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Iron in PDB 7v31: Active State Complex I From Rotenone Dataset

Enzymatic activity of Active State Complex I From Rotenone Dataset

All present enzymatic activity of Active State Complex I From Rotenone Dataset:
7.1.1.2;

Other elements in 7v31:

The structure of Active State Complex I From Rotenone Dataset also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Zinc (Zn) 1 atom

Iron Binding Sites:

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 Active State Complex I From Rotenone Dataset (pdb code 7v31). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 28 binding sites of Iron where determined in the Active State Complex I From Rotenone Dataset, PDB code: 7v31:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 28 in 7v31

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Iron binding site 1 out of 28 in the Active State Complex I From Rotenone Dataset


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Active State Complex I From Rotenone Dataset within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:19.1
occ:1.00
 FE1 A:SF4501 0.0 19.1 1.0
SG A:CYS382 2.3 13.0 1.0
S2 A:SF4501 2.3 19.1 1.0
S4 A:SF4501 2.3 19.1 1.0
S3 A:SF4501 2.3 19.1 1.0
FE2 A:SF4501 2.7 19.1 1.0
FE3 A:SF4501 2.7 19.1 1.0
FE4 A:SF4501 2.7 19.1 1.0
CB A:CYS382 3.3 13.0 1.0
CB A:CYS385 3.6 14.2 1.0
N A:CYS382 3.6 13.0 1.0
S1 A:SF4501 3.9 19.1 1.0
CA A:CYS382 3.9 13.0 1.0
O A:CYS382 4.3 13.0 1.0
N A:ILE424 4.4 13.2 1.0
C A:CYS382 4.5 13.0 1.0
SG A:CYS385 4.5 14.2 1.0
CB A:ILE424 4.5 13.2 1.0
CB A:THR423 4.5 14.9 1.0
SG A:CYS425 4.7 15.2 1.0
C A:GLN381 4.8 12.8 1.0
CG2 A:THR423 4.8 14.9 1.0
CA A:CYS385 4.8 14.2 1.0
N A:GLN381 4.8 12.8 1.0
N A:CYS385 4.8 14.2 1.0
CB A:GLN381 4.8 12.8 1.0
SG A:CYS379 4.9 15.1 1.0
CG1 A:ILE424 4.9 13.2 1.0
N A:CYS425 4.9 15.2 1.0

Iron binding site 2 out of 28 in 7v31

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Iron binding site 2 out of 28 in the Active State Complex I From Rotenone Dataset


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Active State Complex I From Rotenone Dataset within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:19.1
occ:1.00
 FE2 A:SF4501 0.0 19.1 1.0
SG A:CYS425 2.2 15.2 1.0
S4 A:SF4501 2.3 19.1 1.0
S1 A:SF4501 2.3 19.1 1.0
S3 A:SF4501 2.3 19.1 1.0
FE4 A:SF4501 2.7 19.1 1.0
FE1 A:SF4501 2.7 19.1 1.0
FE3 A:SF4501 2.7 19.1 1.0
CB A:CYS425 3.8 15.2 1.0
S2 A:SF4501 3.9 19.1 1.0
N A:CYS425 4.0 15.2 1.0
CB A:LEU427 4.1 17.7 1.0
CA A:CYS425 4.4 15.2 1.0
CD1 A:ILE205 4.5 21.6 1.0
CG A:PRO223 4.5 16.0 1.0
SG A:CYS379 4.6 15.1 1.0
C A:CYS425 4.7 15.2 1.0
N A:LEU427 4.7 17.7 1.0
SG A:CYS385 4.8 14.2 1.0
CB A:CYS385 4.8 14.2 1.0
CD A:PRO223 4.8 16.0 1.0
SG A:CYS382 4.8 13.0 1.0
O A:CYS425 4.8 15.2 1.0
CA A:LEU427 5.0 17.7 1.0

Iron binding site 3 out of 28 in 7v31

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Iron binding site 3 out of 28 in the Active State Complex I From Rotenone Dataset


