Iron in PDB 7r4f: Bovine Complex I in the Presence of IM1761092, Slack Class I (Composite Map)

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

Magnesium	(Mg)	1 atom
Potassium	(K)	1 atom
Iodine	(I)	1 atom
Chlorine	(Cl)	1 atom
Zinc	(Zn)	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, Slack Class I (Composite Map) (pdb code 7r4f). 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, Slack Class I (Composite Map), PDB code: 7r4f:
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, Slack 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, Slack Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:31.2 occ:1.00 FE1 B:SF4201 0.0 31.2 1.0 SG B:CYS119 2.3 26.7 1.0 S3 B:SF4201 2.3 31.2 1.0 S4 B:SF4201 2.3 31.2 1.0 S2 B:SF4201 2.3 31.2 1.0 FE2 B:SF4201 2.7 31.2 1.0 FE3 B:SF4201 2.7 31.2 1.0 FE4 B:SF4201 2.7 31.2 1.0 CB B:CYS119 3.2 26.7 1.0 O B:HOH351 3.4 24.0 1.0 S1 B:SF4201 3.9 31.2 1.0 O B:HOH318 3.9 26.2 1.0 N B:CYS119 4.0 26.7 1.0 OG1 B:THR91 4.0 30.9 1.0 CA B:CYS119 4.2 26.7 1.0 SG B:CYS149 4.4 26.6 1.0 CQ2 D:2MR85 4.5 31.0 1.0 CE2 B:TYR126 4.7 27.8 1.0 N B:THR91 4.8 30.9 1.0 SG B:CYS55 4.8 30.4 1.0 SG B:CYS54 4.9 30.5 1.0 NH2 D:2MR85 5.0 31.0 1.0

Iron binding site 2 out of 28 in the Bovine Complex I in the Presence of IM1761092, Slack 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, Slack Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:31.2 occ:1.00 FE2 B:SF4201 0.0 31.2 1.0 SG B:CYS149 2.2 26.6 1.0 S1 B:SF4201 2.3 31.2 1.0 S3 B:SF4201 2.3 31.2 1.0 S4 B:SF4201 2.3 31.2 1.0 FE4 B:SF4201 2.7 31.2 1.0 FE1 B:SF4201 2.7 31.2 1.0 FE3 B:SF4201 2.8 31.2 1.0 CA B:CYS149 3.3 26.6 1.0 CB B:CYS149 3.3 26.6 1.0 C B:CYS149 3.5 26.6 1.0 O B:HOH351 3.7 24.0 1.0 S2 B:SF4201 3.9 31.2 1.0 O B:CYS149 4.0 26.6 1.0 N B:PRO150 4.0 29.1 1.0 NE D:ARG105 4.2 28.6 1.0 CD2 D:HIS190 4.3 30.1 1.0 CA B:PRO150 4.4 29.1 1.0 NE2 D:HIS190 4.4 30.1 1.0 SG B:CYS55 4.7 30.4 1.0 SG B:CYS119 4.7 26.7 1.0 N B:CYS149 4.7 26.6 1.0 NH2 D:ARG105 4.8 28.6 1.0 CD B:PRO150 4.8 29.1 1.0 SG B:CYS54 4.8 30.5 1.0 O B:GLY148 4.8 27.0 1.0 CD D:ARG105 4.9 28.6 1.0 CZ D:ARG105 4.9 28.6 1.0 CB B:PRO150 4.9 29.1 1.0

