Iron in PDB 7r44: Bovine Complex I in the Presence of IM1761092, Active Class IV (Composite Map)

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

Zinc	(Zn)	1 atom
Chlorine	(Cl)	1 atom
Iodine	(I)	1 atom
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, Active Class IV (Composite Map) (pdb code 7r44). 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, Active Class IV (Composite Map), PDB code: 7r44:
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, Active Class IV (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, Active Class IV (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:32.7 occ:1.00 FE1 B:SF4201 0.0 32.7 1.0 SG B:CYS119 2.2 27.9 1.0 S3 B:SF4201 2.3 32.7 1.0 S4 B:SF4201 2.3 32.7 1.0 S2 B:SF4201 2.3 32.7 1.0 FE2 B:SF4201 2.7 32.7 1.0 FE3 B:SF4201 2.7 32.7 1.0 FE4 B:SF4201 2.7 32.7 1.0 CB B:CYS119 3.2 27.9 1.0 O B:HOH344 3.6 28.5 1.0 OG1 B:THR91 3.9 30.9 1.0 S1 B:SF4201 3.9 32.7 1.0 N B:CYS119 4.0 27.9 1.0 O B:HOH311 4.1 29.5 1.0 CA B:CYS119 4.2 27.9 1.0 SG B:CYS149 4.5 27.7 1.0 CQ2 D:2MR85 4.5 31.0 1.0 CE2 B:TYR126 4.6 28.2 1.0 N B:THR91 4.8 30.9 1.0 SG B:CYS55 4.9 30.5 1.0 SG B:CYS54 4.9 30.8 1.0 NH2 D:2MR85 4.9 31.0 1.0

Iron binding site 2 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active Class IV (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, Active Class IV (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:32.7 occ:1.00 FE2 B:SF4201 0.0 32.7 1.0 SG B:CYS149 2.2 27.7 1.0 S1 B:SF4201 2.3 32.7 1.0 S3 B:SF4201 2.3 32.7 1.0 S4 B:SF4201 2.3 32.7 1.0 FE4 B:SF4201 2.7 32.7 1.0 FE1 B:SF4201 2.7 32.7 1.0 FE3 B:SF4201 2.7 32.7 1.0 CB B:CYS149 3.4 27.7 1.0 CA B:CYS149 3.4 27.7 1.0 C B:CYS149 3.7 27.7 1.0 O B:HOH344 3.8 28.5 1.0 S2 B:SF4201 3.9 32.7 1.0 N B:PRO150 4.1 29.7 1.0 O B:CYS149 4.1 27.7 1.0 NE D:ARG105 4.1 28.8 1.0 CD2 D:HIS190 4.3 30.4 1.0 NE2 D:HIS190 4.4 30.4 1.0 CA B:PRO150 4.5 29.7 1.0 SG B:CYS55 4.6 30.5 1.0 NH2 D:ARG105 4.6 28.8 1.0 SG B:CYS119 4.7 27.9 1.0 SG B:CYS54 4.8 30.8 1.0 CZ D:ARG105 4.8 28.8 1.0 N B:CYS149 4.8 27.7 1.0 CD D:ARG105 4.9 28.8 1.0 O B:GLY148 4.9 27.1 1.0 CD B:PRO150 4.9 29.7 1.0 CB B:CYS54 4.9 30.8 1.0 CG D:ARG105 5.0 28.8 1.0

