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Iron in PDB 1kfy: Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol

Enzymatic activity of Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol

All present enzymatic activity of Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol:
1.3.99.1;

Protein crystallography data

The structure of Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol, PDB code: 1kfy was solved by T.M.Iverson, C.Luna-Chavez, L.R.Croal, G.Cecchini, D.C.Rees, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 3.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 96.147, 137.814, 270.986, 90.00, 90.00, 90.00
R / Rfree (%) 26.4 / 30.1

Other elements in 1kfy:

The structure of Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Iron atom in the Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol (pdb code 1kfy). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 18 binding sites of Iron where determined in the Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol, PDB code: 1kfy:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 18 in 1kfy

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Iron binding site 1 out of 18 in the Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe244

b:11.1
occ:1.00
 FE1 B:FES244 0.0 11.1 1.0
S1 B:FES244 2.2 11.1 1.0
SG B:CYS77 2.2 11.1 1.0
S2 B:FES244 2.3 11.1 1.0
SG B:CYS65 2.3 30.1 1.0
FE2 B:FES244 2.8 11.1 1.0
CB B:CYS65 3.0 30.1 1.0
CB B:CYS77 3.4 11.1 1.0
CA B:CYS65 4.0 25.3 1.0
N B:CYS65 4.1 25.3 1.0
SG B:CYS57 4.3 52.4 1.0
N B:CYS77 4.3 15.2 1.0
N B:ALA60 4.3 11.1 1.0
N B:ARG58 4.4 45.4 1.0
CA B:ALA60 4.4 11.1 1.0
CA B:CYS77 4.5 15.2 1.0
SG B:CYS62 4.7 11.1 1.0
CB B:LEU75 4.8 11.1 1.0
CA B:ARG58 4.8 45.4 1.0
CD1 B:LEU75 4.9 11.1 1.0
N B:MET59 5.0 22.3 1.0

Iron binding site 2 out of 18 in 1kfy

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Iron binding site 2 out of 18 in the Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe244

b:11.1
occ:1.00
 FE2 B:FES244 0.0 11.1 1.0
SG B:CYS57 2.2 52.4 1.0
SG B:CYS62 2.3 11.1 1.0
S2 B:FES244 2.3 11.1 1.0
S1 B:FES244 2.3 11.1 1.0
FE1 B:FES244 2.8 11.1 1.0
CB B:CYS57 3.2 52.4 1.0
CB B:CYS62 3.3 11.1 1.0
N B:CYS62 3.4 18.9 1.0
N B:GLY63 3.5 47.8 1.0
N B:CYS57 3.5 11.1 1.0
CA B:CYS62 3.8 18.9 1.0
CA B:CYS57 3.8 11.1 1.0
N B:ARG58 3.9 45.4 1.0
C B:CYS62 4.1 18.9 1.0
N B:ILE61 4.1 11.1 1.0
C B:CYS57 4.3 11.1 1.0
N B:ALA60 4.4 11.1 1.0
N B:SER64 4.4 23.4 1.0
OG B:SER64 4.4 68.2 1.0
SG B:CYS77 4.4 11.1 1.0
CA B:ALA60 4.5 11.1 1.0
N B:SER56 4.5 35.8 1.0
C B:SER56 4.6 35.8 1.0
CA B:GLY63 4.6 47.8 1.0
C B:ILE61 4.6 11.1 1.0
N B:MET59 4.7 22.3 1.0
C B:ALA60 4.7 11.1 1.0
SG B:CYS65 4.9 30.1 1.0
N B:CYS65 4.9 25.3 1.0
CA B:SER56 5.0 35.8 1.0
CA B:ARG58 5.0 45.4 1.0
C B:GLY63 5.0 47.8 1.0

Iron binding site 3 out of 18 in 1kfy

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Iron binding site 3 out of 18 in the Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe245

b:11.1
occ:1.00
 FE1 B:F3S245 0.0 11.1 1.0
S3 B:F3S245 2.2 11.1 1.0
S1 B:F3S245 2.3 11.1 1.0
S2 B:F3S245 2.3 11.1 1.0
SG B:CYS204 2.3 35.1 1.0
FE3 B:F3S245 2.8 11.1 1.0
FE4 B:F3S245 2.8 11.1 1.0
CB B:CYS204 3.3 35.1 1.0
N B:PHE206 3.7 41.6 1.0
CA B:PHE206 3.9 41.6 1.0
CA B:CYS204 3.9 83.9 1.0
S4 B:F3S245 4.0 11.1 1.0
CD1 B:ILE224 4.1 12.2 1.0
N B:VAL207 4.2 11.1 1.0
N B:THR205 4.2 36.5 1.0
C B:CYS204 4.3 83.9 1.0
C B:PHE206 4.5 41.6 1.0
SG B:CYS210 4.7 20.0 1.0
C B:THR205 4.8 36.5 1.0
N B:GLY208 4.8 22.7 1.0
SG B:CYS158 4.9 32.2 1.0