Iron binding site 3 out of 28 in the Bovine Complex I in the Presence of IM1761092, Slack 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, Slack Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:31.2 occ:1.00 FE3 B:SF4201 0.0 31.2 1.0 SG B:CYS54 2.3 30.5 1.0 S4 B:SF4201 2.3 31.2 1.0 S1 B:SF4201 2.3 31.2 1.0 S2 B:SF4201 2.3 31.2 1.0 FE4 B:SF4201 2.7 31.2 1.0 FE1 B:SF4201 2.7 31.2 1.0 FE2 B:SF4201 2.8 31.2 1.0 CB B:CYS54 3.2 30.5 1.0 CQ2 D:2MR85 3.6 31.0 1.0 NE2 D:HIS190 3.8 30.1 1.0 N B:CYS54 3.8 30.5 1.0 S3 B:SF4201 3.9 31.2 1.0 CA B:CYS54 4.0 30.5 1.0 N B:CYS55 4.1 30.4 1.0 C B:CYS54 4.4 30.5 1.0 CG D:ARG105 4.4 28.6 1.0 CD2 D:HIS190 4.5 30.1 1.0 CB B:ALA53 4.7 32.6 1.0 SG B:CYS149 4.8 26.6 1.0 SG B:CYS119 4.8 26.7 1.0 NH2 D:2MR85 4.8 31.0 1.0 SG B:CYS55 4.8 30.4 1.0 CE1 D:HIS190 4.9 30.1 1.0 NE D:ARG105 4.9 28.6 1.0 CD D:ARG105 4.9 28.6 1.0 C B:ALA53 5.0 32.6 1.0 CB D:ARG105 5.0 28.6 1.0

Iron binding site 4 out of 28 in the Bovine Complex I in the Presence of IM1761092, Slack 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, Slack Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:31.2 occ:1.00 FE4 B:SF4201 0.0 31.2 1.0 SG B:CYS55 2.3 30.4 1.0 S3 B:SF4201 2.3 31.2 1.0 S2 B:SF4201 2.3 31.2 1.0 S1 B:SF4201 2.3 31.2 1.0 FE2 B:SF4201 2.7 31.2 1.0 FE3 B:SF4201 2.7 31.2 1.0 FE1 B:SF4201 2.7 31.2 1.0 CB B:CYS55 3.3 30.4 1.0 O B:HOH318 3.5 26.2 1.0 N B:CYS55 3.6 30.4 1.0 CA B:CYS55 3.8 30.4 1.0 S4 B:SF4201 3.9 31.2 1.0 CB B:PRO150 4.3 29.1 1.0 CA B:PRO150 4.4 29.1 1.0 C B:CYS54 4.5 30.5 1.0 CA B:GLY117 4.6 27.7 1.0 SG B:CYS54 4.7 30.5 1.0 N B:PRO150 4.7 29.1 1.0 CA B:CYS149 4.8 26.6 1.0 CB B:CYS54 4.8 30.5 1.0 CA B:GLY90 4.8 30.9 1.0 SG B:CYS119 4.8 26.7 1.0 SG B:CYS149 4.8 26.6 1.0 N B:CYS54 4.9 30.5 1.0 CA B:CYS54 5.0 30.5 1.0

Iron binding site 5 out of 28 in the Bovine Complex I in the Presence of IM1761092, Slack 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, Slack Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe301 b:54.2 occ:1.00 FE1 E:FES301 0.0 54.2 1.0 S1 E:FES301 2.2 54.2 1.0 S2 E:FES301 2.2 54.2 1.0 SG E:CYS103 2.3 50.0 1.0 SG E:CYS108 2.3 50.8 1.0 FE2 E:FES301 2.7 54.2 1.0 CB E:CYS108 3.2 50.8 1.0 CB E:CYS103 3.3 50.0 1.0 CA E:CYS144 4.1 47.4 1.0 N E:CYS108 4.1 50.8 1.0 N E:LEU145 4.2 49.5 1.0 CA E:CYS108 4.2 50.8 1.0 SG E:CYS144 4.5 47.4 1.0 CA E:CYS103 4.6 50.0 1.0 CB E:CYS144 4.6 47.4 1.0 C E:CYS144 4.7 47.4 1.0 C E:CYS103 4.7 50.0 1.0 SG E:CYS148 4.8 51.5 1.0 CA E:CYS148 4.8 51.5 1.0 CG E:MET153 4.8 53.7 1.0 SD E:MET153 4.8 53.7 1.0 O E:CYS103 4.9 50.0 1.0 N E:THR105 4.9 47.6 1.0 O E:THR105 4.9 47.6 1.0 N E:CYS144 4.9 47.4 1.0 CB E:THR105 4.9 47.6 1.0

