Iron in PDB 8e9g: Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled

All present enzymatic activity of Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled:
1.6.99.5;

The structure of Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 32;

Binding sites:

The binding sites of Iron atom in the Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled (pdb code 8e9g). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 32 binding sites of Iron where determined in the Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled, PDB code: 8e9g:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 32 in the Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:65.9 occ:1.00 FE1 B:SF4201 0.0 65.9 1.0 SG B:CYS38 2.3 65.1 1.0 S4 B:SF4201 2.3 65.9 1.0 S2 B:SF4201 2.3 65.9 1.0 S3 B:SF4201 2.3 65.9 1.0 FE2 B:SF4201 2.7 65.9 1.0 FE3 B:SF4201 2.7 65.9 1.0 FE4 B:SF4201 2.7 65.9 1.0 CB B:CYS38 3.5 65.1 1.0 S1 B:SF4201 3.9 65.9 1.0 SG B:CYS37 3.9 67.5 1.0 N B:CYS38 3.9 65.1 1.0 CA B:CYS38 4.1 65.1 1.0 CA B:GLY74 4.4 64.2 1.0 CA B:PRO133 4.5 62.7 1.0 CA B:GLY101 4.5 60.3 1.0 CB B:CYS103 4.6 62.3 1.0 CB B:PRO133 4.6 62.7 1.0 CA B:CYS132 4.7 61.0 1.0 SG B:CYS103 4.9 62.3 1.0 SG B:CYS132 4.9 61.0 1.0 N B:PRO133 4.9 62.7 1.0 C B:CYS37 4.9 67.5 1.0 O B:MET100 4.9 62.4 1.0 N B:CYS103 4.9 62.3 1.0 O B:GLY131 5.0 61.5 1.0 N B:GLY74 5.0 64.2 1.0

Iron binding site 2 out of 32 in the Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:65.9 occ:1.00 FE2 B:SF4201 0.0 65.9 1.0 SG B:CYS37 2.2 67.5 1.0 S1 B:SF4201 2.3 65.9 1.0 S3 B:SF4201 2.3 65.9 1.0 S4 B:SF4201 2.3 65.9 1.0 FE4 B:SF4201 2.7 65.9 1.0 FE1 B:SF4201 2.7 65.9 1.0 FE3 B:SF4201 2.7 65.9 1.0 NH2 B:ARG75 3.4 64.5 1.0 S2 B:SF4201 3.9 65.9 1.0 ND2 D:ASN186 3.9 64.6 1.0 CB B:CYS37 4.0 67.5 1.0 CZ B:ARG75 4.1 64.5 1.0 N B:CYS37 4.2 67.5 1.0 CB B:ALA36 4.3 66.7 1.0 N B:CYS38 4.4 65.1 1.0 CA B:CYS37 4.6 67.5 1.0 NH1 B:ARG75 4.7 64.5 1.0 SG B:CYS38 4.7 65.1 1.0 SG B:CYS132 4.7 61.0 1.0 SG B:CYS103 4.8 62.3 1.0 NE B:ARG75 4.8 64.5 1.0 CG D:ARG99 4.8 62.8 1.0 CG D:ASN186 4.8 64.6 1.0 C B:CYS37 4.9 67.5 1.0 OD1 D:ASN186 4.9 64.6 1.0

Iron binding site 3 out of 32 in the Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:65.9 occ:1.00 FE3 B:SF4201 0.0 65.9 1.0 SG B:CYS132 2.2 61.0 1.0 S4 B:SF4201 2.3 65.9 1.0 S1 B:SF4201 2.3 65.9 1.0 S2 B:SF4201 2.3 65.9 1.0 FE4 B:SF4201 2.7 65.9 1.0 FE2 B:SF4201 2.7 65.9 1.0 FE1 B:SF4201 2.7 65.9 1.0 CB B:CYS132 3.2 61.0 1.0 CA B:CYS132 3.3 61.0 1.0 C B:CYS132 3.6 61.0 1.0 S3 B:SF4201 3.9 65.9 1.0 NE D:ARG99 4.0 62.8 1.0 ND2 D:ASN186 4.0 64.6 1.0 O B:CYS132 4.1 61.0 1.0 N B:PRO133 4.1 62.7 1.0 SG B:CYS37 4.1 67.5 1.0 CG2 B:VAL102 4.4 59.2 1.0 SG B:CYS103 4.5 62.3 1.0 CA B:PRO133 4.5 62.7 1.0 N B:CYS132 4.6 61.0 1.0 O B:GLY131 4.6 61.5 1.0 CD D:ARG99 4.7 62.8 1.0 SG B:CYS38 4.7 65.1 1.0 NH2 D:ARG99 4.7 62.8 1.0 CZ D:ARG99 4.8 62.8 1.0