Iron binding site 3 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active Class IV (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, Active Class IV (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:32.7 occ:1.00 FE3 B:SF4201 0.0 32.7 1.0 S4 B:SF4201 2.3 32.7 1.0 SG B:CYS54 2.3 30.8 1.0 S1 B:SF4201 2.3 32.7 1.0 S2 B:SF4201 2.3 32.7 1.0 CB B:CYS54 2.7 30.8 1.0 FE1 B:SF4201 2.7 32.7 1.0 FE2 B:SF4201 2.7 32.7 1.0 FE4 B:SF4201 2.8 32.7 1.0 CQ2 D:2MR85 3.6 31.0 1.0 NE2 D:HIS190 3.7 30.4 1.0 CA B:CYS54 3.9 30.8 1.0 S3 B:SF4201 3.9 32.7 1.0 N B:CYS54 4.0 30.8 1.0 CG D:ARG105 4.2 28.8 1.0 CD2 D:HIS190 4.3 30.4 1.0 N B:CYS55 4.4 30.5 1.0 C B:CYS54 4.6 30.8 1.0 NH2 D:2MR85 4.7 31.0 1.0 CE1 D:HIS190 4.7 30.4 1.0 CD D:ARG105 4.8 28.8 1.0 SG B:CYS149 4.8 27.7 1.0 NE D:ARG105 4.8 28.8 1.0 SG B:CYS119 4.8 27.9 1.0 CB D:ARG105 4.8 28.8 1.0 SG B:CYS55 4.9 30.5 1.0 CB B:ALA53 5.0 31.8 1.0

Iron binding site 4 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active Class IV (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, Active Class IV (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:32.7 occ:1.00 FE4 B:SF4201 0.0 32.7 1.0 S3 B:SF4201 2.3 32.7 1.0 SG B:CYS55 2.3 30.5 1.0 S1 B:SF4201 2.3 32.7 1.0 S2 B:SF4201 2.3 32.7 1.0 FE2 B:SF4201 2.7 32.7 1.0 FE1 B:SF4201 2.7 32.7 1.0 FE3 B:SF4201 2.8 32.7 1.0 CB B:CYS55 3.4 30.5 1.0 N B:CYS55 3.6 30.5 1.0 O B:HOH311 3.7 29.5 1.0 S4 B:SF4201 3.9 32.7 1.0 CA B:CYS55 3.9 30.5 1.0 CB B:CYS54 3.9 30.8 1.0 CB B:PRO150 4.4 29.7 1.0 CA B:PRO150 4.4 29.7 1.0 C B:CYS54 4.6 30.8 1.0 SG B:CYS54 4.6 30.8 1.0 CA B:CYS54 4.7 30.8 1.0 CA B:GLY90 4.8 30.7 1.0 N B:PRO150 4.8 29.7 1.0 SG B:CYS119 4.8 27.9 1.0 SG B:CYS149 4.8 27.7 1.0 CA B:CYS149 4.8 27.7 1.0 CA B:GLY117 4.8 28.1 1.0 N B:CYS54 4.9 30.8 1.0

Iron binding site 5 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active Class IV (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, Active Class IV (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe301 b:51.7 occ:1.00 FE1 E:FES301 0.0 51.7 1.0 S2 E:FES301 2.2 51.7 1.0 S1 E:FES301 2.2 51.7 1.0 SG E:CYS103 2.3 46.2 1.0 SG E:CYS108 2.3 46.8 1.0 FE2 E:FES301 2.7 51.7 1.0 CB E:CYS108 3.3 46.8 1.0 CB E:CYS103 3.3 46.2 1.0 N E:CYS108 4.1 46.8 1.0 CA E:CYS144 4.1 44.5 1.0 CA E:CYS108 4.3 46.8 1.0 N E:LEU145 4.3 46.0 1.0 SG E:CYS144 4.5 44.5 1.0 CA E:CYS103 4.6 46.2 1.0 CB E:CYS144 4.6 44.5 1.0 SG E:CYS148 4.7 48.4 1.0 CG E:MET153 4.8 49.4 1.0 C E:CYS103 4.8 46.2 1.0 C E:CYS144 4.8 44.5 1.0 O E:THR105 4.8 44.6 1.0 CA E:CYS148 4.8 48.4 1.0 N E:THR105 4.9 44.6 1.0 CB E:THR105 4.9 44.6 1.0 SD E:MET153 5.0 49.4 1.0 N E:CYS144 5.0 44.5 1.0