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Active State Complex I From Rotenone Dataset within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:19.1
occ:1.00
 FE3 A:SF4501 0.0 19.1 1.0
SG A:CYS385 2.3 14.2 1.0
S4 A:SF4501 2.3 19.1 1.0
S1 A:SF4501 2.3 19.1 1.0
S2 A:SF4501 2.3 19.1 1.0
CB A:CYS385 2.6 14.2 1.0
FE2 A:SF4501 2.7 19.1 1.0
FE1 A:SF4501 2.7 19.1 1.0
FE4 A:SF4501 2.7 19.1 1.0
OG A:SER378 3.6 17.8 1.0
S3 A:SF4501 3.9 19.1 1.0
CA A:CYS385 4.1 14.2 1.0
CD2 A:LEU427 4.2 17.7 1.0
CB A:SER378 4.3 17.8 1.0
CB A:LEU427 4.5 17.7 1.0
SG A:CYS382 4.5 13.0 1.0
N A:CYS379 4.5 15.1 1.0
CA A:SER378 4.6 17.8 1.0
C A:CYS385 4.7 14.2 1.0
SG A:CYS379 4.7 15.1 1.0
N A:ARG386 4.7 13.8 1.0
CG A:LEU427 4.8 17.7 1.0
N A:GLY380 4.8 14.3 1.0
SG A:CYS425 4.8 15.2 1.0
N A:CYS385 4.9 14.2 1.0
CD1 A:LEU427 5.0 17.7 1.0
N A:GLY428 5.0 18.9 1.0

Iron binding site 4 out of 28 in 7v31

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Iron binding site 4 out of 28 in the Active State Complex I From Rotenone Dataset


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Active State Complex I From Rotenone Dataset within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:19.1
occ:1.00
 FE4 A:SF4501 0.0 19.1 1.0
SG A:CYS379 2.3 15.1 1.0
S2 A:SF4501 2.3 19.1 1.0
S3 A:SF4501 2.3 19.1 1.0
S1 A:SF4501 2.3 19.1 1.0
FE2 A:SF4501 2.7 19.1 1.0
FE1 A:SF4501 2.7 19.1 1.0
FE3 A:SF4501 2.7 19.1 1.0
CB A:CYS379 3.7 15.1 1.0
N A:GLN381 3.7 12.8 1.0
N A:GLY380 3.8 14.3 1.0
S4 A:SF4501 3.9 19.1 1.0
N A:CYS379 3.9 15.1 1.0
CB A:GLN381 4.0 12.8 1.0
CA A:CYS379 4.1 15.1 1.0
C A:CYS379 4.2 15.1 1.0
CA A:GLN381 4.4 12.8 1.0
N A:CYS382 4.4 13.0 1.0
C A:GLY380 4.6 14.3 1.0
CD A:PRO223 4.6 16.0 1.0
OG A:SER378 4.6 17.8 1.0
CA A:GLY380 4.6 14.3 1.0
SG A:CYS425 4.7 15.2 1.0
OE1 A:GLN381 4.7 12.8 1.0
SG A:CYS382 4.8 13.0 1.0
CB A:CYS385 4.9 14.2 1.0
SG A:CYS385 4.9 14.2 1.0
C A:GLN381 4.9 12.8 1.0

Iron binding site 5 out of 28 in 7v31

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Iron binding site 5 out of 28 in the Active State Complex I From Rotenone Dataset


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Active State Complex I From Rotenone Dataset within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:15.1
occ:1.00
 FE1 B:SF4301 0.0 15.1 1.0
SG B:CYS113 2.3 13.1 1.0
S2 B:SF4301 2.3 15.1 1.0
S3 B:SF4301 2.3 15.1 1.0
S4 B:SF4301 2.3 15.1 1.0
FE2 B:SF4301 2.7 15.1 1.0
FE3 B:SF4301 2.7 15.1 1.0
FE4 B:SF4301 2.7 15.1 1.0
CB B:CYS113 3.3 13.1 1.0
CA B:CYS113 3.6 13.1 1.0
N B:ILE114 3.9 9.9 1.0
S1 B:SF4301 3.9 15.1 1.0
N B:ALA115 3.9 6.3 1.0
C B:CYS113 4.1 13.1 1.0
CE2 B:TYR145 4.4 12.5 1.0
CB B:ALA166 4.5 17.5 1.0
CA B:ALA115 4.5 6.3 1.0
N B:CYS116 4.6 12.2 1.0
SG B:CYS119 4.8 16.8 1.0
C B:ILE114 4.8 9.9 1.0
SG B:CYS162 4.9 15.6 1.0
SG B:CYS116 4.9 12.2 1.0
N B:CYS113 4.9 13.1 1.0
CA B:ILE114 5.0 9.9 1.0

