Iridium in PDB 8aqx: Streptavidin Mutant S112I with An Iridium Catalyst For Ch Activation

The structure of Streptavidin Mutant S112I with An Iridium Catalyst For Ch Activation, PDB code: 8aqx was solved by N.V.Igareta, T.R.Ward, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.19 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	114.885, 88.831, 57.835, 90, 97.3, 90
R / Rfree (%)	17.3 / 21.1

The structure of Streptavidin Mutant S112I with An Iridium Catalyst For Ch Activation also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iridium atom in the Streptavidin Mutant S112I with An Iridium Catalyst For Ch Activation (pdb code 8aqx). This binding sites where shown within 5.0 Angstroms radius around Iridium atom.
In total 4 binding sites of Iridium where determined in the Streptavidin Mutant S112I with An Iridium Catalyst For Ch Activation, PDB code: 8aqx:
Jump to Iridium binding site number: 1; 2; 3; 4;

Iridium binding site 1 out of 4 in the Streptavidin Mutant S112I with An Iridium Catalyst For Ch Activation


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 1 of Streptavidin Mutant S112I with An Iridium Catalyst For Ch Activation within 5.0Å range: probe atom residue distance (Å) B Occ A:Ir201 b:51.5 occ:0.80 IR1 A:NOF201 0.0 51.5 0.8 N5 A:NOF201 2.1 49.7 1.0 N1 A:NOF201 2.1 42.0 1.0 C5 A:NOF201 2.2 58.5 0.8 C7 A:NOF201 2.2 65.5 0.8 C1 A:NOF201 2.2 59.1 0.8 C3 A:NOF201 2.2 58.4 0.8 C9 A:NOF201 2.3 63.6 0.8 CL46 A:NOF201 2.7 69.3 0.8 C12 A:NOF201 2.9 31.8 1.0 C11 A:NOF201 2.9 37.3 1.0 C10 A:NOF201 3.0 61.2 0.8 C30 A:NOF201 3.1 55.4 1.0 C18 A:NOF201 3.2 40.9 1.0 C6 A:NOF201 3.3 53.8 0.8 C8 A:NOF201 3.3 66.9 0.8 C2 A:NOF201 3.3 59.5 0.8 O3 A:NOF201 3.3 67.5 1.0 C4 A:NOF201 3.4 55.5 0.8 C14 A:NOF201 4.3 33.0 1.0 C13 A:NOF201 4.4 35.1 1.0 O4 A:NOF201 4.4 64.4 1.0 C19 A:NOF201 4.5 40.4 1.0 CD1 A:ILE112 4.6 39.2 1.0 C17 A:NOF201 4.9 35.2 1.0

Iridium binding site 2 out of 4 in the Streptavidin Mutant S112I with An Iridium Catalyst For Ch Activation


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 2 of Streptavidin Mutant S112I with An Iridium Catalyst For Ch Activation within 5.0Å range: probe atom residue distance (Å) B Occ B:Ir201 b:66.7 occ:0.60 IR1 B:NOF201 0.0 66.7 0.6 N1 B:NOF201 2.1 82.8 1.0 N5 B:NOF201 2.1 86.1 1.0 C1 B:NOF201 2.2 74.3 0.6 C7 B:NOF201 2.2 75.5 0.6 C9 B:NOF201 2.2 76.3 0.6 C5 B:NOF201 2.2 70.3 0.6 C3 B:NOF201 2.2 69.3 0.6 CL46 B:NOF201 2.8 77.2 0.6 C12 B:NOF201 2.9 71.8 1.0 C11 B:NOF201 3.0 76.0 1.0 C18 B:NOF201 3.2 77.1 1.0 C10 B:NOF201 3.3 76.6 0.6 C30 B:NOF201 3.3 99.8 1.0 C2 B:NOF201 3.3 73.2 0.6 C8 B:NOF201 3.3 71.3 0.6 C6 B:NOF201 3.3 66.8 0.6 C4 B:NOF201 3.4 73.0 0.6 O3 B:NOF201 3.5 107.8 1.0 C14 B:NOF201 4.4 70.4 1.0 C13 B:NOF201 4.4 66.4 1.0 O4 B:NOF201 4.5 117.7 1.0 C19 B:NOF201 4.5 77.3 1.0 C9 A:NOF201 4.9 63.6 0.8 C17 B:NOF201 5.0 72.1 1.0

