Iodine in PDB 7r46: Bovine Complex I in the Presence of IM1761092, Deactive Class II (Composite Map)

All present enzymatic activity of Bovine Complex I in the Presence of IM1761092, Deactive Class II (Composite Map):
1.6.5.3; 1.6.99.3; 7.1.1.2;

The structure of Bovine Complex I in the Presence of IM1761092, Deactive Class II (Composite Map) also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Chlorine	(Cl)	1 atom
Iron	(Fe)	28 atoms
Potassium	(K)	1 atom
Magnesium	(Mg)	1 atom

The binding sites of Iodine atom in the Bovine Complex I in the Presence of IM1761092, Deactive Class II (Composite Map) (pdb code 7r46). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Bovine Complex I in the Presence of IM1761092, Deactive Class II (Composite Map), PDB code: 7r46:

Iodine binding site 1 out of 1 in the Bovine Complex I in the Presence of IM1761092, Deactive Class II (Composite Map)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Bovine Complex I in the Presence of IM1761092, Deactive Class II (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ H:I602 b:55.8 occ:1.00 I02 H:I49602 0.0 55.8 1.0 C13 H:I49602 2.1 55.8 1.0 C12 H:I49602 3.0 55.8 1.0 C11 H:I49602 3.1 55.8 1.0 CL01 H:I49602 3.3 55.8 1.0 CG H:MET225 3.8 45.4 1.0 CD1 H:PHE224 4.1 47.2 1.0 CD1 H:LEU55 4.3 44.6 1.0 C10 H:I49602 4.3 55.8 1.0 CB H:ALA221 4.4 46.6 1.0 C09 H:I49602 4.4 55.8 1.0 O H:ALA221 4.4 46.6 1.0 SD H:MET225 4.5 45.4 1.0 CA H:ALA221 4.5 46.6 1.0 CE1 H:PHE224 4.7 47.2 1.0 C07 H:I49602 4.9 55.8 1.0 C H:ALA221 4.9 46.6 1.0 CG H:PHE224 4.9 47.2 1.0 CB H:PHE224 5.0 47.2 1.0 CA H:ALA52 5.0 44.4 1.0

H.R.Bridges, J.N.Blaza, Z.Yin, I.Chung, M.N.Pollak, J.Hirst. Structural Basis of Mammalian Respiratory Complex I Inhibition By Medicinal Biguanides. Science V. 379 351 2023.
ISSN: ESSN 1095-9203
PubMed: 36701435
DOI: 10.1126/SCIENCE.ADE3332