Iridium in PDB 7w7j: Crystal Structure of Ircp* Immobilized Apo-R52H-Rhlfr (25 Equiv)

The structure of Crystal Structure of Ircp* Immobilized Apo-R52H-Rhlfr (25 Equiv), PDB code: 7w7j was solved by M.Taher, B.Maity, T.Nakane, S.Abe, S.Mazumdar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.09 / 1.50
Space group	F 4 3 2
Cell size a, b, c (Å), α, β, γ (°)	181.995, 181.995, 181.995, 90, 90, 90
R / Rfree (%)	18.3 / 21

The structure of Crystal Structure of Ircp* Immobilized Apo-R52H-Rhlfr (25 Equiv) also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Cadmium	(Cd)	5 atoms

The binding sites of Iridium atom in the Crystal Structure of Ircp* Immobilized Apo-R52H-Rhlfr (25 Equiv) (pdb code 7w7j). This binding sites where shown within 5.0 Angstroms radius around Iridium atom.
In total only one binding site of Iridium was determined in the Crystal Structure of Ircp* Immobilized Apo-R52H-Rhlfr (25 Equiv), PDB code: 7w7j:

Iridium binding site 1 out of 1 in the Crystal Structure of Ircp* Immobilized Apo-R52H-Rhlfr (25 Equiv)


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 1 of Crystal Structure of Ircp* Immobilized Apo-R52H-Rhlfr (25 Equiv) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ir202 b:21.8 occ:0.25 O A:HOH477 1.9 45.7 1.0 O A:HOH515 2.0 34.5 1.0 SG A:CYS48 2.1 17.8 1.0 O A:HOH501 2.6 41.6 1.0 O A:HOH384 3.1 30.3 1.0 CB A:CYS48 3.4 13.2 1.0 CE1 A:HIS49 3.4 19.9 0.5 ND1 A:HIS49 3.5 20.6 0.5 O A:HOH481 4.1 30.1 1.0 OD1 A:ASP38 4.2 14.9 1.0 C A:CYS48 4.4 10.6 1.0 CA A:CYS48 4.5 11.5 1.0 CB A:ASP38 4.5 11.3 1.0 CG A:ASP38 4.5 13.4 1.0 N A:HIS49 4.6 10.8 1.0 NE2 A:HIS49 4.6 20.4 0.5 CG A:HIS49 4.7 17.6 0.5 O A:CYS48 4.9 10.4 1.0 O A:GLU45 4.9 11.2 1.0 O A:HOH461 5.0 32.6 1.0

M.Taher, B.Maity, T.Nakane, S.Abe, T.Ueno, S.Mazumdar. Controlled Uptake of An Iridium Complex Inside Engineered Apo-Ferritin Nanocages: Study of Structure and Catalysis. Angew.Chem.Int.Ed.Engl. V. 61 16623 2022.
ISSN: ESSN 1521-3773
PubMed: 35005820
DOI: 10.1002/ANIE.202116623