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Iron in PDB 2fug: Crystal Structure of the Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus

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

All present enzymatic activity of Crystal Structure of the Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus:
1.6.99.5;

Protein crystallography data

The structure of Crystal Structure of the Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus, PDB code: 2fug was solved by L.A.Sazanov, P.Hinchliffe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 3.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 135.080, 266.112, 201.731, 90.00, 104.71, 90.00
R / Rfree (%) 26.5 / 29.8

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 - 70; Page 8, Binding sites: 71 - 80; Page 9, Binding sites: 81 - 90; Page 10, Binding sites: 91 - 100; Page 11, Binding sites: 101 - 110; Page 12, Binding sites: 111 - 120; Page 13, Binding sites: 121 - 128;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of the Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus (pdb code 2fug). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 128 binding sites of Iron where determined in the Crystal Structure of the Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus, PDB code: 2fug:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 128 in 2fug

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Iron binding site 1 out of 128 in the Crystal Structure of the Hydrophilic Domain of 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 Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Fe439

b:3.9
occ:1.00
 FE1 1:SF4439 0.0 3.9 1.0
S2 1:SF4439 2.2 15.2 1.0
S4 1:SF4439 2.2 17.4 1.0
S3 1:SF4439 2.3 17.2 1.0
SG 1:CYS353 2.3 26.0 1.0
FE3 1:SF4439 2.6 9.4 1.0
FE4 1:SF4439 2.6 9.9 1.0
FE2 1:SF4439 2.7 1.0 1.0
CB 1:CYS353 3.3 27.3 1.0
S1 1:SF4439 3.7 17.2 1.0
N 1:GLY354 3.8 40.5 1.0
N 1:CYS353 3.8 40.0 1.0
CA 1:CYS353 4.0 36.5 1.0
N 1:LYS355 4.3 38.1 1.0
C 1:CYS353 4.4 38.4 1.0
CD 1:PRO199 4.4 20.3 1.0
OG 1:SER352 4.5 57.0 1.0
CB 1:LYS355 4.5 39.1 1.0
SG 1:CYS400 4.6 17.7 1.0
SG 1:CYS356 4.6 22.6 1.0
CG 1:PRO199 4.7 16.5 1.0
SG 1:CYS359 4.7 17.4 1.0
CA 1:GLY354 4.9 40.3 1.0
N 1:CYS356 4.9 40.7 1.0
C 1:SER352 5.0 46.4 1.0
CA 1:LYS355 5.0 39.3 1.0

Iron binding site 2 out of 128 in 2fug

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Iron binding site 2 out of 128 in the Crystal Structure of the Hydrophilic Domain of 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 Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Fe439

b:1.0
occ:1.00
 FE2 1:SF4439 0.0 1.0 1.0
S1 1:SF4439 2.2 17.2 1.0
S3 1:SF4439 2.2 17.2 1.0
SG 1:CYS359 2.2 17.4 1.0
S4 1:SF4439 2.2 17.4 1.0
FE4 1:SF4439 2.6 9.9 1.0
FE3 1:SF4439 2.6 9.4 1.0
FE1 1:SF4439 2.7 3.9 1.0
CB 1:CYS359 3.1 26.4 1.0
OG 1:SER352 3.5 57.0 1.0
S2 1:SF4439 3.8 15.2 1.0
N 1:CYS353 4.3 40.0 1.0
CB 1:SER352 4.4 50.6 1.0
CA 1:CYS359 4.5 30.9 1.0
CB 1:LEU402 4.5 13.0 1.0
SG 1:CYS356 4.5 22.6 1.0
CA 1:SER352 4.6 50.1 1.0
SG 1:CYS400 4.7 17.7 1.0
SG 1:CYS353 4.7 26.0 1.0
CB 1:CYS356 4.7 33.5 1.0
N 1:ALA403 4.8 19.3 1.0
CD2 1:LEU402 4.8 12.8 1.0
C 1:CYS359 4.8 33.2 1.0
N 1:GLY354 4.9 40.5 1.0
C 1:SER352 5.0 46.4 1.0