Iron binding site 4 out of 18 in 1kfy

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Iron binding site 4 out of 18 in the Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe245

b:11.1
occ:1.00
 FE3 B:F3S245 0.0 11.1 1.0
SG B:CYS210 2.2 20.0 1.0
S1 B:F3S245 2.2 11.1 1.0
S4 B:F3S245 2.3 11.1 1.0
S3 B:F3S245 2.3 11.1 1.0
FE4 B:F3S245 2.6 11.1 1.0
FE1 B:F3S245 2.8 11.1 1.0
CB B:CYS210 3.4 20.0 1.0
S2 B:F3S245 3.8 11.1 1.0
N B:CYS210 4.0 26.3 1.0
N B:GLY208 4.1 22.7 1.0
CA B:GLY208 4.3 22.7 1.0
CA B:CYS210 4.4 26.3 1.0
N B:TYR209 4.5 11.1 1.0
C B:GLY208 4.6 22.7 1.0
SG B:CYS158 4.6 32.2 1.0
CB B:ALA221 4.7 54.0 1.0
CD1 B:ILE224 4.7 12.2 1.0
CB B:CYS158 4.8 32.2 1.0
CB B:PRO170 4.8 11.1 1.0
CA B:ALA221 4.9 11.1 1.0
SG B:CYS204 4.9 35.1 1.0
N B:VAL207 4.9 11.1 1.0

Iron binding site 5 out of 18 in 1kfy

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Iron binding site 5 out of 18 in the Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe245

b:11.1
occ:1.00
 FE4 B:F3S245 0.0 11.1 1.0
SG B:CYS158 2.3 32.2 1.0
S4 B:F3S245 2.3 11.1 1.0
S3 B:F3S245 2.3 11.1 1.0
S2 B:F3S245 2.3 11.1 1.0
FE3 B:F3S245 2.6 11.1 1.0
FE1 B:F3S245 2.8 11.1 1.0
CB B:CYS158 3.2 32.2 1.0
CA B:CYS158 3.8 23.7 1.0
S1 B:F3S245 3.9 11.1 1.0
CE2 B:PHE167 4.5 30.5 1.0
CD B:PRO159 4.5 35.2 1.0
C B:CYS158 4.5 23.7 1.0
CB B:GLN160 4.6 32.3 1.0
SG B:CYS210 4.6 20.0 1.0
N B:PRO159 4.7 11.1 1.0
CG B:GLN160 4.7 32.3 1.0
CB B:VAL207 4.8 30.8 1.0
N B:GLN160 4.8 11.1 1.0
N B:CYS158 4.9 23.7 1.0
SG B:CYS204 4.9 35.1 1.0
N B:VAL207 5.0 11.1 1.0
CZ B:PHE167 5.0 30.5 1.0

Iron binding site 6 out of 18 in 1kfy

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Iron binding site 6 out of 18 in the Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe246

b:11.1
occ:1.00
 FE1 B:SF4246 0.0 11.1 1.0
SG B:CYS151 2.1 35.2 1.0
S2 B:SF4246 2.1 11.1 1.0
S4 B:SF4246 2.1 11.1 1.0
S3 B:SF4246 2.3 11.1 1.0
FE2 B:SF4246 2.7 11.1 1.0
FE3 B:SF4246 2.7 11.1 1.0
FE4 B:SF4246 2.8 11.1 1.0
N B:CYS151 3.3 11.1 1.0
CB B:CYS151 3.4 35.2 1.0
N B:GLY152 3.5 54.5 1.0
CA B:CYS151 3.7 11.1 1.0
S1 B:SF4246 3.9 11.1 1.0
C B:CYS151 4.0 11.1 1.0
N B:LEU153 4.1 28.3 1.0
C B:ASN150 4.4 21.4 1.0
CG1 B:ILE149 4.5 11.2 1.0
CA B:GLY152 4.5 54.5 1.0
CD B:PRO215 4.5 25.7 1.0
N B:ASN150 4.6 21.4 1.0
SG B:CYS148 4.6 29.9 1.0
SG B:CYS154 4.7 27.4 1.0
CA B:ASN150 4.7 21.4 1.0
C B:GLY152 4.7 54.5 1.0
N B:CYS154 4.8 29.9 1.0
CB B:LEU153 4.8 43.1 1.0
CG B:PRO215 4.8 25.7 1.0
SG B:CYS214 4.9 47.6 1.0
CA B:LEU153 5.0 28.3 1.0

Iron binding site 7 out of 18 in 1kfy

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Iron binding site 7 out of 18 in the Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe246

b:11.1
occ:1.00
 FE2 B:SF4246 0.0 11.1 1.0
SG B:CYS148 2.2 29.9 1.0
S1 B:SF4246 2.2 11.1 1.0
S4 B:SF4246 2.2 11.1 1.0
S3 B:SF4246 2.3 11.1 1.0
FE3 B:SF4246 2.4 11.1 1.0
FE4 B:SF4246 2.6 11.1 1.0
FE1 B:SF4246 2.7 11.1 1.0
CB B:CYS148 3.5 29.9 1.0
S2 B:SF4246 3.5 11.1 1.0
CA B:CYS148 3.9 31.4 1.0
N B:ASN150 4.1 21.4 1.0
N B:ILE149 4.2 24.1 1.0
CB B:ALA171 4.4 47.7 1.0
C B:CYS148 4.4 31.4 1.0
CA B:ASN150 4.4 21.4 1.0
N B:CYS151 4.5 11.1 1.0
SG B:CYS154 4.5 27.4 1.0
SG B:CYS214 4.6 47.6 1.0
SG B:CYS151 4.7 35.2 1.0
C B:ASN150 4.9 21.4 1.0
CA B:ALA171 5.0 70.2 1.0