Iron binding site 6 out of 28 in the Bovine Complex I in the Presence of IM1761092, Slack 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, Slack Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe301 b:54.2 occ:1.00 FE2 E:FES301 0.0 54.2 1.0 S2 E:FES301 2.2 54.2 1.0 S1 E:FES301 2.2 54.2 1.0 SG E:CYS144 2.3 47.4 1.0 SG E:CYS148 2.3 51.5 1.0 FE1 E:FES301 2.7 54.2 1.0 CB E:CYS144 3.3 47.4 1.0 CB E:CYS148 3.4 51.5 1.0 CA E:CYS148 3.6 51.5 1.0 CA E:CYS144 3.6 47.4 1.0 N E:CYS148 3.8 51.5 1.0 N E:LEU145 3.9 49.5 1.0 N E:GLY146 4.1 49.2 1.0 C E:CYS144 4.2 47.4 1.0 N E:ALA147 4.3 51.8 1.0 N F:GLY103 4.3 49.2 1.0 SG E:CYS103 4.3 50.0 1.0 C E:ALA147 4.5 51.8 1.0 SG E:CYS108 4.5 50.8 1.0 CB E:PRO107 4.6 49.3 1.0 CG E:PRO107 4.7 49.3 1.0 CA E:GLY146 4.7 49.2 1.0 CA F:PRO102 4.8 46.4 1.0 N E:CYS144 4.9 47.4 1.0 C E:GLY146 4.9 49.2 1.0 C E:LEU145 5.0 49.5 1.0

Iron binding site 7 out of 28 in the Bovine Complex I in the Presence of IM1761092, Slack 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, Slack Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe502 b:37.1 occ:1.00 FE1 F:SF4502 0.0 37.1 1.0 S3 F:SF4502 2.3 37.1 1.0 S4 F:SF4502 2.3 37.1 1.0 S2 F:SF4502 2.3 37.1 1.0 SG F:CYS362 2.3 31.3 1.0 FE2 F:SF4502 2.7 37.1 1.0 FE4 F:SF4502 2.8 37.1 1.0 FE3 F:SF4502 2.8 37.1 1.0 CB F:CYS362 3.4 31.3 1.0 N F:CYS362 3.7 31.3 1.0 S1 F:SF4502 3.9 37.1 1.0 CB F:CYS365 4.0 33.1 1.0 CA F:CYS362 4.1 31.3 1.0 N F:ILE404 4.2 33.4 1.0 O F:CYS362 4.3 31.3 1.0 CB F:ILE404 4.4 33.4 1.0 CB F:THR403 4.4 34.1 1.0 SG F:CYS365 4.5 33.1 1.0 C F:CYS362 4.6 31.3 1.0 N F:CYS405 4.6 34.8 1.0 CB F:GLN361 4.7 33.3 1.0 SG F:CYS359 4.8 35.5 1.0 C F:GLN361 4.8 33.3 1.0 CA F:ILE404 4.8 33.4 1.0 N F:GLN361 4.8 33.3 1.0 SG F:CYS405 4.9 34.8 1.0 CG1 F:ILE404 4.9 33.4 1.0 CD1 F:ILE404 4.9 33.4 1.0 CG2 F:THR403 5.0 34.1 1.0