Iron binding site 3 out of 128 in 2fug

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Iron binding site 3 out of 128 in the Crystal Structure of the Hydrophilic Domain of 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 Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Fe439

b:9.4
occ:1.00
 FE3 1:SF4439 0.0 9.4 1.0
S2 1:SF4439 2.2 15.2 1.0
S1 1:SF4439 2.2 17.2 1.0
S4 1:SF4439 2.2 17.4 1.0
SG 1:CYS356 2.3 22.6 1.0
FE4 1:SF4439 2.6 9.9 1.0
FE1 1:SF4439 2.6 3.9 1.0
FE2 1:SF4439 2.6 1.0 1.0
CB 1:CYS356 3.2 33.5 1.0
S3 1:SF4439 3.7 17.2 1.0
N 1:CYS356 3.8 40.7 1.0
CB 1:PHE399 3.9 44.9 1.0
N 1:PHE399 4.0 41.4 1.0
CA 1:CYS356 4.1 37.5 1.0
N 1:CYS400 4.2 37.7 1.0
CB 1:CYS359 4.4 26.4 1.0
SG 1:CYS359 4.4 17.4 1.0
CA 1:PHE399 4.5 41.4 1.0
CB 1:LYS355 4.6 39.1 1.0
SG 1:CYS400 4.6 17.7 1.0
SG 1:CYS353 4.6 26.0 1.0
N 1:LYS355 4.8 38.1 1.0
C 1:LYS355 4.8 40.2 1.0
C 1:PHE399 4.9 40.6 1.0
CB 1:SER398 5.0 44.5 1.0
CA 1:LYS355 5.0 39.3 1.0
CB 1:CYS400 5.0 24.7 1.0

Iron binding site 4 out of 128 in 2fug

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Iron binding site 4 out of 128 in the Crystal Structure of the Hydrophilic Domain of 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 Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
1:Fe439

b:9.9
occ:1.00
 FE4 1:SF4439 0.0 9.9 1.0
S1 1:SF4439 2.1 17.2 1.0
S3 1:SF4439 2.2 17.2 1.0
S2 1:SF4439 2.2 15.2 1.0
SG 1:CYS400 2.3 17.7 1.0
FE3 1:SF4439 2.6 9.4 1.0
FE2 1:SF4439 2.6 1.0 1.0
FE1 1:SF4439 2.6 3.9 1.0
CB 1:CYS400 3.3 24.7 1.0
S4 1:SF4439 3.7 17.4 1.0
N 1:CYS400 3.8 37.7 1.0
CB 1:LEU402 3.9 13.0 1.0
CA 1:CYS400 4.0 30.1 1.0
O 1:CYS400 4.1 29.3 1.0
C 1:CYS400 4.2 27.8 1.0
CG 1:PRO199 4.5 16.5 1.0
N 1:LEU402 4.5 16.0 1.0
CD1 1:ILE181 4.6 25.5 1.0
SG 1:CYS356 4.6 22.6 1.0
SG 1:CYS359 4.7 17.4 1.0
SG 1:CYS353 4.7 26.0 1.0
CA 1:LEU402 4.8 14.7 1.0
N 1:ALA403 4.8 19.3 1.0
CD 1:PRO199 4.9 20.3 1.0
C 1:PHE399 5.0 40.6 1.0
CD1 1:LEU402 5.0 8.9 1.0

Iron binding site 5 out of 128 in 2fug

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Iron binding site 5 out of 128 in the Crystal Structure of the Hydrophilic Domain of 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 Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
2:Fe182

b:4.2
occ:1.00
 FE1 2:FES182 0.0 4.2 1.0
S2 2:FES182 2.1 19.5 1.0
S1 2:FES182 2.2 19.5 1.0
SG 2:CYS88 2.2 24.3 1.0
SG 2:CYS83 2.3 21.0 1.0
FE2 2:FES182 2.6 1.0 1.0
CB 2:CYS88 3.3 37.3 1.0
CB 2:CYS83 3.5 24.4 1.0
N 2:CYS88 3.9 52.1 1.0
OG 2:SER87 4.0 78.0 1.0
CA 2:CYS124 4.0 60.3 1.0
CA 2:CYS88 4.1 47.0 1.0
N 2:LEU125 4.4 57.6 1.0
SG 2:CYS124 4.4 35.1 1.0
CA 2:CYS128 4.5 40.1 1.0
SG 2:CYS128 4.6 26.1 1.0
CB 2:CYS124 4.6 48.2 1.0
O 2:THR85 4.7 47.0 1.0
CB 2:SER87 4.7 59.7 1.0
C 2:CYS124 4.7 60.6 1.0
N 2:CYS124 4.8 67.9 1.0
CA 2:CYS83 4.8 34.8 1.0
C 2:SER87 4.8 55.2 1.0
CB 2:CYS128 4.9 33.3 1.0
CG2 2:VAL133 4.9 42.7 1.0
N 2:CYS128 5.0 41.6 1.0

