Iron in PDB 7r41: Bovine Complex I in the Presence of IM1761092, Active Class I (Composite Map)

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

Zinc	(Zn)	1 atom
Chlorine	(Cl)	1 atom
Iodine	(I)	1 atom
Magnesium	(Mg)	1 atom
Potassium	(K)	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 I (Composite Map) (pdb code 7r41). 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 I (Composite Map), PDB code: 7r41:
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 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, Active Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:28.5 occ:1.00 FE1 B:SF4201 0.0 28.5 1.0 SG B:CYS119 2.2 25.3 1.0 S3 B:SF4201 2.3 28.5 1.0 S4 B:SF4201 2.3 28.5 1.0 S2 B:SF4201 2.3 28.5 1.0 FE2 B:SF4201 2.7 28.5 1.0 FE3 B:SF4201 2.7 28.5 1.0 FE4 B:SF4201 2.7 28.5 1.0 CB B:CYS119 3.2 25.3 1.0 O B:HOH330 3.7 23.4 1.0 S1 B:SF4201 3.9 28.5 1.0 O B:HOH312 3.9 25.8 1.0 OG1 B:THR91 4.0 27.7 1.0 N B:CYS119 4.0 25.3 1.0 CA B:CYS119 4.2 25.3 1.0 CQ2 D:2MR85 4.4 28.0 1.0 SG B:CYS149 4.5 24.3 1.0 N B:THR91 4.6 27.7 1.0 CE2 B:TYR126 4.6 25.2 1.0 SG B:CYS55 4.8 27.2 1.0 NH2 D:2MR85 4.8 28.0 1.0 SG B:CYS54 4.9 28.0 1.0 CA B:GLY90 5.0 27.9 1.0

Iron binding site 2 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active 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, Active Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:28.5 occ:1.00 FE2 B:SF4201 0.0 28.5 1.0 SG B:CYS149 2.2 24.3 1.0 S1 B:SF4201 2.3 28.5 1.0 S4 B:SF4201 2.3 28.5 1.0 S3 B:SF4201 2.3 28.5 1.0 FE4 B:SF4201 2.7 28.5 1.0 FE1 B:SF4201 2.7 28.5 1.0 FE3 B:SF4201 2.7 28.5 1.0 CB B:CYS149 3.4 24.3 1.0 CA B:CYS149 3.4 24.3 1.0 C B:CYS149 3.7 24.3 1.0 O B:HOH330 3.8 23.4 1.0 S2 B:SF4201 3.9 28.5 1.0 NE D:ARG105 4.1 26.1 1.0 N B:PRO150 4.1 26.4 1.0 O B:CYS149 4.1 24.3 1.0 CD2 D:HIS190 4.4 27.4 1.0 CA B:PRO150 4.5 26.4 1.0 NE2 D:HIS190 4.5 27.4 1.0 NH2 D:ARG105 4.6 26.1 1.0 SG B:CYS119 4.6 25.3 1.0 SG B:CYS55 4.7 27.2 1.0 N B:CYS149 4.8 24.3 1.0 CZ D:ARG105 4.8 26.1 1.0 SG B:CYS54 4.8 28.0 1.0 O B:GLY148 4.8 24.5 1.0 CD D:ARG105 4.9 26.1 1.0 CD B:PRO150 4.9 26.4 1.0

Iron binding site 3 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active 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, Active Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:28.5 occ:1.00 FE3 B:SF4201 0.0 28.5 1.0 S4 B:SF4201 2.3 28.5 1.0 SG B:CYS54 2.3 28.0 1.0 S1 B:SF4201 2.3 28.5 1.0 S2 B:SF4201 2.3 28.5 1.0 FE1 B:SF4201 2.7 28.5 1.0 FE2 B:SF4201 2.7 28.5 1.0 FE4 B:SF4201 2.7 28.5 1.0 CB B:CYS54 2.9 28.0 1.0 CQ2 D:2MR85 3.6 28.0 1.0 NE2 D:HIS190 3.8 27.4 1.0 N B:CYS54 3.9 28.0 1.0 S3 B:SF4201 3.9 28.5 1.0 CA B:CYS54 3.9 28.0 1.0 CG D:ARG105 4.2 26.1 1.0 N B:CYS55 4.3 27.2 1.0 CD2 D:HIS190 4.5 27.4 1.0 C B:CYS54 4.5 28.0 1.0 NH2 D:2MR85 4.7 28.0 1.0 NE D:ARG105 4.8 26.1 1.0 SG B:CYS119 4.8 25.3 1.0 CD D:ARG105 4.8 26.1 1.0 SG B:CYS149 4.8 24.3 1.0 CE1 D:HIS190 4.8 27.4 1.0 CB D:ARG105 4.8 26.1 1.0 SG B:CYS55 4.9 27.2 1.0 CB B:ALA53 4.9 28.6 1.0

