Atomistry » Iron » PDB 1k2r-1kqg » 1kfy
Atomistry »
  Iron »
    PDB 1k2r-1kqg »
      1kfy »

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

Go back to Iron Binding Sites List in 1kfy
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

Go back to Iron Binding Sites List in 1kfy
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

Go back to Iron Binding Sites List in 1kfy
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

Go back to Iron Binding Sites List in 1kfy
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

Go back to Iron Binding Sites List in 1kfy
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

Go back to Iron Binding Sites List in 1kfy
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

Go back to Iron Binding Sites List in 1kfy
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

Go back to Iron Binding Sites List in 1kfy
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

Go back to Iron Binding Sites List in 1kfy
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

Go back to Iron Binding Sites List in 1kfy
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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy