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Iron in PDB 4hea: Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus

Enzymatic activity of Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus

All present enzymatic activity of Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus:
1.6.5.3;

Protein crystallography data

The structure of Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus, PDB code: 4hea was solved by R.Baradaran, J.M.Berrisford, G.S.Minhas, L.A.Sazanov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 3.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 96.280, 340.890, 263.300, 90.00, 100.57, 90.00
R / Rfree (%) 20.2 / 23.9

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 64;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus (pdb code 4hea). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 64 binding sites of Iron where determined in the Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus, PDB code: 4hea:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 64 in 4hea

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Iron binding site 1 out of 64 in the Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Fe501

b:37.0
occ:1.00
 FE1 1:SF4501 0.0 37.0 1.0
S2 1:SF4501 2.3 37.0 1.0
S3 1:SF4501 2.3 37.0 1.0
SG 1:CYS356 2.3 41.5 1.0
S4 1:SF4501 2.3 37.0 1.0
FE2 1:SF4501 2.7 37.0 1.0
FE4 1:SF4501 2.7 37.0 1.0
FE3 1:SF4501 2.8 37.0 1.0
CB 1:CYS356 3.0 11.1 1.0
N 1:CYS356 3.6 22.7 1.0
CA 1:CYS356 3.9 21.4 1.0
S1 1:SF4501 3.9 37.0 1.0
N 1:PHE399 4.0 69.1 1.0
CB 1:CYS359 4.1 80.2 1.0
CB 1:PHE399 4.1 84.4 1.0
N 1:CYS400 4.1 17.7 1.0
CB 1:SER398 4.3 32.0 1.0
CA 1:PHE399 4.5 81.5 1.0
SG 1:CYS359 4.5 79.5 1.0
C 1:LYS355 4.6 14.4 1.0
C 1:PHE399 4.7 80.4 1.0
SG 1:CYS353 4.8 18.8 1.0
SG 1:CYS400 4.8 23.2 1.0
C 1:SER398 4.8 59.1 1.0
O 1:CYS400 4.9 27.2 1.0
C 1:CYS356 4.9 30.1 1.0
N 1:LYS355 4.9 16.6 1.0
O 1:CYS356 5.0 10.9 1.0
CB 1:LYS355 5.0 32.4 1.0

Iron binding site 2 out of 64 in 4hea

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Iron binding site 2 out of 64 in the Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Fe501

b:37.0
occ:1.00
 FE2 1:SF4501 0.0 37.0 1.0
SG 1:CYS359 2.3 79.5 1.0
S1 1:SF4501 2.3 37.0 1.0
S4 1:SF4501 2.3 37.0 1.0
S3 1:SF4501 2.3 37.0 1.0
FE4 1:SF4501 2.6 37.0 1.0
FE1 1:SF4501 2.7 37.0 1.0
FE3 1:SF4501 2.7 37.0 1.0
CB 1:CYS359 3.0 80.2 1.0
OG 1:SER352 3.3 41.9 1.0
S2 1:SF4501 3.8 37.0 1.0
CB 1:SER352 4.2 41.2 1.0
CA 1:CYS359 4.4 78.8 1.0
CB 1:LEU402 4.4 50.4 1.0
CD2 1:LEU402 4.5 60.2 1.0
N 1:CYS353 4.5 29.8 1.0
N 1:ARG360 4.6 16.1 1.0
SG 1:CYS356 4.7 41.5 1.0
C 1:CYS359 4.7 82.7 1.0
CA 1:SER352 4.8 55.0 1.0
CB 1:CYS356 4.8 11.1 1.0
SG 1:CYS353 4.8 18.8 1.0
SG 1:CYS400 4.9 23.2 1.0
CG 1:LEU402 4.9 46.6 1.0
N 1:ALA403 4.9 79.7 1.0
N 1:GLY354 5.0 46.8 1.0

