Mercury in PDB 7tfx: [T:Ag+/HG2+:T--(PH11-PH7; 120S)] Metal-Mediated Dna Base Pair in Tensegrity Triangle Grown at pH 11 and Soaked in pH 7 For 120S

The structure of [T:Ag+/HG2+:T--(PH11-PH7; 120S)] Metal-Mediated Dna Base Pair in Tensegrity Triangle Grown at pH 11 and Soaked in pH 7 For 120S, PDB code: 7tfx 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)	40.99 / 4.99
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	106.709, 106.709, 88.757, 90, 90, 120
R / Rfree (%)	17.1 / 18.6

The binding sites of Mercury atom in the [T:Ag+/HG2+:T--(PH11-PH7; 120S)] Metal-Mediated Dna Base Pair in Tensegrity Triangle Grown at pH 11 and Soaked in pH 7 For 120S (pdb code 7tfx). 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:Ag+/HG2+:T--(PH11-PH7; 120S)] Metal-Mediated Dna Base Pair in Tensegrity Triangle Grown at pH 11 and Soaked in pH 7 For 120S, PDB code: 7tfx:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the [T:Ag+/HG2+:T--(PH11-PH7; 120S)] Metal-Mediated Dna Base Pair in Tensegrity Triangle Grown at pH 11 and Soaked in pH 7 For 120S


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of [T:Ag+/HG2+:T--(PH11-PH7; 120S)] Metal-Mediated Dna Base Pair in Tensegrity Triangle Grown at pH 11 and Soaked in pH 7 For 120S within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg101 b:100.8 occ:0.28 O4 B:DT4 2.9 191.1 1.0 O4 A:DT11 3.0 183.5 1.0 O4 A:DT12 3.7 159.6 1.0 C4 A:DT11 3.8 177.5 1.0 C7 A:DT11 4.0 194.1 1.0 N6 B:DA5 4.1 203.3 1.0 C4 B:DT4 4.1 198.6 1.0 N1 B:DA5 4.3 198.3 1.0 C5 A:DT11 4.3 184.1 1.0 N6 B:DA3 4.3 193.2 1.0 C6 B:DA5 4.6 205.1 1.0 N3 A:DT11 4.8 171.4 1.0 C7 A:DT12 4.9 150.9 1.0 C4 A:DT12 4.9 149.3 1.0 N3 B:DT4 4.9 201.7 1.0

Mercury binding site 2 out of 2 in the [T:Ag+/HG2+:T--(PH11-PH7; 120S)] Metal-Mediated Dna Base Pair in Tensegrity Triangle Grown at pH 11 and Soaked in pH 7 For 120S


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of [T:Ag+/HG2+:T--(PH11-PH7; 120S)] Metal-Mediated Dna Base Pair in Tensegrity Triangle Grown at pH 11 and Soaked in pH 7 For 120S within 5.0Å range: probe atom residue distance (Å) B Occ B:Hg101 b:153.3 occ:0.45 N3 B:DT4 2.5 201.7 1.0 N3 A:DT12 2.7 145.9 1.0 O4 A:DT12 2.8 159.6 1.0 O2 B:DT4 2.9 213.2 1.0 C2 B:DT4 3.1 210.3 1.0 C4 A:DT12 3.1 149.3 1.0 N1 B:DA3 3.5 204.6 1.0 N3 A:DT13 3.6 161.3 1.0 C4 B:DT4 3.6 198.6 1.0 C2 B:DA5 3.6 200.7 1.0 N3 B:DA5 3.7 209.4 1.0 O4 B:DT4 3.8 191.1 1.0 C2 A:DT12 3.9 140.6 1.0 C4 A:DT13 3.9 160.7 1.0 C2 B:DA3 4.0 212.4 1.0 N1 B:DA5 4.0 198.3 1.0 C2 A:DT13 4.0 157.3 1.0 C6 B:DA3 4.0 200.7 1.0 C4 B:DA5 4.0 215.8 1.0 O2 A:DT12 4.2 138.9 1.0 O4 A:DT13 4.2 165.4 1.0 N6 B:DA3 4.2 193.2 1.0 O2 A:DT13 4.3 159.0 1.0 C6 B:DA5 4.3 205.1 1.0 C5 B:DA5 4.4 214.2 1.0 N1 B:DT4 4.5 216.0 1.0 C5 A:DT12 4.5 146.6 1.0 C5 A:DT13 4.6 155.0 1.0 N1 A:DT13 4.6 152.1 1.0 N9 B:DA5 4.8 225.8 1.0 N3 B:DA3 4.9 217.2 1.0 C5 B:DA3 4.9 205.4 1.0 C5 B:DT4 4.9 205.1 1.0 C6 A:DT13 4.9 151.0 1.0 O4' B:DA5 4.9 231.4 1.0 N1 A:DT12 5.0 138.1 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.