Iron 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
Iodine	(I)	2 atoms
Potassium	(K)	1 atom
Magnesium	(Mg)	1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Iron 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 Iron atom.
In total 28 binding sites of Iron where determined in the Bovine Complex I in the Presence of IM1761092, Deactive Class I (Composite Map), PDB code: 7r45:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 28 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 Iron with other atoms in the Fe 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 B:Fe201 b:30.2 occ:1.00 FE1 B:SF4201 0.0 30.2 1.0 SG B:CYS119 2.3 27.2 1.0 S3 B:SF4201 2.3 30.2 1.0 S4 B:SF4201 2.3 30.2 1.0 S2 B:SF4201 2.3 30.2 1.0 FE2 B:SF4201 2.7 30.2 1.0 FE3 B:SF4201 2.7 30.2 1.0 FE4 B:SF4201 2.7 30.2 1.0 CB B:CYS119 3.2 27.2 1.0 O B:HOH345 3.5 26.4 1.0 OG1 B:THR91 3.9 30.2 1.0 S1 B:SF4201 3.9 30.2 1.0 O B:HOH327 4.0 27.6 1.0 N B:CYS119 4.0 27.2 1.0 CA B:CYS119 4.2 27.2 1.0 SG B:CYS149 4.4 26.5 1.0 CQ2 D:2MR85 4.5 30.5 1.0 CE2 B:TYR126 4.7 27.5 1.0 N B:THR91 4.7 30.2 1.0 SG B:CYS55 4.8 29.6 1.0 SG B:CYS54 4.9 30.0 1.0

Iron binding site 2 out of 28 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 Iron with other atoms in the Fe 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 B:Fe201 b:30.2 occ:1.00 FE2 B:SF4201 0.0 30.2 1.0 SG B:CYS149 2.3 26.5 1.0 S1 B:SF4201 2.3 30.2 1.0 S4 B:SF4201 2.3 30.2 1.0 S3 B:SF4201 2.3 30.2 1.0 FE4 B:SF4201 2.7 30.2 1.0 FE1 B:SF4201 2.7 30.2 1.0 FE3 B:SF4201 2.7 30.2 1.0 CA B:CYS149 3.4 26.5 1.0 CB B:CYS149 3.4 26.5 1.0 C B:CYS149 3.6 26.5 1.0 O B:HOH345 3.7 26.4 1.0 S2 B:SF4201 3.9 30.2 1.0 O B:CYS149 4.0 26.5 1.0 N B:PRO150 4.0 28.6 1.0 NE D:ARG105 4.2 28.0 1.0 CD2 D:HIS190 4.3 29.5 1.0 NE2 D:HIS190 4.4 29.5 1.0 CA B:PRO150 4.5 28.6 1.0 SG B:CYS55 4.7 29.6 1.0 SG B:CYS119 4.7 27.2 1.0 NH2 D:ARG105 4.7 28.0 1.0 N B:CYS149 4.7 26.5 1.0 SG B:CYS54 4.8 30.0 1.0 CD B:PRO150 4.8 28.6 1.0 O B:GLY148 4.8 26.7 1.0 CZ D:ARG105 4.9 28.0 1.0 CD D:ARG105 5.0 28.0 1.0 CB B:PRO150 5.0 28.6 1.0

