Iridium in PDB 8ojx: Streptavidin S112YK121E Artificial Metalloenzyme For Carboamination

The structure of Streptavidin S112YK121E Artificial Metalloenzyme For Carboamination, PDB code: 8ojx 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)	46.04 / 1.60
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.552, 57.552, 183.993, 90, 90, 90
R / Rfree (%)	17.1 / 19.7

The structure of Streptavidin S112YK121E Artificial Metalloenzyme For Carboamination also contains other interesting chemical elements:

Rhodium	(Rh)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Iridium atom in the Streptavidin S112YK121E Artificial Metalloenzyme For Carboamination (pdb code 8ojx). This binding sites where shown within 5.0 Angstroms radius around Iridium atom.
In total 3 binding sites of Iridium where determined in the Streptavidin S112YK121E Artificial Metalloenzyme For Carboamination, PDB code: 8ojx:
Jump to Iridium binding site number: 1; 2; 3;

Iridium binding site 1 out of 3 in the Streptavidin S112YK121E Artificial Metalloenzyme For Carboamination


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 1 of Streptavidin S112YK121E Artificial Metalloenzyme For Carboamination within 5.0Å range: probe atom residue distance (Å) B Occ A:Ir202 b:95.1 occ:0.70 HE2 A:HIS87 1.6 26.6 0.0 NE2 A:HIS87 2.4 26.6 1.0 CD2 A:HIS87 3.3 30.4 1.0 CE1 A:HIS87 3.3 31.5 1.0 HD2 A:HIS87 3.4 28.4 1.0 HE1 A:HIS87 3.5 29.2 1.0 CG A:HIS87 4.4 26.1 1.0 ND1 A:HIS87 4.4 27.1 1.0 O A:HOH347 4.6 52.8 1.0

Iridium binding site 2 out of 3 in the Streptavidin S112YK121E Artificial Metalloenzyme For Carboamination


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 2 of Streptavidin S112YK121E Artificial Metalloenzyme For Carboamination within 5.0Å range: probe atom residue distance (Å) B Occ A:Ir203 b:45.1 occ:0.30 HE1 A:HIS127 1.8 30.7 1.0 CE1 A:HIS127 2.5 29.8 1.0 ND1 A:HIS127 3.3 31.1 1.0 HD1 A:HIS127 3.4 31.2 0.0 NE2 A:HIS127 3.5 32.3 1.0 O A:HOH368 3.6 32.3 1.0 HE2 A:HIS127 3.8 32.3 0.0 O A:HOH370 4.2 52.8 1.0 O A:HOH367 4.4 50.4 1.0 CG A:HIS127 4.5 24.9 1.0 CD2 A:HIS127 4.6 32.4 1.0 H A:HIS127 4.8 19.9 1.0 HA2 A:GLY126 4.9 19.3 1.0

Iridium binding site 3 out of 3 in the Streptavidin S112YK121E Artificial Metalloenzyme For Carboamination


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 3 of Streptavidin S112YK121E Artificial Metalloenzyme For Carboamination within 5.0Å range: probe atom residue distance (Å) B Occ A:Ir204 b:37.0 occ:0.45 HE2 A:HIS127 1.8 32.3 0.0 O A:HOH367 2.1 50.4 1.0 NE2 A:HIS127 2.5 32.3 1.0 HD2 A:HIS127 2.9 30.4 1.0 CD2 A:HIS127 3.0 32.4 1.0 O A:HOH320 3.5 27.7 1.0 O A:HOH370 3.7 52.8 1.0 CE1 A:HIS127 3.7 29.8 1.0 HE1 A:HIS127 4.1 30.7 1.0 CG A:HIS127 4.3 24.9 1.0 ND1 A:HIS127 4.6 31.1 1.0

N.V.Igareta, N.V.Igareta, T.R.Ward. N/A N/A.