Iron binding site 6 out of 128 in 2fug

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Iron binding site 6 out of 128 in the Crystal Structure of the Hydrophilic Domain of 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 Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
2:Fe182

b:1.0
occ:1.00
 FE2 2:FES182 0.0 1.0 1.0
S1 2:FES182 2.1 19.5 1.0
S2 2:FES182 2.2 19.5 1.0
SG 2:CYS124 2.3 35.1 1.0
SG 2:CYS128 2.3 26.1 1.0
FE1 2:FES182 2.6 4.2 1.0
CB 2:CYS124 3.3 48.2 1.0
CB 2:CYS128 3.4 33.3 1.0
CA 2:CYS124 3.5 60.3 1.0
CA 2:CYS128 3.7 40.1 1.0
OG 2:SER87 3.9 78.0 1.0
N 2:CYS128 3.9 41.6 1.0
C 2:CYS124 4.1 60.6 1.0
CB 2:SER87 4.2 59.7 1.0
SG 2:CYS83 4.2 21.0 1.0
N 2:LEU125 4.2 57.6 1.0
N 2:GLY126 4.3 45.6 1.0
N 1:GLY99 4.5 44.1 1.0
SG 2:CYS88 4.6 24.3 1.0
C 2:SER127 4.7 42.1 1.0
N 2:CYS124 4.8 67.9 1.0
N 2:SER127 4.8 43.6 1.0
O 2:CYS124 4.8 63.0 1.0
CA 2:GLY126 4.9 44.9 1.0

Iron binding site 7 out of 128 in 2fug

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Iron binding site 7 out of 128 in the Crystal Structure of the Hydrophilic Domain of 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 Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
3:Fe784

b:1.0
occ:1.00
 FE1 3:SF4784 0.0 1.0 1.0
S2 3:SF4784 2.1 15.1 1.0
S3 3:SF4784 2.2 12.4 1.0
S4 3:SF4784 2.2 13.7 1.0
SG 3:CYS122 2.3 21.4 1.0
FE4 3:SF4784 2.6 16.3 1.0
FE3 3:SF4784 2.6 1.0 1.0
FE2 3:SF4784 2.6 5.7 1.0
CB 3:CYS122 3.1 22.5 1.0
S1 3:SF4784 3.7 15.6 1.0
CB 3:LYS124 4.1 36.9 1.0
NH1 3:ARG178 4.3 37.0 1.0
N 3:CYS119 4.5 27.1 1.0
CA 3:CYS119 4.5 21.9 1.0
NE2 3:HIS115 4.5 25.6 1.0
N 3:GLY233 4.6 35.0 1.0
SG 3:CYS128 4.6 7.6 1.0
CA 3:GLY233 4.6 36.6 1.0
CA 3:CYS122 4.6 31.5 1.0
SG 3:CYS119 4.7 8.5 1.0
C 3:ASP118 4.9 34.9 1.0

Iron binding site 8 out of 128 in 2fug

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Iron binding site 8 out of 128 in the Crystal Structure of the Hydrophilic Domain of 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 Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
3:Fe784

