Iodine in PDB 7r45: Bovine Complex I in the Presence of IM1761092, Deactive Class I (Composite Map)

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

Zinc	(Zn)	1 atom
Chlorine	(Cl)	2 atoms
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 I (Composite Map) (pdb code 7r45). 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 I (Composite Map), PDB code: 7r45:
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 I (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 I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ H:I602 b:56.7 occ:1.00 I02 H:I49602 0.0 56.7 1.0 C13 H:I49602 2.1 56.7 1.0 C12 H:I49602 3.0 56.7 1.0 C11 H:I49602 3.1 56.7 1.0 SD H:MET225 3.2 44.3 1.0 CL01 H:I49602 3.3 56.7 1.0 CG H:MET225 3.3 44.3 1.0 O H:ALA221 4.3 44.8 1.0 CB H:ALA221 4.3 44.8 1.0 C10 H:I49602 4.3 56.7 1.0 C09 H:I49602 4.4 56.7 1.0 CE H:MET225 4.4 44.3 1.0 CB H:ALA52 4.5 42.9 1.0 CB H:MET225 4.7 44.3 1.0 CA H:ALA52 4.8 42.9 1.0 C07 H:I49602 4.9 56.7 1.0 CA H:ALA221 4.9 44.8 1.0 C H:ALA221 4.9 44.8 1.0

Iodine binding site 2 out of 2 in the Bovine Complex I in the Presence of IM1761092, Deactive Class I (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 I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ N:I503 b:61.6 occ:1.00 I02 N:I49503 0.0 61.6 1.0 C13 N:I49503 2.1 61.6 1.0 C11 N:I49503 3.0 61.6 1.0 C12 N:I49503 3.1 61.6 1.0 O d:MET82 3.1 49.6 1.0 CL01 N:I49503 3.4 61.6 1.0 C d:MET82 3.6 49.6 1.0 CB d:MET82 3.7 49.6 1.0 CG N:GLU347 3.9 50.9 1.0 CB d:ARG86 3.9 49.7 1.0 CB N:SER344 4.0 47.0 1.0 CB N:GLU347 4.0 50.9 1.0 N d:TYR83 4.1 47.5 1.0 CD1 d:TYR83 4.2 47.5 1.0 CA d:MET82 4.2 49.6 1.0 C09 N:I49503 4.3 61.6 1.0 CA d:TYR83 4.4 47.5 1.0 C10 N:I49503 4.4 61.6 1.0 CE1 d:TYR83 4.4 47.5 1.0 CD N:GLU347 4.5 50.9 1.0 CE d:MET82 4.5 49.6 1.0 CG d:ARG86 4.6 49.7 1.0 O N:SER344 4.7 47.0 1.0 CD d:ARG86 4.7 49.7 1.0 OG N:SER344 4.7 47.0 1.0 CA N:SER344 4.8 47.0 1.0 CG d:TYR83 4.8 47.5 1.0 C07 N:I49503 4.8 61.6 1.0 CG d:MET82 4.9 49.6 1.0 N d:ARG86 4.9 49.7 1.0 CA d:ARG86 4.9 49.7 1.0 OE1 N:GLU347 5.0 50.9 1.0 OE2 N:GLU347 5.0 50.9 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