Iron binding site 6 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active Class IV (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, Active Class IV (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe301 b:51.7 occ:1.00 FE2 E:FES301 0.0 51.7 1.0 S2 E:FES301 2.2 51.7 1.0 S1 E:FES301 2.2 51.7 1.0 SG E:CYS144 2.3 44.5 1.0 SG E:CYS148 2.3 48.4 1.0 FE1 E:FES301 2.7 51.7 1.0 CB E:CYS144 3.3 44.5 1.0 CB E:CYS148 3.4 48.4 1.0 CA E:CYS144 3.7 44.5 1.0 CA E:CYS148 3.7 48.4 1.0 N E:CYS148 3.9 48.4 1.0 N E:LEU145 3.9 46.0 1.0 N E:GLY146 4.1 46.9 1.0 C E:CYS144 4.2 44.5 1.0 N E:ALA147 4.2 48.3 1.0 N F:GLY103 4.3 47.1 1.0 SG E:CYS103 4.3 46.2 1.0 SG E:CYS108 4.5 46.8 1.0 C E:ALA147 4.5 48.3 1.0 CA E:GLY146 4.7 46.9 1.0 CB E:PRO107 4.8 45.7 1.0 CG E:PRO107 4.8 45.7 1.0 C E:LEU145 4.9 46.0 1.0 CA F:GLY103 4.9 47.1 1.0 C E:GLY146 4.9 46.9 1.0 N E:CYS144 5.0 44.5 1.0 CA E:LEU145 5.0 46.0 1.0

Iron binding site 7 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active Class IV (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, Active Class IV (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe502 b:35.7 occ:1.00 FE1 F:SF4502 0.0 35.7 1.0 S3 F:SF4502 2.3 35.7 1.0 S4 F:SF4502 2.3 35.7 1.0 S2 F:SF4502 2.3 35.7 1.0 SG F:CYS362 2.3 31.8 1.0 FE2 F:SF4502 2.7 35.7 1.0 FE3 F:SF4502 2.7 35.7 1.0 FE4 F:SF4502 2.7 35.7 1.0 CB F:CYS362 3.4 31.8 1.0 N F:CYS362 3.7 31.8 1.0 S1 F:SF4502 3.9 35.7 1.0 CB F:CYS365 4.0 33.1 1.0 CA F:CYS362 4.0 31.8 1.0 N F:ILE404 4.2 32.8 1.0 O F:CYS362 4.2 31.8 1.0 CB F:ILE404 4.3 32.8 1.0 CB F:THR403 4.4 33.3 1.0 SG F:CYS365 4.5 33.1 1.0 C F:CYS362 4.5 31.8 1.0 N F:CYS405 4.6 35.2 1.0 SG F:CYS359 4.7 34.7 1.0 CB F:GLN361 4.7 33.1 1.0 CA F:ILE404 4.8 32.8 1.0 C F:GLN361 4.8 33.1 1.0 CG2 F:THR403 4.8 33.3 1.0 CG1 F:ILE404 4.8 32.8 1.0 SG F:CYS405 4.9 35.2 1.0 N F:GLN361 4.9 33.1 1.0 CD1 F:ILE404 4.9 32.8 1.0

