Iodine in PDB 8eg4: [Iu:Ag+:Iu] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice

The structure of [Iu:Ag+:Iu] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice, PDB code: 8eg4 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)	40.98 / 4.18
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	106.343, 106.343, 89.835, 90, 90, 120
R / Rfree (%)	28.7 / 35.4

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

Silver

(Ag)

1 atom

The binding sites of Iodine atom in the [Iu:Ag+:Iu] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice (pdb code 8eg4). 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:Ag+:Iu] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice, PDB code: 8eg4:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the [Iu:Ag+: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:Ag+: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:296.8 occ:1.00 I5 A:5IU12 0.0 296.8 1.0 C5 A:5IU12 2.1 291.2 1.0 C4 A:5IU12 3.1 291.4 1.0 C6 A:5IU12 3.1 287.4 1.0 O4 A:5IU12 3.2 294.6 1.0 C2 A:DT11 3.4 284.6 1.0 N1 A:DT11 3.4 286.2 1.0 N3 A:DT11 3.6 287.5 1.0 C2' A:DT11 3.6 282.5 1.0 C6 A:DT11 3.7 290.6 1.0 O2 A:DT11 3.8 280.9 1.0 C4 A:DT11 3.9 291.9 1.0 C5 A:DT11 4.0 293.5 1.0 C1' A:DT11 4.0 283.3 1.0 C7 A:DT13 4.3 280.8 1.0 OP1 A:5IU12 4.4 286.8 1.0 N3 A:5IU12 4.5 287.9 1.0 N1 A:5IU12 4.5 283.9 1.0 O4 A:DT13 4.6 287.9 1.0 O4 A:DT11 4.7 294.4 1.0 AG A:AG101 4.7 268.9 1.0 OP2 A:5IU12 4.7 293.7 1.0 C7 A:DT11 4.9 298.6 1.0

Iodine binding site 2 out of 2 in the [Iu:Ag+: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:Ag+: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:305.2 occ:1.00 I5 B:5IU4 0.0 305.2 1.0 C5 B:5IU4 2.1 306.9 1.0 C4 B:5IU4 3.1 305.9 1.0 C6 B:5IU4 3.1 309.4 1.0 O4 B:5IU4 3.2 304.2 1.0 N7 B:DA3 3.4 289.9 1.0 C8 B:DA3 3.6 291.4 1.0 C5 B:DA3 4.0 290.8 1.0 AG A:AG101 4.1 268.9 1.0 N9 B:DA3 4.3 293.3 1.0 N1 B:5IU4 4.5 310.8 1.0 N3 B:5IU4 4.5 307.1 1.0 C4 B:DA3 4.5 292.9 1.0 C6 B:DA3 4.7 290.1 1.0 N6 B:DA3 4.9 288.4 1.0 N6 B:DA5 4.9 297.2 1.0 C2' B:DA3 4.9 298.1 1.0

S.Vecchioni, B.Lu, W.Livernois, Y.P.Ohayon, J.B.Yoder, C.F.Yang, K.Woloszyn, W.Bernfeld, M.P.Anantram, J.W.Canary, W.A.Hendrickson, L.J.Rothschild, C.Mao, S.J.Wind, N.C.Seeman, R.Sha. Metal-Mediated Dna Nanotechnology in 3D: Structural Library By Templated Diffraction. Adv Mater 01938 2023.
ISSN: ISSN 1521-4095
PubMed: 36939292
DOI: 10.1002/ADMA.202201938