Iridium binding site 3 out of 4 in the Streptavidin Mutant S112I with An Iridium Catalyst For Ch Activation


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 3 of Streptavidin Mutant S112I with An Iridium Catalyst For Ch Activation within 5.0Å range: probe atom residue distance (Å) B Occ C:Ir201 b:65.7 occ:0.60 IR1 C:NOF201 0.0 65.7 0.6 C9 C:NOF201 2.1 88.5 1.0 N1 C:NOF201 2.1 66.3 1.0 N5 C:NOF201 2.1 77.7 1.0 C1 C:NOF201 2.2 76.1 0.6 C7 C:NOF201 2.2 77.7 0.6 C5 C:NOF201 2.2 72.1 0.6 C3 C:NOF201 2.2 70.1 0.6 CL46 C:NOF201 2.7 77.1 0.6 C10 C:NOF201 2.7 84.0 0.6 C12 C:NOF201 2.9 56.9 1.0 C11 C:NOF201 3.0 61.1 1.0 C30 C:NOF201 3.1 82.1 1.0 C18 C:NOF201 3.2 58.7 1.0 C2 C:NOF201 3.2 71.2 0.6 C8 C:NOF201 3.3 77.8 0.6 C6 C:NOF201 3.3 72.5 0.6 O3 C:NOF201 3.3 75.2 1.0 C4 C:NOF201 3.4 65.6 0.6 O4 C:NOF201 4.0 105.6 1.0 C14 C:NOF201 4.4 43.4 1.0 C13 C:NOF201 4.4 54.0 1.0 C9 D:NOF201 4.5 78.8 0.6 C19 C:NOF201 4.5 57.7 1.0 C1 D:NOF201 4.8 74.0 0.6 C10 D:NOF201 4.9 78.4 0.6 C2 D:NOF201 4.9 75.2 0.6 C17 C:NOF201 5.0 52.4 1.0

Iridium binding site 4 out of 4 in the Streptavidin Mutant S112I with An Iridium Catalyst For Ch Activation


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 4 of Streptavidin Mutant S112I with An Iridium Catalyst For Ch Activation within 5.0Å range: probe atom residue distance (Å) B Occ D:Ir201 b:64.2 occ:0.60 IR1 D:NOF201 0.0 64.2 0.6 N1 D:NOF201 2.1 64.4 1.0 N5 D:NOF201 2.1 79.9 1.0 C9 D:NOF201 2.1 78.8 0.6 C1 D:NOF201 2.2 74.0 0.6 C7 D:NOF201 2.2 72.7 0.6 C5 D:NOF201 2.2 72.5 0.6 C3 D:NOF201 2.2 72.2 0.6 C10 D:NOF201 2.8 78.4 0.6 CL46 D:NOF201 2.8 68.8 0.6 C30 D:NOF201 2.8 96.4 1.0 C12 D:NOF201 2.9 61.9 1.0 C11 D:NOF201 3.0 61.6 1.0 O3 D:NOF201 3.0 81.0 1.0 C18 D:NOF201 3.2 58.8 1.0 C8 D:NOF201 3.3 70.2 0.6 C6 D:NOF201 3.3 70.9 0.6 C2 D:NOF201 3.3 75.2 0.6 C4 D:NOF201 3.4 67.8 0.6 O4 D:NOF201 3.6 113.5 1.0 C14 D:NOF201 4.4 53.5 1.0 C13 D:NOF201 4.4 58.9 1.0 C19 D:NOF201 4.5 56.6 1.0 C9 C:NOF201 4.5 88.5 1.0 C31 D:NOF201 4.7 120.4 1.0 C33 D:NOF201 4.7 118.0 1.0 C1 C:NOF201 4.7 76.1 0.6 C2 C:NOF201 4.9 71.2 0.6 C10 C:NOF201 5.0 84.0 0.6

N.V.Igareta, T.R.Ward. Streptavidin Mutant S112I with An Iridium Catalyst For Ch Activation To Be Published.