Iridium in PDB 7ylk: Myoglobin Containing Ir Complex

The structure of Myoglobin Containing Ir Complex, PDB code: 7ylk was solved by J.H.Lee, W.J.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.58 / 1.63
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.402, 57.882, 76.09, 90, 90, 90
R / Rfree (%)	19.2 / 23.3

The structure of Myoglobin Containing Ir Complex also contains other interesting chemical elements:

Fluorine

(F)

8 atoms

The binding sites of Iridium atom in the Myoglobin Containing Ir Complex (pdb code 7ylk). This binding sites where shown within 5.0 Angstroms radius around Iridium atom.
In total 2 binding sites of Iridium where determined in the Myoglobin Containing Ir Complex, PDB code: 7ylk:
Jump to Iridium binding site number: 1; 2;

Iridium binding site 1 out of 2 in the Myoglobin Containing Ir Complex


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 1 of Myoglobin Containing Ir Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ir201 b:31.6 occ:0.50 IR2 A:KKC201 0.0 31.6 0.5 IR1 A:IRQ202 1.0 23.8 0.5 N05 A:IRQ202 1.1 25.7 0.5 C19 A:KKC201 2.0 26.2 0.5 C07 A:KKC201 2.0 29.8 0.5 C22 A:IRQ202 2.0 29.5 0.5 N39 A:KKC201 2.0 26.4 0.5 N40 A:KKC201 2.1 24.9 0.5 N37 A:KKC201 2.1 26.7 0.5 N38 A:KKC201 2.1 27.4 0.5 N03 A:IRQ202 2.2 26.0 0.5 C26 A:IRQ202 2.2 30.0 0.5 C32 A:IRQ202 2.3 28.2 0.5 N02 A:IRQ202 2.3 26.5 0.5 C21 A:IRQ202 2.4 29.4 0.5 C27 A:IRQ202 2.7 28.1 0.5 C25 A:KKC201 2.9 29.3 0.5 C13 A:KKC201 2.9 26.0 0.5 C20 A:KKC201 2.9 30.5 0.5 C33 A:KKC201 2.9 27.0 0.5 C08 A:KKC201 2.9 29.4 0.5 C05 A:KKC201 2.9 29.1 0.5 C06 A:IRQ202 3.0 29.7 0.5 C12 A:KKC201 3.0 30.7 0.5 C30 A:KKC201 3.0 30.0 0.5 C05 A:IRQ202 3.0 30.3 0.5 C24 A:KKC201 3.0 28.3 0.5 C32 A:KKC201 3.0 29.1 0.5 C06 A:KKC201 3.0 28.0 0.5 N04 A:IRQ202 3.1 27.0 0.5 C20 A:IRQ202 3.1 30.0 0.5 C18 A:KKC201 3.1 28.8 0.5 C10 A:IRQ202 3.1 28.4 0.5 C01 A:IRQ202 3.3 27.6 0.5 C23 A:IRQ202 3.3 30.4 0.5 C25 A:IRQ202 3.4 29.3 0.5 C31 A:IRQ202 3.6 28.1 0.5 C16 A:IRQ202 3.6 27.2 0.5 C24 A:IRQ202 3.8 29.3 0.5 C15 A:IRQ202 3.9 30.6 0.5 C11 A:IRQ202 4.0 31.0 0.5 C28 A:IRQ202 4.1 30.1 0.5 C14 A:KKC201 4.2 27.2 0.5 C26 A:KKC201 4.2 31.7 0.5 C21 A:KKC201 4.2 30.9 0.5 C34 A:KKC201 4.2 29.9 0.5 C07 A:IRQ202 4.2 31.7 0.5 C09 A:KKC201 4.3 26.9 0.5 C16 A:KKC201 4.3 26.5 0.5 C36 A:KKC201 4.3 30.4 0.5 C29 A:KKC201 4.3 32.6 0.5 C09 A:IRQ202 4.3 32.6 0.5 C17 A:KKC201 4.3 28.3 0.5 C11 A:KKC201 4.3 28.7 0.5 C04 A:IRQ202 4.3 31.1 0.5 C31 A:KKC201 4.3 31.3 0.5 C23 A:KKC201 4.4 29.6 0.5 C19 A:IRQ202 4.4 29.2 0.5 C02 A:IRQ202 4.5 29.5 0.5 O02 A:IRQ202 4.5 32.2 0.5 C30 A:IRQ202 4.7 31.2 0.5 C08 A:IRQ202 4.8 33.9 0.5 C28 A:KKC201 4.8 33.7 0.5 C10 A:KKC201 4.8 32.5 0.5 C22 A:KKC201 4.8 29.7 0.5 C15 A:KKC201 4.8 29.5 0.5 C35 A:KKC201 4.8 27.9 0.5 C17 A:IRQ202 4.8 29.6 0.5 C27 A:KKC201 4.8 28.4 0.5 O02 A:KKC201 4.9 31.1 0.5 C29 A:IRQ202 4.9 30.0 0.5 F02 A:IRQ202 4.9 33.7 0.5 C03 A:IRQ202 4.9 29.7 0.5