Iron binding site 8 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active Class IV (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, Active Class IV (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe502 b:35.7 occ:1.00 FE2 F:SF4502 0.0 35.7 1.0 SG F:CYS365 2.2 33.1 1.0 S4 F:SF4502 2.3 35.7 1.0 S3 F:SF4502 2.3 35.7 1.0 S1 F:SF4502 2.3 35.7 1.0 FE1 F:SF4502 2.7 35.7 1.0 FE4 F:SF4502 2.7 35.7 1.0 FE3 F:SF4502 2.7 35.7 1.0 CB F:CYS365 2.9 33.1 1.0 OG F:SER358 3.5 36.1 1.0 S2 F:SF4502 3.9 35.7 1.0 CD2 F:LEU407 4.1 37.9 1.0 CB F:SER358 4.2 36.1 1.0 N F:CYS359 4.3 34.7 1.0 CA F:CYS365 4.3 33.1 1.0 CA F:SER358 4.4 36.1 1.0 CB F:LEU407 4.4 37.9 1.0 SG F:CYS362 4.6 31.8 1.0 N F:GLY408 4.7 37.6 1.0 SG F:CYS405 4.7 35.2 1.0 C F:CYS365 4.7 33.1 1.0 CG F:LEU407 4.8 37.9 1.0 C F:SER358 4.8 36.1 1.0 SG F:CYS359 4.8 34.7 1.0 N F:ARG366 5.0 32.3 1.0

Iron binding site 9 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active Class IV (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, Active Class IV (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe502 b:35.7 occ:1.00 FE3 F:SF4502 0.0 35.7 1.0 SG F:CYS405 2.3 35.2 1.0 S4 F:SF4502 2.3 35.7 1.0 S2 F:SF4502 2.3 35.7 1.0 S1 F:SF4502 2.3 35.7 1.0 FE4 F:SF4502 2.7 35.7 1.0 FE2 F:SF4502 2.7 35.7 1.0 FE1 F:SF4502 2.7 35.7 1.0 CB F:CYS405 3.4 35.2 1.0 N F:CYS405 3.8 35.2 1.0 S3 F:SF4502 3.9 35.7 1.0 CA F:CYS405 4.0 35.2 1.0 CB F:LEU407 4.1 37.9 1.0 CG F:PRO203 4.2 36.0 1.0 C F:CYS405 4.3 35.2 1.0 CD1 F:ILE185 4.4 37.9 1.0 O F:CYS405 4.4 35.2 1.0 N F:LEU407 4.6 37.9 1.0 SG F:CYS359 4.7 34.7 1.0 CD F:PRO203 4.7 36.0 1.0 SG F:CYS365 4.8 33.1 1.0 N F:GLY408 4.8 37.6 1.0 SG F:CYS362 4.8 31.8 1.0 CA F:LEU407 4.9 37.9 1.0 C F:ILE404 4.9 32.8 1.0

Iron binding site 10 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active Class IV (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, Active Class IV (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe502 b:35.7 occ:1.00 FE4 F:SF4502 0.0 35.7 1.0 SG F:CYS359 2.2 34.7 1.0 S3 F:SF4502 2.3 35.7 1.0 S1 F:SF4502 2.3 35.7 1.0 S2 F:SF4502 2.3 35.7 1.0 FE3 F:SF4502 2.7 35.7 1.0 FE2 F:SF4502 2.7 35.7 1.0 FE1 F:SF4502 2.7 35.7 1.0 CB F:CYS359 3.5 34.7 1.0 N F:CYS359 3.6 34.7 1.0 S4 F:SF4502 3.9 35.7 1.0 N F:GLN361 3.9 33.1 1.0 CA F:CYS359 4.0 34.7 1.0 CB F:GLN361 4.0 33.1 1.0 N F:GLY360 4.0 33.4 1.0 C F:CYS359 4.3 34.7 1.0 CD F:PRO203 4.3 36.0 1.0 CA F:GLN361 4.5 33.1 1.0 N F:CYS362 4.6 31.8 1.0 OG F:SER358 4.6 36.1 1.0 C F:SER358 4.7 36.1 1.0 SG F:CYS405 4.7 35.2 1.0 NE2 F:GLN361 4.7 33.1 1.0 CG F:PRO203 4.8 36.0 1.0 SG F:CYS365 4.8 33.1 1.0 C F:GLY360 4.8 33.4 1.0 SG F:CYS362 4.9 31.8 1.0 CA F:GLY360 4.9 33.4 1.0 CD1 F:ILE185 5.0 37.9 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