Iron binding site 3 out of 64 in 4hea

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Iron binding site 3 out of 64 in the Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Fe501

b:37.0
occ:1.00
 FE3 1:SF4501 0.0 37.0 1.0
S4 1:SF4501 2.3 37.0 1.0
S2 1:SF4501 2.3 37.0 1.0
S1 1:SF4501 2.3 37.0 1.0
SG 1:CYS400 2.3 23.2 1.0
FE2 1:SF4501 2.7 37.0 1.0
FE4 1:SF4501 2.7 37.0 1.0
FE1 1:SF4501 2.8 37.0 1.0
CB 1:CYS400 3.3 20.2 1.0
N 1:CYS400 3.8 17.7 1.0
CA 1:CYS400 3.9 14.2 1.0
CB 1:LEU402 3.9 50.4 1.0
S3 1:SF4501 4.0 37.0 1.0
O 1:CYS400 4.1 27.2 1.0
CG 1:PRO199 4.1 6.7 1.0
CD1 1:ILE181 4.1 86.8 1.0
C 1:CYS400 4.2 27.5 1.0
N 1:LEU402 4.5 46.6 1.0
SG 1:CYS353 4.7 18.8 1.0
SG 1:CYS359 4.7 79.5 1.0
CD 1:PRO199 4.8 14.8 1.0
CA 1:LEU402 4.8 53.8 1.0
SG 1:CYS356 4.9 41.5 1.0
C 1:PHE399 4.9 80.4 1.0
CG1 1:ILE181 5.0 89.0 1.0
CG 1:LEU402 5.0 46.6 1.0
CD1 1:LEU402 5.0 43.7 1.0

Iron binding site 4 out of 64 in 4hea

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Iron binding site 4 out of 64 in the Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Fe501

b:37.0
occ:1.00
 FE4 1:SF4501 0.0 37.0 1.0
S3 1:SF4501 2.3 37.0 1.0
S1 1:SF4501 2.3 37.0 1.0
S2 1:SF4501 2.3 37.0 1.0
SG 1:CYS353 2.3 18.8 1.0
FE2 1:SF4501 2.6 37.0 1.0
FE3 1:SF4501 2.7 37.0 1.0
FE1 1:SF4501 2.7 37.0 1.0
CB 1:CYS353 3.4 11.2 1.0
N 1:CYS353 3.7 29.8 1.0
N 1:GLY354 3.7 46.8 1.0
S4 1:SF4501 3.9 37.0 1.0
N 1:LYS355 3.9 16.6 1.0
CA 1:CYS353 4.0 14.8 1.0
OG 1:SER352 4.1 41.9 1.0
C 1:CYS353 4.2 30.5 1.0
N 1:CYS356 4.4 22.7 1.0
CB 1:LYS355 4.5 32.4 1.0
CD 1:PRO199 4.6 14.8 1.0
CA 1:LYS355 4.6 10.9 1.0
C 1:GLY354 4.6 40.0 1.0
CA 1:GLY354 4.7 44.2 1.0
CG 1:PRO199 4.7 6.7 1.0
SG 1:CYS359 4.8 79.5 1.0
SG 1:CYS400 4.8 23.2 1.0
SG 1:CYS356 4.8 41.5 1.0
C 1:SER352 4.9 55.1 1.0

Iron binding site 5 out of 64 in 4hea

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Iron binding site 5 out of 64 in the Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
2:Fe201

b:37.5
occ:1.00
 FE1 2:FES201 0.0 37.5 1.0
S1 2:FES201 2.2 37.5 1.0
S2 2:FES201 2.2 37.5 1.0
SG 2:CYS83 2.3 97.5 1.0
SG 2:CYS88 2.3 18.2 1.0
FE2 2:FES201 3.1 37.5 1.0
CB 2:CYS88 3.2 10.1 1.0
CB 2:CYS83 3.3 67.4 1.0
N 2:LEU125 3.9 80.5 1.0
N 2:CYS88 4.1 22.8 1.0
CA 2:CYS124 4.1 82.5 1.0
CA 2:CYS88 4.2 22.1 1.0
CB 2:THR85 4.5 59.9 1.0
CG2 2:VAL133 4.5 41.1 1.0
O 2:THR85 4.5 95.5 1.0
CA 2:CYS83 4.6 56.7 1.0
C 2:CYS124 4.6 69.7 1.0
SG 2:CYS124 4.7 98.0 1.0
OG1 2:THR85 4.7 77.3 1.0
N 2:THR85 4.7 31.9 1.0
C 2:CYS83 4.7 59.6 1.0
CB 2:VAL133 4.8 41.1 1.0
CB 2:CYS124 4.8 86.1 1.0
O 2:SER127 4.8 0.1 1.0
CB 2:LEU125 4.9 85.8 1.0
O 2:CYS83 4.9 71.2 1.0
CA 2:THR85 5.0 51.0 1.0
SG 2:CYS128 5.0 91.0 1.0
N 2:CYS124 5.0 79.2 1.0
CA 2:LEU125 5.0 87.0 1.0

