Iodine in PDB 7se5: [Iu:HG2+:Iu] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice

The structure of [Iu:HG2+:Iu] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice, PDB code: 7se5 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)	32.39 / 4.05
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	106.454, 106.454, 87.813, 90, 90, 120
R / Rfree (%)	20.2 / 24.8

The structure of [Iu:HG2+:Iu] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice also contains other interesting chemical elements:

Mercury

(Hg)

1 atom

The binding sites of Iodine atom in the [Iu:HG2+:Iu] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice (pdb code 7se5). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the [Iu:HG2+:Iu] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice, PDB code: 7se5:
Jump to Iodine binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of [Iu:HG2+:Iu] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice within 5.0Å range: probe atom residue distance (Å) B Occ A:I12 b:214.4 occ:1.00 I5 A:5IU12 0.0 214.4 1.0 C5 A:5IU12 2.1 221.5 1.0 C4 A:5IU12 3.1 229.4 1.0 C6 A:5IU12 3.1 219.1 1.0 O4 A:5IU12 3.2 231.8 1.0 C6 A:DT11 3.7 210.6 1.0 N1 A:DT11 3.8 215.6 1.0 C5 A:DT11 3.9 208.6 1.0 C2' A:DT11 3.9 197.1 1.0 C2 A:DT11 4.0 211.4 1.0 C4 A:DT11 4.1 206.9 1.0 O4 A:DT13 4.1 176.8 1.0 N3 A:DT11 4.1 205.5 1.0 N3 A:5IU12 4.3 234.5 1.0 N1 A:5IU12 4.3 224.2 1.0 C7 A:DT13 4.4 164.5 1.0 C1' A:DT11 4.4 208.3 1.0 C7 A:DT11 4.6 208.0 1.0 OP1 A:5IU12 4.6 229.7 1.0 O2 A:DT11 4.7 232.5 1.0 C2 A:5IU12 4.8 232.1 1.0 O4 A:DT11 4.8 207.8 1.0 C4 A:DT13 4.9 178.8 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of [Iu:HG2+:Iu] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice within 5.0Å range: probe atom residue distance (Å) B Occ B:I4 b:250.9 occ:1.00 I5 B:5IU4 0.0 250.9 1.0 C5 B:5IU4 2.1 255.3 1.0 C6 B:5IU4 3.0 255.3 1.0 C4 B:5IU4 3.1 252.6 1.0 O4 B:5IU4 3.3 243.8 1.0 C8 B:DA3 3.8 202.3 1.0 N7 B:DA3 3.9 194.5 1.0 N6 B:DA5 4.2 220.4 1.0 N1 B:5IU4 4.3 259.2 1.0 N3 B:5IU4 4.3 257.4 1.0 N9 B:DA3 4.3 205.7 1.0 C5 B:DA3 4.5 194.6 1.0 C2' B:DA3 4.7 247.1 1.0 C4 B:DA3 4.7 201.0 1.0 C2 B:5IU4 4.8 261.2 1.0 N7 B:DA5 5.0 221.0 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.