Mercury in PDB 7ti3: [T:HG2+:T--pH 11] Metal-Mediated Dna Base Pair in Tensegrity Triangle

The structure of [T:HG2+:T--pH 11] Metal-Mediated Dna Base Pair in Tensegrity Triangle, PDB code: 7ti3 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)	39.80 / 4.79
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	106.694, 106.694, 88.189, 90, 90, 120
R / Rfree (%)	16.9 / 22.1

The binding sites of Mercury atom in the [T:HG2+:T--pH 11] Metal-Mediated Dna Base Pair in Tensegrity Triangle (pdb code 7ti3). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the [T:HG2+:T--pH 11] Metal-Mediated Dna Base Pair in Tensegrity Triangle, PDB code: 7ti3:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the [T:HG2+:T--pH 11] Metal-Mediated Dna Base Pair in Tensegrity Triangle


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of [T:HG2+:T--pH 11] Metal-Mediated Dna Base Pair in Tensegrity Triangle within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg101 b:153.6 occ:0.57 O2 B:DT4 2.4 186.8 1.0 N3 B:DT4 2.9 164.0 1.0 C2 B:DT4 3.0 169.8 1.0 O2 A:DT13 3.4 65.7 1.0 N3 A:DT12 3.5 87.4 1.0 C2 A:DT13 3.6 64.8 1.0 N3 A:DT13 3.8 64.3 1.0 N3 B:DA5 3.8 143.3 1.0 C2 B:DA3 4.0 103.6 1.0 O2 A:DT12 4.0 88.0 1.0 C4 B:DA5 4.0 142.7 1.0 O4' B:DA5 4.1 164.6 1.0 N1 B:DA3 4.1 102.9 1.0 C4 B:DT4 4.2 143.0 1.0 C2 B:DA5 4.2 194.8 1.0 C2 A:DT12 4.2 87.3 1.0 N1 A:DT13 4.3 64.4 1.0 N1 B:DT4 4.3 149.7 1.0 O4 A:DT12 4.4 87.0 1.0 N9 B:DA5 4.4 158.9 1.0 C4 A:DT12 4.4 86.7 1.0 O4' A:DT13 4.5 171.6 1.0 C5 B:DA5 4.6 149.7 1.0 C4 A:DT13 4.6 63.4 1.0 O4 B:DT4 4.6 137.2 1.0 C1' B:DA5 4.7 154.2 1.0 N1 B:DA5 4.7 183.5 1.0 N3 B:DA3 4.8 103.5 1.0 C6 B:DA5 4.9 161.1 1.0 C1' A:DT13 4.9 147.7 1.0

Mercury binding site 2 out of 2 in the [T:HG2+:T--pH 11] Metal-Mediated Dna Base Pair in Tensegrity Triangle


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of [T:HG2+:T--pH 11] Metal-Mediated Dna Base Pair in Tensegrity Triangle within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg102 b:153.6 occ:0.58 O4 B:DT4 2.3 137.2 1.0 O4 A:DT12 2.6 87.0 1.0 N6 B:DA3 3.1 101.2 1.0 C4 B:DT4 3.5 143.0 1.0 C4 A:DT12 3.8 86.7 1.0 O4 A:DT11 3.8 84.4 1.0 C6 B:DA3 3.8 101.9 1.0 O4 A:DT13 3.9 63.1 1.0 N3 B:DT4 4.1 164.0 1.0 N6 B:DA5 4.2 165.3 1.0 N1 B:DA5 4.3 183.5 1.0 C7 A:DT12 4.4 85.1 1.0 C4 A:DT11 4.4 95.8 1.0 N1 B:DA3 4.5 102.9 1.0 C5 B:DA3 4.5 101.7 1.0 C6 B:DA5 4.5 161.1 1.0 C5 A:DT12 4.6 85.8 1.0 C5 B:DT4 4.6 131.2 1.0 C7 A:DT11 4.7 121.7 1.0 C4 A:DT13 4.7 63.4 1.0 N3 A:DT12 4.7 87.4 1.0 C7 B:DT4 4.8 108.6 1.0 N7 B:DA3 4.8 100.8 1.0 C5 A:DT11 4.9 120.3 1.0

B.Lu, Y.P.Ohayon, R.Sha, K.Woloszyn, L.Rothschild, S.Wind, W.Hendrickson, C.Mao, N.C.Seeman, S.Vecchioni. Crystallographic pH Titration of Silver and Mercury Mediated Dna Base Pairs To Be Published.