rothschild, S.J.Wind, W.A.Hendrickson, C.Mao, N.C.Seeman, J.W.Canary, R.Sha, S.Vecchioni. Heterobimetallic Base Pair Programming in Designer 3D Dna Crystals. J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
PubMed: 37530628
DOI: 10.1021/JACS.3C05478