Iron binding site 4 out of 32 in the Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:65.9 occ:1.00 FE4 B:SF4201 0.0 65.9 1.0 SG B:CYS103 2.3 62.3 1.0 S3 B:SF4201 2.3 65.9 1.0 S1 B:SF4201 2.3 65.9 1.0 S2 B:SF4201 2.3 65.9 1.0 CB B:CYS103 2.7 62.3 1.0 FE3 B:SF4201 2.7 65.9 1.0 FE2 B:SF4201 2.7 65.9 1.0 FE1 B:SF4201 2.7 65.9 1.0 CA B:CYS103 3.9 62.3 1.0 S4 B:SF4201 3.9 65.9 1.0 N B:CYS103 3.9 62.3 1.0 NH2 B:ARG75 4.2 64.5 1.0 CB B:ARG75 4.4 64.5 1.0 SG B:CYS132 4.5 61.0 1.0 N B:ARG75 4.5 64.5 1.0 NE B:ARG75 4.5 64.5 1.0 CE2 B:PHE110 4.6 60.8 1.0 CZ B:ARG75 4.6 64.5 1.0 CG2 B:VAL102 4.8 59.2 1.0 CD2 B:PHE110 4.8 60.8 1.0 CA B:ARG75 4.8 64.5 1.0 SG B:CYS38 4.8 65.1 1.0 SG B:CYS37 4.9 67.5 1.0

Iron binding site 5 out of 32 in the Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe1000 b:100.1 occ:1.00 FE1 E:FES1000 0.0 100.1 1.0 S1 E:FES1000 2.2 100.1 1.0 S2 E:FES1000 2.2 100.1 1.0 SG E:CYS107 2.3 95.4 1.0 SG E:CYS112 2.3 98.0 1.0 FE2 E:FES1000 2.7 100.1 1.0 CB E:CYS112 3.0 98.0 1.0 CB E:CYS107 3.5 95.4 1.0 CG1 E:VAL157 4.0 101.2 1.0 N E:CYS112 4.1 98.0 1.0 CA E:CYS112 4.1 98.0 1.0 CA E:CYS148 4.1 97.1 1.0 N E:ASN149 4.3 99.2 1.0 SG E:CYS152 4.4 103.6 1.0 CB E:ASN109 4.5 93.8 1.0 SG E:CYS148 4.6 97.1 1.0 CA E:CYS152 4.6 103.6 1.0 CB E:CYS148 4.6 97.1 1.0 O E:CYS107 4.7 95.4 1.0 CA E:CYS107 4.8 95.4 1.0 C E:CYS148 4.8 97.1 1.0 N E:CYS152 4.9 103.6 1.0 C E:CYS107 4.9 95.4 1.0

Iron binding site 6 out of 32 in the Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe1000 b:100.1 occ:1.00 FE2 E:FES1000 0.0 100.1 1.0 S1 E:FES1000 2.2 100.1 1.0 S2 E:FES1000 2.2 100.1 1.0 SG E:CYS152 2.3 103.6 1.0 SG E:CYS148 2.3 97.1 1.0 FE1 E:FES1000 2.7 100.1 1.0 CB E:CYS148 3.2 97.1 1.0 CA E:CYS148 3.5 97.1 1.0 N E:ASN149 3.6 99.2 1.0 CB E:CYS152 3.6 103.6 1.0 N E:CYS152 3.8 103.6 1.0 CA E:CYS152 3.9 103.6 1.0 N E:ALA150 3.9 102.9 1.0 C E:CYS148 4.0 97.1 1.0 N E:ALA151 4.2 103.0 1.0 N F:GLY98 4.3 102.2 1.0 SG E:CYS107 4.3 95.4 1.0 CA E:ALA150 4.5 102.9 1.0 C E:ALA151 4.5 103.0 1.0 SG E:CYS112 4.5 98.0 1.0 C E:ASN149 4.6 99.2 1.0 CA E:ASN149 4.7 99.2 1.0 N E:CYS148 4.8 97.1 1.0 C E:ALA150 4.9 102.9 1.0 CA F:GLY98 4.9 102.2 1.0 CA E:ALA151 5.0 103.0 1.0

Iron binding site 7 out of 32 in the Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe801 b:67.0 occ:1.00 FE1 G:FES801 0.0 67.0 1.0 S1 G:FES801 2.2 67.0 1.0 S2 G:FES801 2.2 67.0 1.0 SG G:CYS48 2.3 60.5 1.0 SG G:CYS59 2.3 62.1 1.0 FE2 G:FES801 2.7 67.0 1.0 CB G:CYS48 3.5 60.5 1.0 CB G:CYS59 3.5 62.1 1.0 N G:CYS59 3.5 62.1 1.0 N G:ARG60 3.5 64.1 1.0 N G:CYS48 3.7 60.5 1.0 CA G:CYS59 3.8 62.1 1.0 N G:GLN61 3.9 62.7 1.0 C G:CYS59 4.0 62.1 1.0 CA G:CYS48 4.1 60.5 1.0 N G:ASP49 4.2 61.0 1.0 N G:ALA58 4.3 63.5 1.0 SG G:CYS76 4.3 62.7 1.0 CA G:ARG60 4.4 64.1 1.0 C G:ALA58 4.4 63.5 1.0 N G:PHE47 4.5 59.8 1.0 C G:CYS48 4.5 60.5 1.0 SG G:CYS62 4.5 63.7 1.0 N G:CYS62 4.6 63.7 1.0 C G:GLY57 4.6 62.9 1.0 C G:ARG60 4.6 64.1 1.0 CA G:GLY57 4.7 62.9 1.0 CB G:GLN61 4.8 62.7 1.0 C G:PHE47 4.8 59.8 1.0 CA G:GLN61 4.8 62.7 1.0 CB G:CYS62 4.9 63.7 1.0 CA G:ALA58 4.9 63.5 1.0