Iron binding site 6 out of 28 in 7v31

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Iron binding site 6 out of 28 in the Active State Complex I From Rotenone Dataset


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Active State Complex I From Rotenone Dataset within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:15.1
occ:1.00
 FE2 B:SF4301 0.0 15.1 1.0
SG B:CYS116 2.3 12.2 1.0
S1 B:SF4301 2.3 15.1 1.0
S3 B:SF4301 2.3 15.1 1.0
S4 B:SF4301 2.3 15.1 1.0
FE4 B:SF4301 2.7 15.1 1.0
FE3 B:SF4301 2.7 15.1 1.0
FE1 B:SF4301 2.7 15.1 1.0
N B:CYS116 3.4 12.2 1.0
CB B:CYS116 3.5 12.2 1.0
N B:LYS117 3.6 12.8 1.0
CA B:CYS116 3.8 12.2 1.0
S2 B:SF4301 3.9 15.1 1.0
C B:CYS116 4.1 12.2 1.0
N B:LEU118 4.2 14.7 1.0
CD B:PRO163 4.5 15.2 1.0
N B:ALA115 4.5 6.3 1.0
C B:ALA115 4.5 6.3 1.0
CA B:LYS117 4.6 12.8 1.0
SG B:CYS162 4.7 15.6 1.0
SG B:CYS119 4.7 16.8 1.0
CA B:ALA115 4.7 6.3 1.0
CG1 B:ILE114 4.8 9.9 1.0
SG B:CYS113 4.8 13.1 1.0
N B:ILE114 4.9 9.9 1.0
C B:LYS117 4.9 12.8 1.0
N B:CYS119 4.9 16.8 1.0
CB B:LEU118 5.0 14.7 1.0

Iron binding site 7 out of 28 in 7v31

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Iron binding site 7 out of 28 in the Active State Complex I From Rotenone Dataset


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Active State Complex I From Rotenone Dataset within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:15.1
occ:1.00
 FE3 B:SF4301 0.0 15.1 1.0
SG B:CYS119 2.3 16.8 1.0
S1 B:SF4301 2.3 15.1 1.0
S2 B:SF4301 2.3 15.1 1.0
S4 B:SF4301 2.3 15.1 1.0
FE2 B:SF4301 2.7 15.1 1.0
FE1 B:SF4301 2.7 15.1 1.0
FE4 B:SF4301 2.7 15.1 1.0
CB B:CYS119 3.3 16.8 1.0
OH B:TYR145 3.9 12.5 1.0
S3 B:SF4301 3.9 15.1 1.0
N B:CYS119 4.0 16.8 1.0
CE2 B:TYR145 4.0 12.5 1.0
CA B:CYS119 4.3 16.8 1.0
CD1 B:ILE130 4.4 11.3 1.0
CZ B:TYR145 4.5 12.5 1.0
CG2 B:ILE167 4.5 16.7 1.0
N B:LYS117 4.7 12.8 1.0
SG B:CYS116 4.7 12.2 1.0
N B:LEU118 4.7 14.7 1.0
SG B:CYS113 4.7 13.1 1.0
SG B:CYS162 4.8 15.6 1.0
CA B:LYS117 4.9 12.8 1.0

Iron binding site 8 out of 28 in 7v31

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Iron binding site 8 out of 28 in the Active State Complex I From Rotenone Dataset


