Iodine in PDB 7r48: Bovine Complex I in the Presence of IM1761092, Deactive Class IV (Composite Map)

All present enzymatic activity of Bovine Complex I in the Presence of IM1761092, Deactive Class IV (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 IV (Composite Map) also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Chlorine	(Cl)	2 atoms
Iron	(Fe)	28 atoms
Magnesium	(Mg)	1 atom
Potassium	(K)	1 atom

The binding sites of Iodine atom in the Bovine Complex I in the Presence of IM1761092, Deactive Class IV (Composite Map) (pdb code 7r48). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Bovine Complex I in the Presence of IM1761092, Deactive Class IV (Composite Map), PDB code: 7r48:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Bovine Complex I in the Presence of IM1761092, Deactive Class IV (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 IV (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ H:I403 b:56.3 occ:1.00 I02 H:I49403 0.0 56.3 1.0 C13 H:I49403 2.1 56.3 1.0 C12 H:I49403 3.0 56.3 1.0 C11 H:I49403 3.1 56.3 1.0 CL01 H:I49403 3.3 56.3 1.0 SD H:MET225 3.5 44.6 1.0 CG H:MET225 3.5 44.6 1.0 C10 H:I49403 4.3 56.3 1.0 C09 H:I49403 4.4 56.3 1.0 CB H:ALA52 4.5 44.5 1.0 CB H:ALA221 4.8 47.7 1.0 O H:ALA221 4.8 47.7 1.0 C07 H:I49403 4.9 56.3 1.0 CA H:ALA52 4.9 44.5 1.0 CB H:MET225 5.0 44.6 1.0

Iodine binding site 2 out of 2 in the Bovine Complex I in the Presence of IM1761092, Deactive Class IV (Composite Map)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Bovine Complex I in the Presence of IM1761092, Deactive Class IV (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ N:I504 b:56.5 occ:1.00 I02 N:I49504 0.0 56.5 1.0 C13 N:I49504 2.1 56.5 1.0 C11 N:I49504 3.0 56.5 1.0 C12 N:I49504 3.1 56.5 1.0 CL01 N:I49504 3.4 56.5 1.0 O d:MET82 3.6 44.3 1.0 CB N:SER344 3.6 42.2 1.0 CG N:GLU347 3.7 45.2 1.0 C d:MET82 3.8 44.3 1.0 CB d:MET82 3.9 44.3 1.0 CD N:GLU347 3.9 45.2 1.0 CD1 d:TYR83 3.9 42.8 1.0 CE1 d:TYR83 4.1 42.8 1.0 OE2 N:GLU347 4.1 45.2 1.0 CB d:ARG86 4.2 45.3 1.0 N d:TYR83 4.2 42.8 1.0 C09 N:I49504 4.3 56.5 1.0 C10 N:I49504 4.4 56.5 1.0 CA d:TYR83 4.4 42.8 1.0 CA N:SER344 4.5 42.2 1.0 CA d:MET82 4.5 44.3 1.0 OE1 N:GLU347 4.5 45.2 1.0 OG N:SER344 4.5 42.2 1.0 CB N:GLU347 4.5 45.2 1.0 CG d:TYR83 4.6 42.8 1.0 O N:SER344 4.6 42.2 1.0 CD d:ARG86 4.8 45.3 1.0 CZ d:TYR83 4.8 42.8 1.0 CG d:ARG86 4.8 45.3 1.0 C07 N:I49504 4.8 56.5 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