Iron binding site 8 out of 32 in the Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe801 b:67.0 occ:1.00 FE2 G:FES801 0.0 67.0 1.0 S2 G:FES801 2.2 67.0 1.0 S1 G:FES801 2.2 67.0 1.0 SG G:CYS62 2.3 63.7 1.0 SG G:CYS76 2.3 62.7 1.0 FE1 G:FES801 2.7 67.0 1.0 CB G:CYS76 2.9 62.7 1.0 CB G:CYS62 3.3 63.7 1.0 SG G:CYS48 3.8 60.5 1.0 N G:CYS76 4.0 62.7 1.0 CA G:CYS76 4.0 62.7 1.0 N G:CYS62 4.2 63.7 1.0 CB G:ALA74 4.3 64.1 1.0 CA G:CYS62 4.3 63.7 1.0 CA G:GLY57 4.4 62.9 1.0 CB G:ASP49 4.5 61.0 1.0 N G:ASP49 4.7 61.0 1.0 SG G:CYS59 4.7 62.1 1.0 C G:CYS76 4.8 62.7 1.0 CA G:ALA74 4.9 64.1 1.0 N G:GLY57 5.0 62.9 1.0 C G:ALA74 5.0 64.1 1.0 N G:GLN61 5.0 62.7 1.0

Iron binding site 9 out of 32 in the Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe803 b:60.5 occ:1.00 FE1 G:SF4803 0.0 60.5 1.0 SG G:CYS114 2.3 57.3 1.0 S3 G:SF4803 2.3 60.5 1.0 S4 G:SF4803 2.3 60.5 1.0 S2 G:SF4803 2.3 60.5 1.0 FE3 G:SF4803 2.7 60.5 1.0 FE2 G:SF4803 2.7 60.5 1.0 FE4 G:SF4803 2.7 60.5 1.0 CB G:CYS114 3.2 57.3 1.0 CA G:CYS114 3.3 57.3 1.0 N G:CYS114 3.7 57.3 1.0 S1 G:SF4803 3.9 60.5 1.0 NE2 G:GLN126 3.9 58.1 1.0 CG G:GLN126 3.9 58.1 1.0 CD G:GLN126 4.1 58.1 1.0 CE D:MET354 4.2 61.6 1.0 C G:ASP113 4.5 58.2 1.0 NE2 G:HIS110 4.5 59.7 1.0 CB G:CYS117 4.6 56.9 1.0 C G:CYS114 4.6 57.3 1.0 CD2 G:HIS110 4.7 59.7 1.0 SG G:CYS117 4.9 56.9 1.0 OE1 G:GLN126 4.9 58.1 1.0 SG G:CYS123 4.9 56.3 1.0 CG1 D:ILE358 4.9 59.4 1.0 O G:CYS114 5.0 57.3 1.0 O G:ASP113 5.0 58.2 1.0

Iron binding site 10 out of 32 in the Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Mycobacterial Respiratory Complex I with Both Quinone Positions Modelled within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe803 b:60.5 occ:1.00 FE2 G:SF4803 0.0 60.5 1.0 SG G:CYS123 2.3 56.3 1.0 S1 G:SF4803 2.3 60.5 1.0 S3 G:SF4803 2.3 60.5 1.0 S4 G:SF4803 2.3 60.5 1.0 FE4 G:SF4803 2.7 60.5 1.0 FE1 G:SF4803 2.7 60.5 1.0 FE3 G:SF4803 2.7 60.5 1.0 CB G:CYS123 3.2 56.3 1.0 CG G:GLN126 3.7 58.1 1.0 S2 G:SF4803 3.9 60.5 1.0 NE2 G:HIS110 4.3 59.7 1.0 CD G:GLN126 4.3 58.1 1.0 CB G:LEU125 4.3 59.3 1.0 N G:GLN126 4.4 58.1 1.0 SG G:CYS117 4.6 56.9 1.0 CA G:CYS123 4.6 56.3 1.0 OE1 G:GLN126 4.7 58.1 1.0 CD2 G:LEU125 4.7 59.3 1.0 CB G:GLN126 4.7 58.1 1.0 SG G:CYS114 4.8 57.3 1.0 N G:GLY216 4.9 57.2 1.0 CG G:LEU125 4.9 59.3 1.0 CB G:LYS119 4.9 55.8 1.0 NE2 G:GLN126 4.9 58.1 1.0 CA G:VAL215 5.0 58.0 1.0

Y.Liang, A.Plourde, S.A.Bueler, J.Liu, P.Brzezinski, S.Vahidi, J.L.Rubinstein. Structure of Mycobacterial Respiratory Complex I Biorxiv 2022.
ISSN: ISSN 2692-8205
DOI: 10.1101/2022.10.04.510895