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Active State Complex I From Rotenone Dataset within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe301

b:15.1
occ:1.00
 FE4 B:SF4301 0.0 15.1 1.0
SG B:CYS162 2.3 15.6 1.0
S1 B:SF4301 2.3 15.1 1.0
S3 B:SF4301 2.3 15.1 1.0
S2 B:SF4301 2.3 15.1 1.0
FE2 B:SF4301 2.7 15.1 1.0
FE3 B:SF4301 2.7 15.1 1.0
FE1 B:SF4301 2.7 15.1 1.0
CB B:CYS162 3.4 15.6 1.0
CB B:ALA166 3.9 17.5 1.0
S4 B:SF4301 3.9 15.1 1.0
CA B:CYS162 4.0 15.6 1.0
CG2 B:ILE167 4.2 16.7 1.0
CD B:PRO163 4.4 15.2 1.0
CG2 B:VAL164 4.4 13.0 1.0
N B:ILE167 4.4 16.7 1.0
SG B:CYS116 4.5 12.2 1.0
N B:ALA166 4.6 17.5 1.0
CA B:ALA166 4.7 17.5 1.0
SG B:CYS119 4.8 16.8 1.0
SG B:CYS113 4.8 13.1 1.0
C B:CYS162 4.8 15.6 1.0
CB B:ILE167 4.9 16.7 1.0
N B:PRO163 4.9 15.2 1.0

Iron binding site 9 out of 28 in 7v31

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Iron binding site 9 out of 28 in the Active State Complex I From Rotenone Dataset


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Active State Complex I From Rotenone Dataset within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe302

b:15.5
occ:1.00
 FE1 B:SF4302 0.0 15.5 1.0
SG B:CYS123 2.3 25.7 1.0
S3 B:SF4302 2.3 15.5 1.0
S4 B:SF4302 2.3 15.5 1.0
S2 B:SF4302 2.3 15.5 1.0
FE4 B:SF4302 2.7 15.5 1.0
FE2 B:SF4302 2.7 15.5 1.0
FE3 B:SF4302 2.7 15.5 1.0
CB B:CYS123 3.3 25.7 1.0
CA B:CYS123 3.8 25.7 1.0
S1 B:SF4302 3.9 15.5 1.0
CD B:PRO124 4.2 25.7 1.0
CD1 B:ILE128 4.3 16.7 1.0
CG1 B:ILE128 4.4 16.7 1.0
C B:CYS123 4.4 25.7 1.0
N B:PRO124 4.5 25.7 1.0
CB B:ALA127 4.6 25.7 1.0
SG B:CYS155 4.8 25.7 1.0
SG B:CYS152 4.8 25.7 1.0
SG B:CYS158 4.8 25.7 1.0
CB B:CYS158 4.9 25.7 1.0
N B:ALA125 5.0 25.7 1.0
N B:ALA127 5.0 25.7 1.0

Iron binding site 10 out of 28 in 7v31

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Iron binding site 10 out of 28 in the Active State Complex I From Rotenone Dataset


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Active State Complex I From Rotenone Dataset within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe302

b:15.5
occ:1.00
 FE2 B:SF4302 0.0 15.5 1.0
SG B:CYS152 2.3 25.7 1.0
S1 B:SF4302 2.3 15.5 1.0
S4 B:SF4302 2.3 15.5 1.0
S3 B:SF4302 2.3 15.5 1.0
FE4 B:SF4302 2.7 15.5 1.0
FE3 B:SF4302 2.7 15.5 1.0
FE1 B:SF4302 2.7 15.5 1.0
CB B:CYS152 3.3 25.7 1.0
NE2 B:HIS101 3.7 14.2 1.0
N B:TYR154 3.8 25.7 1.0
N B:ILE153 3.9 25.7 1.0
CA B:CYS152 3.9 25.7 1.0
S2 B:SF4302 3.9 15.5 1.0
CE1 B:HIS101 4.2 14.2 1.0
CA B:TYR154 4.3 25.7 1.0
C B:CYS152 4.3 25.7 1.0
N B:CYS155 4.6 25.7 1.0
SG B:CYS155 4.7 25.7 1.0
C B:ILE153 4.7 25.7 1.0
SG B:CYS123 4.8 25.7 1.0
SG B:CYS158 4.8 25.7 1.0
CD2 B:HIS101 4.8 14.2 1.0
CA B:ILE153 4.9 25.7 1.0

Reference:

J.Gu, T.Liu, R.Guo, L.Zhang, M.Yang. The Coupling Mechanism of Mammalian Mitochondrial Complex I. Nat.Struct.Mol.Biol. V. 29 172 2022.
ISSN: ESSN 1545-9985
PubMed: 35145322
DOI: 10.1038/S41594-022-00722-W
Page generated: Thu Aug 7 07:13:27 2025

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