Iron binding site 8 out of 28 in the Bovine Complex I in the Presence of IM1761092, Slack 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, Slack Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe502 b:37.1 occ:1.00 FE2 F:SF4502 0.0 37.1 1.0 SG F:CYS365 2.2 33.1 1.0 S4 F:SF4502 2.3 37.1 1.0 S3 F:SF4502 2.3 37.1 1.0 S1 F:SF4502 2.3 37.1 1.0 FE1 F:SF4502 2.7 37.1 1.0 FE3 F:SF4502 2.7 37.1 1.0 FE4 F:SF4502 2.8 37.1 1.0 CB F:CYS365 2.9 33.1 1.0 OG F:SER358 3.6 37.0 1.0 S2 F:SF4502 3.9 37.1 1.0 CD2 F:LEU407 4.2 38.5 1.0 CB F:SER358 4.2 37.0 1.0 N F:CYS359 4.4 35.5 1.0 CA F:CYS365 4.4 33.1 1.0 CA F:SER358 4.5 37.0 1.0 CB F:LEU407 4.5 38.5 1.0 SG F:CYS362 4.6 31.3 1.0 SG F:CYS405 4.7 34.8 1.0 C F:CYS365 4.7 33.1 1.0 N F:GLY408 4.7 37.5 1.0 N F:GLY360 4.8 33.7 1.0 CG F:LEU407 4.8 38.5 1.0 C F:SER358 4.9 37.0 1.0 SG F:CYS359 4.9 35.5 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, Slack 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, Slack Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe502 b:37.1 occ:1.00 FE3 F:SF4502 0.0 37.1 1.0 SG F:CYS405 2.3 34.8 1.0 S4 F:SF4502 2.3 37.1 1.0 S1 F:SF4502 2.3 37.1 1.0 S2 F:SF4502 2.3 37.1 1.0 FE4 F:SF4502 2.7 37.1 1.0 FE2 F:SF4502 2.7 37.1 1.0 FE1 F:SF4502 2.8 37.1 1.0 CB F:CYS405 3.3 34.8 1.0 N F:CYS405 3.9 34.8 1.0 S3 F:SF4502 3.9 37.1 1.0 CA F:CYS405 4.0 34.8 1.0 CG F:PRO203 4.1 36.7 1.0 CB F:LEU407 4.1 38.5 1.0 C F:CYS405 4.3 34.8 1.0 O F:CYS405 4.4 34.8 1.0 CD1 F:ILE185 4.4 39.0 1.0 CD F:PRO203 4.5 36.7 1.0 N F:LEU407 4.7 38.5 1.0 SG F:CYS359 4.8 35.5 1.0 SG F:CYS365 4.8 33.1 1.0 N F:GLY408 4.8 37.5 1.0 SG F:CYS362 4.9 31.3 1.0 CA F:LEU407 4.9 38.5 1.0 C F:ILE404 5.0 33.4 1.0

Iron binding site 10 out of 28 in the Bovine Complex I in the Presence of IM1761092, Slack 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, Slack Class I (Composite Map) within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe502 b:37.1 occ:1.00 FE4 F:SF4502 0.0 37.1 1.0 SG F:CYS359 2.3 35.5 1.0 S3 F:SF4502 2.3 37.1 1.0 S2 F:SF4502 2.3 37.1 1.0 S1 F:SF4502 2.3 37.1 1.0 FE3 F:SF4502 2.7 37.1 1.0 FE2 F:SF4502 2.8 37.1 1.0 FE1 F:SF4502 2.8 37.1 1.0 CB F:CYS359 3.3 35.5 1.0 N F:CYS359 3.7 35.5 1.0 N F:GLN361 3.8 33.3 1.0 N F:GLY360 3.9 33.7 1.0 S4 F:SF4502 3.9 37.1 1.0 CA F:CYS359 3.9 35.5 1.0 CB F:GLN361 4.0 33.3 1.0 C F:CYS359 4.2 35.5 1.0 CD F:PRO203 4.2 36.7 1.0 CA F:GLN361 4.5 33.3 1.0 N F:CYS362 4.6 31.3 1.0 CG F:PRO203 4.7 36.7 1.0 C F:GLY360 4.7 33.7 1.0 NE2 F:GLN361 4.7 33.3 1.0 OG F:SER358 4.7 37.0 1.0 CA F:GLY360 4.8 33.7 1.0 SG F:CYS405 4.8 34.8 1.0 C F:SER358 4.8 37.0 1.0 SG F:CYS365 4.8 33.1 1.0 SG F:CYS362 4.9 31.3 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