Iron binding site 6 out of 64 in 4hea

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Iron binding site 6 out of 64 in the Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
2:Fe201

b:37.5
occ:1.00
 FE2 2:FES201 0.0 37.5 1.0
S1 2:FES201 2.2 37.5 1.0
S2 2:FES201 2.2 37.5 1.0
SG 2:CYS124 2.3 98.0 1.0
SG 2:CYS128 2.3 91.0 1.0
FE1 2:FES201 3.1 37.5 1.0
CB 2:CYS124 3.5 86.1 1.0
CB 2:CYS128 3.7 97.6 1.0
CA 2:CYS124 3.8 82.5 1.0
N 2:GLY126 4.0 80.9 1.0
N 2:LEU125 4.0 80.5 1.0
N 1:GLY99 4.0 0.4 1.0
CA 2:CYS128 4.1 94.2 1.0
N 2:CYS128 4.2 86.9 1.0
C 2:CYS124 4.2 69.7 1.0
N 2:SER127 4.4 0.5 1.0
CA 1:PRO98 4.5 92.3 1.0
C 2:SER127 4.5 97.5 1.0
CA 2:GLY126 4.5 84.8 1.0
CB 2:SER87 4.6 0.1 1.0
SG 2:CYS83 4.7 97.5 1.0
O 2:SER127 4.8 0.1 1.0
C 1:PRO98 4.8 95.3 1.0
C 2:GLY126 4.9 93.6 1.0
C 2:LEU125 4.9 97.1 1.0
CA 1:GLY99 4.9 0.6 1.0
OG 2:SER87 5.0 0.2 1.0
SG 2:CYS88 5.0 18.2 1.0

Iron binding site 7 out of 64 in 4hea

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Iron binding site 7 out of 64 in the Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
3:Fe801

b:14.3
occ:1.00
 FE1 3:SF4801 0.0 14.3 1.0
S2 3:SF4801 2.3 14.3 1.0
S3 3:SF4801 2.3 14.3 1.0
S4 3:SF4801 2.3 14.3 1.0
SG 3:CYS128 2.3 48.7 1.0
FE4 3:SF4801 2.7 14.3 1.0
FE3 3:SF4801 2.7 14.3 1.0
FE2 3:SF4801 2.8 14.3 1.0
CB 3:CYS128 3.4 11.5 1.0
S1 3:SF4801 4.0 14.3 1.0
CG 3:GLN131 4.2 10.5 1.0
NE2 3:HIS115 4.4 24.4 1.0
CB 3:LEU130 4.5 14.6 1.0
CB 3:LYS124 4.6 38.6 1.0
CG1 3:VAL232 4.6 44.2 1.0
N 3:GLN131 4.6 29.9 1.0
CD2 3:LEU130 4.7 27.5 1.0
SG 3:CYS122 4.7 32.1 1.0
CB 3:GLN131 4.8 10.4 1.0
CD 3:GLN131 4.8 24.8 1.0
SG 3:CYS119 4.9 17.3 1.0
CG 3:LYS124 4.9 48.9 1.0
CA 3:CYS128 4.9 12.9 1.0
CG 3:LEU130 4.9 19.9 1.0
N 3:GLY233 4.9 11.6 1.0
CB 3:VAL232 4.9 39.9 1.0
CA 3:VAL232 5.0 14.3 1.0

