Gold in PDB 9d33: [Q:(AU3+):S_PH11] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice

The structure of [Q:(AU3+):S_PH11] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice, PDB code: 9d33 was solved by L.Imstepf, S.Vecchioni, R.Sha, Y.P.Ohayon, K.Woloszyn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.74 / 5.71
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	103.821, 103.821, 96.334, 90, 90, 120
R / Rfree (%)	17 / 21.8

The binding sites of Gold atom in the [Q:(AU3+):S_PH11] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice (pdb code 9d33). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total only one binding site of Gold was determined in the [Q:(AU3+):S_PH11] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice, PDB code: 9d33:

Gold binding site 1 out of 1 in the [Q:(AU3+):S_PH11] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of [Q:(AU3+):S_PH11] Metal-Mediated Dna Base Pair in A Self-Assembling Rhombohedral Lattice within 5.0Å range: probe atom residue distance (Å) B Occ B:Au101 b:89.0 occ:0.90 O4 B:IMC4 2.3 109.8 1.0 N6 B:DA3 2.5 103.1 1.0 S6 A:S6G12 2.6 68.6 1.0 C6 B:DA3 3.3 102.7 1.0 C4 B:IMC4 3.6 108.9 1.0 O4 A:DT11 3.6 143.7 1.0 C5 B:DA3 3.7 114.6 1.0 N7 B:DA3 3.7 122.3 1.0 N3 B:IMC4 4.2 107.5 1.0 C4 A:DT11 4.2 146.2 1.0 N1 B:DA3 4.2 89.0 1.0 N6 B:DA5 4.3 130.7 1.0 C6 A:S6G12 4.4 77.9 1.0 C5 B:IMC4 4.6 118.0 1.0 N1 B:DA5 4.7 102.3 1.0 C6 B:DA5 4.7 111.7 1.0 O4 A:DT13 4.7 124.6 1.0 N3 A:DT11 4.8 141.4 1.0 C5M B:IMC4 4.8 177.2 1.0 C5 A:DT11 4.8 174.8 1.0 C8 B:DA3 4.8 120.2 1.0 C4 B:DA3 4.9 117.5 1.0 C7 A:DT11 4.9 186.4 1.0

L.Imstepf, S.Vecchioni. Thioguanine Metal Base Pairs To Be Published.