Chlorine in PDB 7r47: Bovine Complex I in the Presence of IM1761092, Deactive Class III (Composite Map)

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

Iodine	(I)	2 atoms
Potassium	(K)	1 atom
Magnesium	(Mg)	1 atom
Zinc	(Zn)	1 atom
Iron	(Fe)	28 atoms

The binding sites of Chlorine atom in the Bovine Complex I in the Presence of IM1761092, Deactive Class III (Composite Map) (pdb code 7r47). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Bovine Complex I in the Presence of IM1761092, Deactive Class III (Composite Map), PDB code: 7r47:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Bovine Complex I in the Presence of IM1761092, Deactive Class III (Composite Map)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bovine Complex I in the Presence of IM1761092, Deactive Class III (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl602 b:50.4 occ:1.00 CL01 H:I49602 0.0 50.4 1.0 C12 H:I49602 1.7 50.4 1.0 C10 H:I49602 2.7 50.4 1.0 C13 H:I49602 2.7 50.4 1.0 O H:PRO48 2.9 36.1 1.0 I02 H:I49602 3.3 50.4 1.0 CA H:PRO48 3.6 36.1 1.0 C H:PRO48 3.6 36.1 1.0 CB H:PRO48 3.7 36.1 1.0 C07 H:I49602 4.0 50.4 1.0 C11 H:I49602 4.0 50.4 1.0 CB H:ALA52 4.0 38.3 1.0 N H:ALA52 4.1 38.3 1.0 CB H:ALA18 4.1 35.0 1.0 CA H:ALA18 4.1 35.0 1.0 O H:ALA18 4.2 35.0 1.0 OG1 H:THR21 4.2 38.1 1.0 CB H:ASP51 4.3 38.5 1.0 CA H:ALA52 4.4 38.3 1.0 C09 H:I49602 4.5 50.4 1.0 C H:ALA18 4.6 35.0 1.0 C H:ASP51 4.8 38.5 1.0 N H:ILE49 4.8 37.2 1.0 CG2 H:THR21 4.9 38.1 1.0 N H:PRO48 5.0 36.1 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bovine Complex I in the Presence of IM1761092, Deactive Class III (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ N:Cl904 b:55.8 occ:1.00 CL01 N:I49904 0.0 55.8 1.0 C12 N:I49904 1.7 55.8 1.0 C10 N:I49904 2.7 55.8 1.0 C13 N:I49904 2.7 55.8 1.0 I02 N:I49904 3.4 55.8 1.0 O d:MET82 3.7 43.1 1.0 CB d:ARG86 3.8 43.7 1.0 CA d:ARG86 4.0 43.7 1.0 C07 N:I49904 4.0 55.8 1.0 C11 N:I49904 4.0 55.8 1.0 N d:ARG86 4.1 43.7 1.0 CE d:MET82 4.3 43.1 1.0 CG1 d:VAL85 4.3 44.2 1.0 OE1 N:GLU347 4.5 44.5 1.0 C09 N:I49904 4.5 55.8 1.0 NE1 h:TRP122 4.6 45.4 1.0 CG d:ARG86 4.6 43.7 1.0 CB N:GLU347 4.7 44.5 1.0 C d:VAL85 4.7 44.2 1.0 CG N:GLU347 4.8 44.5 1.0 C d:MET82 4.8 43.1 1.0 CD N:GLU347 4.8 44.5 1.0 CB d:VAL85 4.9 44.2 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