Iron binding site 8 out of 64 in 4hea

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Iron binding site 8 out of 64 in the Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
3:Fe801

b:14.3
occ:1.00
 FE2 3:SF4801 0.0 14.3 1.0
S1 3:SF4801 2.3 14.3 1.0
S4 3:SF4801 2.3 14.3 1.0
S3 3:SF4801 2.3 14.3 1.0
SG 3:CYS119 2.3 17.3 1.0
FE3 3:SF4801 2.6 14.3 1.0
FE4 3:SF4801 2.7 14.3 1.0
FE1 3:SF4801 2.8 14.3 1.0
CB 3:CYS119 3.4 18.3 1.0
CA 3:CYS119 3.4 32.3 1.0
N 3:CYS119 3.5 7.3 1.0
S2 3:SF4801 3.9 14.3 1.0
NE2 3:GLN131 4.0 19.9 1.0
CG 3:GLN131 4.2 10.5 1.0
C 3:ASP118 4.4 23.4 1.0
CD 3:GLN131 4.4 24.8 1.0
CB 3:CYS122 4.7 24.5 1.0
SG 3:CYS122 4.7 32.1 1.0
NE2 3:HIS115 4.7 24.4 1.0
C 3:CYS119 4.8 38.2 1.0
CG1 4:ILE325 4.8 49.0 1.0
N 3:ASP118 4.9 47.1 1.0
SG 3:CYS128 4.9 48.7 1.0

Iron binding site 9 out of 64 in 4hea

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Iron binding site 9 out of 64 in the Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
3:Fe801

b:14.3
occ:1.00
 FE3 3:SF4801 0.0 14.3 1.0
NE2 3:HIS115 2.2 24.4 1.0
S1 3:SF4801 2.3 14.3 1.0
S4 3:SF4801 2.3 14.3 1.0
S2 3:SF4801 2.3 14.3 1.0
FE2 3:SF4801 2.6 14.3 1.0
FE4 3:SF4801 2.7 14.3 1.0
FE1 3:SF4801 2.7 14.3 1.0
CD2 3:HIS115 3.0 47.3 1.0
CE1 3:HIS115 3.3 29.3 1.0
S3 3:SF4801 3.9 14.3 1.0
CG 3:HIS115 4.2 56.5 1.0
ND1 3:HIS115 4.3 35.2 1.0
CD2 3:LEU130 4.5 27.5 1.0
CD 3:ARG180 4.6 58.3 1.0
CG 3:ARG180 4.6 53.9 1.0
SG 3:CYS119 4.7 17.3 1.0
SG 3:CYS122 4.8 32.1 1.0
SG 3:CYS128 4.9 48.7 1.0
N 3:ASP118 4.9 47.1 1.0

Iron binding site 10 out of 64 in 4hea

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Iron binding site 10 out of 64 in the Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of the Entire Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
3:Fe801

b:14.3
occ:1.00
 FE4 3:SF4801 0.0 14.3 1.0
SG 3:CYS122 2.3 32.1 1.0
S2 3:SF4801 2.3 14.3 1.0
S3 3:SF4801 2.3 14.3 1.0
S1 3:SF4801 2.3 14.3 1.0
FE3 3:SF4801 2.7 14.3 1.0
FE1 3:SF4801 2.7 14.3 1.0
FE2 3:SF4801 2.7 14.3 1.0
CB 3:CYS122 3.1 24.5 1.0
S4 3:SF4801 3.9 14.3 1.0
CB 3:LYS124 4.1 38.6 1.0
CD 3:ARG180 4.1 58.3 1.0
NE 3:ARG180 4.3 61.0 1.0
N 3:CYS119 4.5 7.3 1.0
CA 3:CYS119 4.5 32.3 1.0
CA 3:CYS122 4.6 21.9 1.0
NE2 3:HIS115 4.6 24.4 1.0
C 3:ASP118 4.7 23.4 1.0
CZ 3:ARG180 4.7 61.2 1.0
SG 3:CYS128 4.8 48.7 1.0
SG 3:CYS119 4.8 17.3 1.0
N 3:GLY233 4.9 11.6 1.0
CB 3:ASP118 4.9 61.3 1.0
CG 3:ARG180 5.0 53.9 1.0

Reference:

R.Baradaran, J.M.Berrisford, G.S.Minhas, L.A.Sazanov. Crystal Structure of the Entire Respiratory Complex I. Nature V. 494 443 2013.
ISSN: ISSN 0028-0836
PubMed: 23417064
DOI: 10.1038/NATURE11871
Page generated: Mon Aug 5 03:19:39 2024

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