Iron binding site 3 out of 28 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 Iron with other atoms in the Fe binding site number 3 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 B:Fe201 b:30.2 occ:1.00 FE3 B:SF4201 0.0 30.2 1.0 SG B:CYS54 2.3 30.0 1.0 S1 B:SF4201 2.3 30.2 1.0 S4 B:SF4201 2.3 30.2 1.0 S2 B:SF4201 2.3 30.2 1.0 FE4 B:SF4201 2.7 30.2 1.0 FE1 B:SF4201 2.7 30.2 1.0 FE2 B:SF4201 2.7 30.2 1.0 CB B:CYS54 3.2 30.0 1.0 CQ2 D:2MR85 3.7 30.5 1.0 NE2 D:HIS190 3.8 29.5 1.0 N B:CYS54 3.9 30.0 1.0 S3 B:SF4201 3.9 30.2 1.0 CA B:CYS54 4.0 30.0 1.0 N B:CYS55 4.1 29.6 1.0 CG D:ARG105 4.4 28.0 1.0 C B:CYS54 4.4 30.0 1.0 CD2 D:HIS190 4.6 29.5 1.0 CB B:ALA53 4.7 31.1 1.0 SG B:CYS119 4.8 27.2 1.0 SG B:CYS149 4.8 26.5 1.0 SG B:CYS55 4.8 29.6 1.0 NH2 D:2MR85 4.8 30.5 1.0 CE1 D:HIS190 4.9 29.5 1.0 NE D:ARG105 4.9 28.0 1.0 C B:ALA53 5.0 31.1 1.0

Iron binding site 4 out of 28 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 Iron with other atoms in the Fe binding site number 4 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 B:Fe201 b:30.2 occ:1.00 FE4 B:SF4201 0.0 30.2 1.0 SG B:CYS55 2.3 29.6 1.0 S2 B:SF4201 2.3 30.2 1.0 S1 B:SF4201 2.3 30.2 1.0 S3 B:SF4201 2.3 30.2 1.0 FE2 B:SF4201 2.7 30.2 1.0 FE3 B:SF4201 2.7 30.2 1.0 FE1 B:SF4201 2.7 30.2 1.0 CB B:CYS55 3.3 29.6 1.0 N B:CYS55 3.6 29.6 1.0 O B:HOH327 3.7 27.6 1.0 CA B:CYS55 3.8 29.6 1.0 S4 B:SF4201 3.9 30.2 1.0 CB B:PRO150 4.3 28.6 1.0 CA B:PRO150 4.3 28.6 1.0 C B:CYS54 4.5 30.0 1.0 CA B:GLY117 4.7 27.5 1.0 SG B:CYS54 4.7 30.0 1.0 N B:PRO150 4.7 28.6 1.0 CA B:GLY90 4.7 29.9 1.0 CB B:CYS54 4.7 30.0 1.0 CA B:CYS149 4.8 26.5 1.0 SG B:CYS119 4.8 27.2 1.0 SG B:CYS149 4.8 26.5 1.0 N B:CYS54 4.9 30.0 1.0 CA B:CYS54 5.0 30.0 1.0 C B:CYS149 5.0 26.5 1.0

Iron binding site 5 out of 28 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 Iron with other atoms in the Fe binding site number 5 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 E:Fe301 b:49.4 occ:1.00 FE1 E:FES301 0.0 49.4 1.0 S2 E:FES301 2.2 49.4 1.0 S1 E:FES301 2.2 49.4 1.0 SG E:CYS103 2.3 46.4 1.0 SG E:CYS108 2.3 47.0 1.0 FE2 E:FES301 2.7 49.4 1.0 CB E:CYS108 3.2 47.0 1.0 CB E:CYS103 3.3 46.4 1.0 N E:CYS108 4.1 47.0 1.0 CA E:CYS144 4.1 44.0 1.0 CA E:CYS108 4.2 47.0 1.0 N E:LEU145 4.3 45.9 1.0 SG E:CYS144 4.5 44.0 1.0 CA E:CYS103 4.6 46.4 1.0 CB E:CYS144 4.6 44.0 1.0 C E:CYS103 4.7 46.4 1.0 SG E:CYS148 4.8 47.9 1.0 CA E:CYS148 4.8 47.9 1.0 C E:CYS144 4.8 44.0 1.0 CG E:MET153 4.8 50.0 1.0 N E:THR105 4.9 44.3 1.0 O E:CYS103 4.9 46.4 1.0 CB E:THR105 4.9 44.3 1.0 O E:THR105 4.9 44.3 1.0