Iridium binding site 2 out of 2 in the Myoglobin Containing Ir Complex


Mono view


Stereo pair view

A full contact list of Iridium with other atoms in the Ir binding site number 2 of Myoglobin Containing Ir Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ir202 b:23.8 occ:0.50 IR1 A:IRQ202 0.0 23.8 0.5 IR2 A:KKC201 1.0 31.6 0.5 N37 A:KKC201 1.2 26.7 0.5 C32 A:IRQ202 2.0 28.2 0.5 C21 A:IRQ202 2.0 29.4 0.5 N05 A:IRQ202 2.0 25.7 0.5 N04 A:IRQ202 2.1 27.0 0.5 C32 A:KKC201 2.1 29.1 0.5 N39 A:KKC201 2.1 26.4 0.5 C19 A:KKC201 2.1 26.2 0.5 N02 A:IRQ202 2.1 26.5 0.5 N03 A:IRQ202 2.1 26.0 0.5 N40 A:KKC201 2.3 24.9 0.5 C05 A:KKC201 2.4 29.1 0.5 C07 A:KKC201 2.4 29.8 0.5 C18 A:KKC201 2.8 28.8 0.5 C33 A:KKC201 2.8 27.0 0.5 C27 A:IRQ202 2.9 28.1 0.5 C20 A:KKC201 2.9 30.5 0.5 C16 A:IRQ202 2.9 27.2 0.5 C26 A:IRQ202 2.9 30.0 0.5 C15 A:IRQ202 2.9 30.6 0.5 N38 A:KKC201 3.0 27.4 0.5 C24 A:KKC201 3.0 28.3 0.5 C06 A:IRQ202 3.0 29.7 0.5 C05 A:IRQ202 3.0 30.3 0.5 C25 A:KKC201 3.0 29.3 0.5 C22 A:IRQ202 3.0 29.5 0.5 C11 A:IRQ202 3.0 31.0 0.5 C31 A:IRQ202 3.1 28.1 0.5 C20 A:IRQ202 3.1 30.0 0.5 C10 A:IRQ202 3.1 28.4 0.5 C01 A:IRQ202 3.1 27.6 0.5 C30 A:KKC201 3.3 30.0 0.5 C13 A:KKC201 3.3 26.0 0.5 C31 A:KKC201 3.4 31.3 0.5 C16 A:KKC201 3.6 26.5 0.5 C06 A:KKC201 3.7 28.0 0.5 C08 A:KKC201 3.7 29.4 0.5 C12 A:KKC201 4.0 30.7 0.5 C27 A:KKC201 4.0 28.4 0.5 C17 A:KKC201 4.1 28.3 0.5 C21 A:KKC201 4.2 30.9 0.5 C34 A:KKC201 4.2 29.9 0.5 C25 A:IRQ202 4.2 29.3 0.5 C14 A:IRQ202 4.3 30.8 0.5 C23 A:KKC201 4.3 29.6 0.5 C28 A:IRQ202 4.3 30.1 0.5 C17 A:IRQ202 4.3 29.6 0.5 C23 A:IRQ202 4.3 30.4 0.5 C07 A:IRQ202 4.3 31.7 0.5 C04 A:IRQ202 4.3 31.1 0.5 C26 A:KKC201 4.3 31.7 0.5 C30 A:IRQ202 4.3 31.2 0.5 C12 A:IRQ202 4.3 30.9 0.5 C19 A:IRQ202 4.4 29.2 0.5 C09 A:IRQ202 4.4 32.6 0.5 C02 A:IRQ202 4.4 29.5 0.5 C14 A:KKC201 4.5 27.2 0.5 C29 A:KKC201 4.5 32.6 0.5 C22 A:KKC201 4.7 29.7 0.5 C36 A:KKC201 4.8 30.4 0.5 C24 A:IRQ202 4.8 29.3 0.5 C29 A:IRQ202 4.8 30.0 0.5 O02 A:IRQ202 4.8 32.2 0.5 C13 A:IRQ202 4.8 31.5 0.5 C18 A:IRQ202 4.8 28.0 0.5 C15 A:KKC201 4.9 29.5 0.5 C08 A:IRQ202 4.9 33.9 0.5 C03 A:IRQ202 4.9 29.7 0.5 C28 A:KKC201 4.9 33.7 0.5

J.Lee, W.J.Song. Photocatalytic C-O Coupling Enzymes That Operate Via Intramolecular Electron Transfer. J.Am.Chem.Soc. 2023.
ISSN: ESSN 1520-5126
PubMed: 36825656
DOI: 10.1021/JACS.2C12226