Iron binding site 4 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active 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, Active Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:28.5 occ:1.00 FE4 B:SF4201 0.0 28.5 1.0 SG B:CYS55 2.3 27.2 1.0 S3 B:SF4201 2.3 28.5 1.0 S2 B:SF4201 2.3 28.5 1.0 S1 B:SF4201 2.3 28.5 1.0 FE2 B:SF4201 2.7 28.5 1.0 FE1 B:SF4201 2.7 28.5 1.0 FE3 B:SF4201 2.7 28.5 1.0 CB B:CYS55 3.3 27.2 1.0 N B:CYS55 3.6 27.2 1.0 O B:HOH312 3.6 25.8 1.0 CA B:CYS55 3.9 27.2 1.0 S4 B:SF4201 3.9 28.5 1.0 CB B:PRO150 4.3 26.4 1.0 CA B:PRO150 4.3 26.4 1.0 CB B:CYS54 4.4 28.0 1.0 C B:CYS54 4.6 28.0 1.0 CA B:GLY117 4.6 25.4 1.0 SG B:CYS54 4.7 28.0 1.0 CA B:GLY90 4.7 27.9 1.0 N B:PRO150 4.7 26.4 1.0 CA B:CYS149 4.8 24.3 1.0 SG B:CYS119 4.8 25.3 1.0 SG B:CYS149 4.8 24.3 1.0 N B:CYS54 4.8 28.0 1.0 CA B:CYS54 4.9 28.0 1.0

Iron binding site 5 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active 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, Active Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe301 b:50.3 occ:1.00 FE1 E:FES301 0.0 50.3 1.0 S2 E:FES301 2.2 50.3 1.0 S1 E:FES301 2.2 50.3 1.0 SG E:CYS103 2.3 46.6 1.0 SG E:CYS108 2.3 46.2 1.0 FE2 E:FES301 2.7 50.3 1.0 CB E:CYS108 3.2 46.2 1.0 CB E:CYS103 3.3 46.6 1.0 CA E:CYS144 4.1 44.0 1.0 N E:CYS108 4.1 46.2 1.0 CA E:CYS108 4.2 46.2 1.0 N E:LEU145 4.3 45.8 1.0 SG E:CYS144 4.5 44.0 1.0 SD E:MET153 4.5 50.0 1.0 CB E:CYS144 4.6 44.0 1.0 CA E:CYS103 4.6 46.6 1.0 SG E:CYS148 4.7 47.6 1.0 C E:CYS144 4.7 44.0 1.0 C E:CYS103 4.8 46.6 1.0 CA E:CYS148 4.8 47.6 1.0 CG E:MET153 4.9 50.0 1.0 O E:THR105 4.9 43.3 1.0 CB E:THR105 4.9 43.3 1.0 O E:CYS103 4.9 46.6 1.0 N E:CYS144 5.0 44.0 1.0 N E:THR105 5.0 43.3 1.0 OG1 E:THR105 5.0 43.3 1.0

Iron binding site 6 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active 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, Active Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe301 b:50.3 occ:1.00 FE2 E:FES301 0.0 50.3 1.0 S1 E:FES301 2.2 50.3 1.0 S2 E:FES301 2.2 50.3 1.0 SG E:CYS144 2.3 44.0 1.0 SG E:CYS148 2.3 47.6 1.0 FE1 E:FES301 2.7 50.3 1.0 CB E:CYS144 3.3 44.0 1.0 CB E:CYS148 3.4 47.6 1.0 CA E:CYS144 3.7 44.0 1.0 CA E:CYS148 3.7 47.6 1.0 N E:CYS148 3.9 47.6 1.0 N E:LEU145 4.0 45.8 1.0 N E:GLY146 4.1 45.8 1.0 C E:CYS144 4.2 44.0 1.0 N F:GLY103 4.2 44.8 1.0 N E:ALA147 4.2 47.4 1.0 SG E:CYS103 4.3 46.6 1.0 SG E:CYS108 4.5 46.2 1.0 C E:ALA147 4.5 47.4 1.0 CA E:GLY146 4.6 45.8 1.0 CB E:PRO107 4.7 44.2 1.0 CG E:PRO107 4.8 44.2 1.0 CA F:PRO102 4.9 42.1 1.0 C E:GLY146 4.9 45.8 1.0 C E:LEU145 4.9 45.8 1.0 N E:CYS144 4.9 44.0 1.0 CA F:GLY103 4.9 44.8 1.0

Iron binding site 7 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active 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, Active Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe502 b:34.3 occ:1.00 FE1 F:SF4502 0.0 34.3 1.0 S3 F:SF4502 2.3 34.3 1.0 SG F:CYS362 2.3 29.3 1.0 S4 F:SF4502 2.3 34.3 1.0 S2 F:SF4502 2.3 34.3 1.0 FE2 F:SF4502 2.7 34.3 1.0 FE4 F:SF4502 2.7 34.3 1.0 FE3 F:SF4502 2.8 34.3 1.0 CB F:CYS362 3.4 29.3 1.0 N F:CYS362 3.8 29.3 1.0 S1 F:SF4502 3.9 34.3 1.0 CB F:CYS365 4.0 31.4 1.0 CA F:CYS362 4.1 29.3 1.0 N F:ILE404 4.2 31.0 1.0 O F:CYS362 4.3 29.3 1.0 CB F:THR403 4.4 31.5 1.0 CB F:ILE404 4.4 31.0 1.0 SG F:CYS365 4.5 31.4 1.0 C F:CYS362 4.6 29.3 1.0 N F:CYS405 4.6 32.6 1.0 CG2 F:THR403 4.8 31.5 1.0 SG F:CYS359 4.8 32.5 1.0 CB F:GLN361 4.8 31.1 1.0 CA F:ILE404 4.8 31.0 1.0 C F:GLN361 4.8 31.1 1.0 SG F:CYS405 4.9 32.6 1.0 N F:GLN361 4.9 31.1 1.0 CG1 F:ILE404 5.0 31.0 1.0 CD1 F:ILE404 5.0 31.0 1.0

