Mercury in PDB 7sd8: [U:HG2+:U] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice

The structure of [U:HG2+:U] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice, PDB code: 7sd8 was solved by S.Vecchioni, B.Lu, 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)	32.80 / 2.94
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	106.284, 106.284, 93.516, 90, 90, 120
R / Rfree (%)	20.3 / 21.7

The binding sites of Mercury atom in the [U:HG2+:U] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice (pdb code 7sd8). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the [U:HG2+:U] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice, PDB code: 7sd8:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the [U:HG2+:U] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of [U:HG2+:U] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg101 b:112.3 occ:0.20 O2 A:DU12 3.6 153.1 1.0 O2 B:DU8 3.9 150.8 1.0 O4' B:DA9 4.0 167.2 1.0 O4' A:DT13 4.1 134.4 1.0 C1' B:DA9 4.2 160.4 1.0 N3 B:DA9 4.2 152.2 1.0 O2 A:DT13 4.4 135.5 1.0 N9 B:DA9 4.6 159.4 1.0 C4 B:DA9 4.6 155.1 1.0 C2 A:DU12 4.7 151.0 1.0 C4' A:DT13 4.8 133.7 1.0 HG B:HG101 4.8 205.7 0.8 C1' A:DT13 4.9 134.7 1.0 C4' B:DA9 4.9 168.2 1.0 C2 A:DT13 5.0 136.0 1.0

Mercury binding site 2 out of 2 in the [U:HG2+:U] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of [U:HG2+:U] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg101 b:205.7 occ:0.80 N3 B:DU8 2.1 138.0 1.0 N3 A:DU12 2.1 150.7 1.0 O4 A:DU12 2.6 149.4 1.0 C4 A:DU12 2.7 149.1 1.0 C2 B:DU8 2.9 146.0 1.0 O2 B:DU8 2.9 150.8 1.0 C4 B:DU8 3.1 131.9 1.0 C2 A:DU12 3.3 151.0 1.0 O4 B:DU8 3.3 124.4 1.0 O2 A:DU12 3.6 153.1 1.0 N1 B:DA9 3.6 139.8 1.0 C2 B:DA9 3.8 144.3 1.0 N1 B:DA3 3.8 145.2 1.0 N3 A:DT13 3.9 137.0 1.0 C6 B:DA9 4.0 144.6 1.0 C5 A:DU12 4.1 147.5 1.0 C6 B:DA3 4.1 139.6 1.0 N1 B:DU8 4.2 148.5 1.0 N6 B:DA3 4.2 131.6 1.0 C4 A:DT13 4.2 137.7 1.0 N3 B:DA9 4.3 152.2 1.0 C2 A:DT13 4.4 136.0 1.0 C2 B:DA3 4.4 153.0 1.0 O4 A:DT13 4.4 138.7 1.0 C5 B:DU8 4.4 135.5 1.0 N1 A:DU12 4.4 149.2 1.0 N6 B:DA9 4.5 140.4 1.0 C5 B:DA9 4.5 152.9 1.0 N3 A:DT11 4.5 150.7 1.0 C4 B:DA9 4.6 155.1 1.0 O2 A:DT13 4.6 135.5 1.0 C6 A:DU12 4.7 147.5 1.0 C6 B:DU8 4.8 143.5 1.0 HG A:HG101 4.8 112.3 0.2 C5 B:DA3 5.0 142.7 1.0 O4 A:DT11 5.0 151.0 1.0

S.Vecchioni, B.Lu, R.Sha, Y.P.Ohayon, J.Yoder, K.Woloszyn, W.Bernfeld, W.Hendrickson, L.Rothschild, C.Mao, S.Wind, N.C.Seeman. Metal-Mediated Dna Nanotechnology in 3D: Reengineering the Semantomorphic Alphabet To Be Published.