b:5.7
occ:1.00
 FE2 3:SF4784 0.0 5.7 1.0
S1 3:SF4784 2.2 15.6 1.0
S3 3:SF4784 2.2 12.4 1.0
S4 3:SF4784 2.2 13.7 1.0
SG 3:CYS119 2.3 8.5 1.0
FE4 3:SF4784 2.6 16.3 1.0
FE3 3:SF4784 2.6 1.0 1.0
FE1 3:SF4784 2.6 1.0 1.0
CB 3:CYS119 3.4 14.8 1.0
OE1 3:GLN131 3.4 21.3 1.0
CA 3:CYS119 3.5 21.9 1.0
N 3:CYS119 3.6 27.1 1.0
S2 3:SF4784 3.7 15.1 1.0
CD 3:GLN131 4.1 22.3 1.0
CG 3:GLN131 4.2 24.2 1.0
NE2 3:HIS115 4.5 25.6 1.0
OE1 4:GLU322 4.6 34.5 1.0
SG 3:CYS128 4.6 7.6 1.0
SG 3:CYS122 4.6 21.4 1.0
CD2 3:HIS115 4.6 39.1 1.0
C 3:ASP118 4.6 34.9 1.0
CB 3:CYS122 4.7 22.5 1.0
CG1 4:ILE325 4.7 24.1 1.0
C 3:CYS119 4.9 24.0 1.0
N 3:ASP118 5.0 44.6 1.0

Iron binding site 9 out of 128 in 2fug

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Iron binding site 9 out of 128 in the Crystal Structure of the Hydrophilic Domain of 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 Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
3:Fe784

b:1.0
occ:1.00
 FE3 3:SF4784 0.0 1.0 1.0
S4 3:SF4784 2.2 13.7 1.0
S2 3:SF4784 2.2 15.1 1.0
SG 3:CYS128 2.2 7.6 1.0
S1 3:SF4784 2.2 15.6 1.0
FE1 3:SF4784 2.6 1.0 1.0
FE4 3:SF4784 2.6 16.3 1.0
FE2 3:SF4784 2.6 5.7 1.0
CB 3:CYS128 3.3 21.4 1.0
S3 3:SF4784 3.7 12.4 1.0
CG1 3:VAL232 4.1 26.9 1.0
CG 3:GLN131 4.1 24.2 1.0
CD 3:GLN131 4.3 22.3 1.0
OE1 3:GLN131 4.3 21.3 1.0
NE2 3:HIS115 4.4 25.6 1.0
CB 3:LYS124 4.5 36.9 1.0
CB 3:LEU130 4.6 22.4 1.0
SG 3:CYS122 4.6 21.4 1.0
SG 3:CYS119 4.7 8.5 1.0
N 3:GLN131 4.7 27.0 1.0
CA 3:CYS128 4.7 26.7 1.0
CB 3:GLN131 4.8 27.7 1.0
NE2 3:GLN131 5.0 20.9 1.0
N 3:GLY233 5.0 35.0 1.0

Iron binding site 10 out of 128 in 2fug

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Iron binding site 10 out of 128 in the Crystal Structure of the Hydrophilic Domain of 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 Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus within 5.0Å range:
probe atom residue distance (Å) B Occ
3:Fe784

b:16.3
occ:1.00
 FE4 3:SF4784 0.0 16.3 1.0
NE2 3:HIS115 2.1 25.6 1.0
S3 3:SF4784 2.2 12.4 1.0
S1 3:SF4784 2.2 15.6 1.0
S2 3:SF4784 2.2 15.1 1.0
FE1 3:SF4784 2.6 1.0 1.0
FE2 3:SF4784 2.6 5.7 1.0
FE3 3:SF4784 2.6 1.0 1.0
CD2 3:HIS115 2.9 39.1 1.0
CE1 3:HIS115 3.3 39.5 1.0
S4 3:SF4784 3.7 13.7 1.0
CG 3:HIS115 4.1 40.8 1.0
CG1 3:VAL232 4.2 26.9 1.0
ND1 3:HIS115 4.3 38.9 1.0
CD2 3:LEU130 4.6 19.9 1.0
SG 3:CYS128 4.6 7.6 1.0
SG 3:CYS119 4.6 8.5 1.0
SG 3:CYS122 4.7 21.4 1.0
OE1 4:GLU322 4.7 34.5 1.0

Reference:

L.A.Sazanov, P.Hinchliffe. Structure of the Hydrophilic Domain of Respiratory Complex I From Thermus Thermophilus. Science V. 311 1430 2006.
ISSN: ISSN 0036-8075
PubMed: 16469879
DOI: 10.1126/SCIENCE.1123809
Page generated: Sat Aug 3 21:42:25 2024

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