Iron binding site 8 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active 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, Active Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe502 b:34.3 occ:1.00 FE2 F:SF4502 0.0 34.3 1.0 SG F:CYS365 2.2 31.4 1.0 S4 F:SF4502 2.3 34.3 1.0 S3 F:SF4502 2.3 34.3 1.0 S1 F:SF4502 2.3 34.3 1.0 FE1 F:SF4502 2.7 34.3 1.0 FE3 F:SF4502 2.7 34.3 1.0 FE4 F:SF4502 2.7 34.3 1.0 CB F:CYS365 2.9 31.4 1.0 OG F:SER358 3.7 34.1 1.0 S2 F:SF4502 3.9 34.3 1.0 CD2 F:LEU407 4.2 35.5 1.0 CB F:SER358 4.3 34.1 1.0 N F:CYS359 4.3 32.5 1.0 CA F:CYS365 4.4 31.4 1.0 CB F:LEU407 4.4 35.5 1.0 CA F:SER358 4.5 34.1 1.0 SG F:CYS362 4.6 29.3 1.0 N F:GLY408 4.7 35.2 1.0 SG F:CYS405 4.7 32.6 1.0 C F:CYS365 4.8 31.4 1.0 CG F:LEU407 4.8 35.5 1.0 SG F:CYS359 4.8 32.5 1.0 N F:GLY360 4.8 31.8 1.0 C F:SER358 4.9 34.1 1.0 N F:ARG366 4.9 30.7 1.0

Iron binding site 9 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active 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, Active Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe502 b:34.3 occ:1.00 FE3 F:SF4502 0.0 34.3 1.0 SG F:CYS405 2.3 32.6 1.0 S4 F:SF4502 2.3 34.3 1.0 S1 F:SF4502 2.3 34.3 1.0 S2 F:SF4502 2.3 34.3 1.0 FE4 F:SF4502 2.7 34.3 1.0 FE2 F:SF4502 2.7 34.3 1.0 FE1 F:SF4502 2.8 34.3 1.0 CB F:CYS405 3.3 32.6 1.0 N F:CYS405 3.9 32.6 1.0 S3 F:SF4502 3.9 34.3 1.0 CA F:CYS405 4.0 32.6 1.0 CB F:LEU407 4.1 35.5 1.0 CG F:PRO203 4.2 34.0 1.0 C F:CYS405 4.3 32.6 1.0 O F:CYS405 4.4 32.6 1.0 CD1 F:ILE185 4.4 36.1 1.0 CD F:PRO203 4.6 34.0 1.0 N F:LEU407 4.6 35.5 1.0 SG F:CYS359 4.7 32.5 1.0 N F:GLY408 4.8 35.2 1.0 SG F:CYS365 4.8 31.4 1.0 SG F:CYS362 4.8 29.3 1.0 CA F:LEU407 4.9 35.5 1.0

Iron binding site 10 out of 28 in the Bovine Complex I in the Presence of IM1761092, Active 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, Active Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe502 b:34.3 occ:1.00 FE4 F:SF4502 0.0 34.3 1.0 SG F:CYS359 2.3 32.5 1.0 S3 F:SF4502 2.3 34.3 1.0 S2 F:SF4502 2.3 34.3 1.0 S1 F:SF4502 2.3 34.3 1.0 FE3 F:SF4502 2.7 34.3 1.0 FE2 F:SF4502 2.7 34.3 1.0 FE1 F:SF4502 2.7 34.3 1.0 CB F:CYS359 3.3 32.5 1.0 N F:CYS359 3.7 32.5 1.0 N F:GLN361 3.8 31.1 1.0 S4 F:SF4502 3.9 34.3 1.0 CA F:CYS359 3.9 32.5 1.0 N F:GLY360 3.9 31.8 1.0 CB F:GLN361 4.0 31.1 1.0 C F:CYS359 4.2 32.5 1.0 CD F:PRO203 4.3 34.0 1.0 CA F:GLN361 4.5 31.1 1.0 N F:CYS362 4.6 29.3 1.0 NE2 F:GLN361 4.6 31.1 1.0 C F:GLY360 4.8 31.8 1.0 OG F:SER358 4.8 34.1 1.0 SG F:CYS405 4.8 32.6 1.0 CG F:PRO203 4.8 34.0 1.0 SG F:CYS365 4.8 31.4 1.0 C F:SER358 4.8 34.1 1.0 CA F:GLY360 4.8 31.8 1.0 SG F:CYS362 4.9 29.3 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