Iron binding site 6 out of 28 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 Iron with other atoms in the Fe binding site number 6 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 E:Fe301 b:49.4 occ:1.00 FE2 E:FES301 0.0 49.4 1.0 S1 E:FES301 2.2 49.4 1.0 S2 E:FES301 2.2 49.4 1.0 SG E:CYS144 2.3 44.0 1.0 SG E:CYS148 2.3 47.9 1.0 FE1 E:FES301 2.7 49.4 1.0 CB E:CYS144 3.3 44.0 1.0 CB E:CYS148 3.3 47.9 1.0 CA E:CYS148 3.7 47.9 1.0 CA E:CYS144 3.7 44.0 1.0 N E:CYS148 3.8 47.9 1.0 N E:LEU145 3.9 45.9 1.0 N E:GLY146 4.1 46.4 1.0 C E:CYS144 4.2 44.0 1.0 N F:GLY103 4.3 45.9 1.0 N E:ALA147 4.3 48.3 1.0 SG E:CYS103 4.3 46.4 1.0 C E:ALA147 4.5 48.3 1.0 SG E:CYS108 4.5 47.0 1.0 CB E:PRO107 4.7 45.7 1.0 CA E:GLY146 4.8 46.4 1.0 CG E:PRO107 4.8 45.7 1.0 CA F:PRO102 4.8 43.5 1.0 C E:GLY146 5.0 46.4 1.0 C E:LEU145 5.0 45.9 1.0

Iron binding site 7 out of 28 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 Iron with other atoms in the Fe binding site number 7 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 F:Fe502 b:35.3 occ:1.00 FE1 F:SF4502 0.0 35.3 1.0 S3 F:SF4502 2.3 35.3 1.0 S4 F:SF4502 2.3 35.3 1.0 SG F:CYS362 2.3 30.9 1.0 S2 F:SF4502 2.3 35.3 1.0 FE2 F:SF4502 2.7 35.3 1.0 FE4 F:SF4502 2.8 35.3 1.0 FE3 F:SF4502 2.8 35.3 1.0 CB F:CYS362 3.4 30.9 1.0 N F:CYS362 3.7 30.9 1.0 S1 F:SF4502 3.9 35.3 1.0 CA F:CYS362 4.1 30.9 1.0 CB F:CYS365 4.1 32.4 1.0 N F:ILE404 4.2 32.2 1.0 O F:CYS362 4.3 30.9 1.0 CB F:ILE404 4.3 32.2 1.0 CB F:THR403 4.4 33.2 1.0 SG F:CYS365 4.5 32.4 1.0 C F:CYS362 4.6 30.9 1.0 N F:CYS405 4.6 34.0 1.0 CB F:GLN361 4.7 32.8 1.0 C F:GLN361 4.8 32.8 1.0 SG F:CYS359 4.8 34.0 1.0 CD1 F:ILE404 4.8 32.2 1.0 CG1 F:ILE404 4.8 32.2 1.0 CA F:ILE404 4.8 32.2 1.0 N F:GLN361 4.8 32.8 1.0 SG F:CYS405 4.9 34.0 1.0 CG2 F:THR403 4.9 33.2 1.0