Iron binding site 8 out of 18 in 1kfy

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Iron binding site 8 out of 18 in the Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe246

b:11.1
occ:1.00
 FE3 B:SF4246 0.0 11.1 1.0
S2 B:SF4246 2.0 11.1 1.0
S1 B:SF4246 2.1 11.1 1.0
S4 B:SF4246 2.3 11.1 1.0
SG B:CYS154 2.3 27.4 1.0
FE2 B:SF4246 2.4 11.1 1.0
FE4 B:SF4246 2.6 11.1 1.0
FE1 B:SF4246 2.7 11.1 1.0
CB B:CYS154 3.3 27.4 1.0
S3 B:SF4246 3.7 11.1 1.0
N B:CYS154 3.9 29.9 1.0
CA B:CYS154 4.2 29.9 1.0
CB B:ALA171 4.2 47.7 1.0
SG B:CYS148 4.3 29.9 1.0
SG B:CYS151 4.5 35.2 1.0
N B:GLY152 4.5 54.5 1.0
SG B:CYS214 4.7 47.6 1.0
N B:LEU153 4.7 28.3 1.0
CA B:ALA171 4.8 70.2 1.0
CA B:GLY152 4.9 54.5 1.0
N B:ALA171 4.9 70.2 1.0
C B:GLY152 5.0 54.5 1.0

Iron binding site 9 out of 18 in 1kfy

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Iron binding site 9 out of 18 in the Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe246

b:11.1
occ:1.00
 FE4 B:SF4246 0.0 11.1 1.0
S1 B:SF4246 2.1 11.1 1.0
S3 B:SF4246 2.3 11.1 1.0
SG B:CYS214 2.3 47.6 1.0
S2 B:SF4246 2.4 11.1 1.0
FE3 B:SF4246 2.6 11.1 1.0
FE2 B:SF4246 2.6 11.1 1.0
FE1 B:SF4246 2.8 11.1 1.0
CB B:CYS214 3.3 47.6 1.0
CA B:CYS214 3.7 27.5 1.0
S4 B:SF4246 3.8 11.1 1.0
CD B:PRO215 4.4 25.7 1.0
SG B:CYS151 4.5 35.2 1.0
C B:CYS214 4.5 27.5 1.0
SG B:CYS148 4.6 29.9 1.0
CB B:VAL218 4.7 69.0 1.0
SG B:CYS154 4.7 27.4 1.0
CG2 B:VAL218 4.7 69.0 1.0
N B:PRO215 4.7 39.2 1.0
N B:CYS214 4.8 27.5 1.0

Iron binding site 10 out of 18 in 1kfy

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Iron binding site 10 out of 18 in the Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Quinol-Fumarate Reductase with Quinol Inhibitor 2-[1-(4-Chloro- Phenyl)-Ethyl]-4,6-Dinitro-Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Fe244

b:11.1
occ:1.00
 FE1 N:FES244 0.0 11.1 1.0
S2 N:FES244 2.2 11.1 1.0
SG N:CYS65 2.3 62.8 1.0
SG N:CYS77 2.3 43.2 1.0
S1 N:FES244 2.3 11.1 1.0
FE2 N:FES244 2.8 11.1 1.0
CB N:CYS77 3.3 43.2 1.0
CB N:CYS65 3.3 62.8 1.0
N N:CYS65 4.0 35.2 1.0
N N:CYS77 4.2 72.2 1.0
CA N:CYS65 4.2 35.2 1.0
CA N:CYS77 4.3 72.2 1.0
N N:ALA60 4.4 45.0 1.0
SG N:CYS57 4.4 48.5 1.0
CA N:ALA60 4.5 45.0 1.0
CB N:LEU75 4.6 14.1 1.0
N N:ARG58 4.7 31.7 1.0
SG N:CYS62 4.8 44.8 1.0
CD2 N:LEU37 4.9 36.8 1.0
CD2 N:LEU75 4.9 14.1 1.0
N N:SER64 5.0 64.8 1.0

Reference:

T.M.Iverson, C.Luna-Chavez, L.R.Croal, G.Cecchini, D.C.Rees. Crystallographic Studies of the Escherichia Coli Quinol-Fumarate Reductase with Inhibitors Bound to the Quinol-Binding Site. J.Biol.Chem. V. 277 16124 2002.
ISSN: ISSN 0021-9258
PubMed: 11850430
DOI: 10.1074/JBC.M200815200
Page generated: Sat Aug 3 09:09:15 2024

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