Iron binding site 8 out of 28 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 Iron with other atoms in the Fe binding site number 8 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 F:Fe502 b:35.3 occ:1.00 FE2 F:SF4502 0.0 35.3 1.0 SG F:CYS365 2.2 32.4 1.0 S4 F:SF4502 2.3 35.3 1.0 S3 F:SF4502 2.3 35.3 1.0 S1 F:SF4502 2.3 35.3 1.0 FE1 F:SF4502 2.7 35.3 1.0 FE3 F:SF4502 2.7 35.3 1.0 FE4 F:SF4502 2.7 35.3 1.0 CB F:CYS365 3.0 32.4 1.0 OG F:SER358 3.8 35.8 1.0 S2 F:SF4502 3.9 35.3 1.0 CD2 F:LEU407 4.3 37.4 1.0 N F:CYS359 4.3 34.0 1.0 CB F:SER358 4.3 35.8 1.0 CA F:CYS365 4.4 32.4 1.0 CA F:SER358 4.5 35.8 1.0 CB F:LEU407 4.5 37.4 1.0 SG F:CYS362 4.6 30.9 1.0 C F:CYS365 4.7 32.4 1.0 SG F:CYS405 4.7 34.0 1.0 N F:GLY408 4.7 36.7 1.0 N F:GLY360 4.8 33.3 1.0 SG F:CYS359 4.8 34.0 1.0 CG F:LEU407 4.9 37.4 1.0 C F:SER358 4.9 35.8 1.0 N F:ARG366 4.9 32.1 1.0

Iron binding site 9 out of 28 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 Iron with other atoms in the Fe binding site number 9 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 F:Fe502 b:35.3 occ:1.00 FE3 F:SF4502 0.0 35.3 1.0 S4 F:SF4502 2.3 35.3 1.0 SG F:CYS405 2.3 34.0 1.0 S1 F:SF4502 2.3 35.3 1.0 S2 F:SF4502 2.3 35.3 1.0 FE4 F:SF4502 2.7 35.3 1.0 FE2 F:SF4502 2.7 35.3 1.0 FE1 F:SF4502 2.8 35.3 1.0 CB F:CYS405 3.3 34.0 1.0 N F:CYS405 3.9 34.0 1.0 S3 F:SF4502 3.9 35.3 1.0 CA F:CYS405 4.0 34.0 1.0 CB F:LEU407 4.1 37.4 1.0 CG F:PRO203 4.1 35.8 1.0 CD1 F:ILE185 4.3 37.1 1.0 C F:CYS405 4.3 34.0 1.0 O F:CYS405 4.4 34.0 1.0 CD F:PRO203 4.5 35.8 1.0 N F:LEU407 4.7 37.4 1.0 SG F:CYS359 4.8 34.0 1.0 N F:GLY408 4.8 36.7 1.0 SG F:CYS365 4.8 32.4 1.0 SG F:CYS362 4.8 30.9 1.0 CA F:LEU407 4.9 37.4 1.0 C F:ILE404 5.0 32.2 1.0

Iron binding site 10 out of 28 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 Iron with other atoms in the Fe binding site number 10 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 F:Fe502 b:35.3 occ:1.00 FE4 F:SF4502 0.0 35.3 1.0 SG F:CYS359 2.3 34.0 1.0 S3 F:SF4502 2.3 35.3 1.0 S1 F:SF4502 2.3 35.3 1.0 S2 F:SF4502 2.3 35.3 1.0 FE3 F:SF4502 2.7 35.3 1.0 FE2 F:SF4502 2.7 35.3 1.0 FE1 F:SF4502 2.8 35.3 1.0 CB F:CYS359 3.3 34.0 1.0 N F:CYS359 3.7 34.0 1.0 N F:GLN361 3.8 32.8 1.0 CB F:GLN361 3.9 32.8 1.0 CA F:CYS359 3.9 34.0 1.0 S4 F:SF4502 3.9 35.3 1.0 N F:GLY360 3.9 33.3 1.0 C F:CYS359 4.1 34.0 1.0 CD F:PRO203 4.2 35.8 1.0 CA F:GLN361 4.4 32.8 1.0 N F:CYS362 4.5 30.9 1.0 NE2 F:GLN361 4.7 32.8 1.0 C F:GLY360 4.7 33.3 1.0 CG F:PRO203 4.8 35.8 1.0 SG F:CYS405 4.8 34.0 1.0 CA F:GLY360 4.8 33.3 1.0 SG F:CYS365 4.8 32.4 1.0 C F:SER358 4.9 35.8 1.0 SG F:CYS362 4.9 30.9 1.0 OG F:SER358 4.9 35.8 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