Iron in PDB 1kf6: E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno

All present enzymatic activity of E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno:
1.3.99.1;

The structure of E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno, PDB code: 1kf6 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)	20.00 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	96.505, 137.836, 273.451, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 28

The structure of E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno also contains other interesting chemical elements:

Potassium

(K)

2 atoms

Pages:

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

Binding sites:

The binding sites of Iron atom in the E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno (pdb code 1kf6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 18 binding sites of Iron where determined in the E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno, PDB code: 1kf6:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 18 in the E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe244 b:20.9 occ:1.00 FE1 B:FES244 0.0 20.9 1.0 S2 B:FES244 2.2 21.1 1.0 S1 B:FES244 2.2 22.8 1.0 SG B:CYS65 2.3 22.1 1.0 SG B:CYS77 2.3 22.5 1.0 FE2 B:FES244 2.7 23.9 1.0 CB B:CYS65 3.0 27.5 1.0 CB B:CYS77 3.3 23.8 1.0 CA B:CYS65 4.1 23.9 1.0 SG B:CYS57 4.2 25.2 1.0 N B:CYS77 4.3 28.3 1.0 N B:ALA60 4.3 31.9 1.0 N B:CYS65 4.3 26.7 1.0 CA B:CYS77 4.4 27.8 1.0 CA B:ALA60 4.4 31.9 1.0 N B:ARG58 4.6 25.9 1.0 SG B:CYS62 4.6 20.1 1.0 CB B:LEU75 4.7 19.2 1.0 CD1 B:LEU75 4.8 18.6 1.0 N B:MET59 5.0 31.4 1.0 CA B:ARG58 5.0 27.7 1.0 N B:SER64 5.0 26.7 1.0

Iron binding site 2 out of 18 in the E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe244 b:23.9 occ:1.00 FE2 B:FES244 0.0 23.9 1.0 SG B:CYS57 2.2 25.2 1.0 SG B:CYS62 2.2 20.1 1.0 S1 B:FES244 2.3 22.8 1.0 S2 B:FES244 2.3 21.1 1.0 FE1 B:FES244 2.7 20.9 1.0 CB B:CYS57 3.3 25.5 1.0 CB B:CYS62 3.4 22.7 1.0 N B:CYS57 3.5 26.7 1.0 N B:CYS62 3.5 27.6 1.0 N B:GLY63 3.7 28.1 1.0 CA B:CYS57 3.8 23.3 1.0 N B:ARG58 3.8 25.9 1.0 CA B:CYS62 3.8 25.2 1.0 C B:CYS62 4.2 26.1 1.0 N B:ILE61 4.2 27.8 1.0 C B:CYS57 4.2 22.8 1.0 SG B:CYS77 4.3 22.5 1.0 N B:ALA60 4.4 31.9 1.0 N B:SER64 4.4 26.7 1.0 N B:SER56 4.5 29.1 1.0 OG B:SER64 4.5 34.0 1.0 C B:SER56 4.5 29.3 1.0 CA B:ALA60 4.6 31.9 1.0 N B:MET59 4.6 31.4 1.0 CA B:GLY63 4.7 27.1 1.0 C B:ILE61 4.7 28.8 1.0 SG B:CYS65 4.7 22.1 1.0 C B:ALA60 4.8 33.5 1.0 CB B:CYS65 4.8 27.5 1.0 CA B:SER56 4.9 29.3 1.0 CA B:ARG58 4.9 27.7 1.0

Iron binding site 3 out of 18 in the E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe245 b:27.2 occ:1.00 FE1 B:F3S245 0.0 27.2 1.0 S3 B:F3S245 2.2 23.6 1.0 SG B:CYS204 2.2 27.7 1.0 S2 B:F3S245 2.2 27.9 1.0 S1 B:F3S245 2.3 25.4 1.0 FE4 B:F3S245 2.7 25.7 1.0 FE3 B:F3S245 2.7 25.8 1.0 CB B:CYS204 3.5 31.9 1.0 N B:PHE206 3.8 40.9 1.0 S4 B:F3S245 3.9 26.2 1.0 CA B:PHE206 4.0 36.1 1.0 CA B:CYS204 4.0 33.5 1.0 N B:VAL207 4.1 31.9 1.0 CD1 B:ILE224 4.2 32.0 1.0 N B:THR205 4.3 37.3 1.0 C B:CYS204 4.5 34.9 1.0 C B:PHE206 4.5 33.6 1.0 SG B:CYS158 4.6 29.1 1.0 N B:GLY208 4.8 35.2 1.0 C B:THR205 4.9 40.6 1.0 SG B:CYS210 4.9 25.9 1.0

Iron binding site 4 out of 18 in the E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe245 b:25.8 occ:1.00 FE3 B:F3S245 0.0 25.8 1.0 S1 B:F3S245 2.2 25.4 1.0 S4 B:F3S245 2.2 26.2 1.0 S3 B:F3S245 2.2 23.6 1.0 SG B:CYS210 2.4 25.9 1.0 FE4 B:F3S245 2.6 25.7 1.0 FE1 B:F3S245 2.7 27.2 1.0 CB B:CYS210 3.5 31.3 1.0 S2 B:F3S245 3.9 27.9 1.0 N B:GLY208 4.0 35.2 1.0 N B:CYS210 4.0 31.3 1.0 CA B:GLY208 4.2 31.8 1.0 CA B:CYS210 4.4 30.7 1.0 N B:TYR209 4.4 29.5 1.0 C B:GLY208 4.5 32.8 1.0 CD1 B:ILE224 4.6 32.0 1.0 SG B:CYS158 4.6 29.1 1.0 CB B:ALA221 4.7 24.6 1.0 SG B:CYS204 4.7 27.7 1.0 CB B:PRO170 4.8 18.3 1.0 CA B:ALA221 4.9 28.3 1.0 N B:VAL207 5.0 31.9 1.0

Iron binding site 5 out of 18 in the E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe245 b:25.7 occ:1.00 FE4 B:F3S245 0.0 25.7 1.0 S4 B:F3S245 2.2 26.2 1.0 SG B:CYS158 2.3 29.1 1.0 S3 B:F3S245 2.3 23.6 1.0 S2 B:F3S245 2.3 27.9 1.0 FE3 B:F3S245 2.6 25.8 1.0 FE1 B:F3S245 2.7 27.2 1.0 CB B:CYS158 3.3 30.4 1.0 S1 B:F3S245 3.8 25.4 1.0 CA B:CYS158 3.9 29.8 1.0 CD B:PRO159 4.4 36.2 1.0 CB B:GLN160 4.6 34.7 1.0 C B:CYS158 4.6 31.1 1.0 CB B:VAL207 4.6 30.5 1.0 CE2 B:PHE167 4.7 29.5 1.0 SG B:CYS204 4.7 27.7 1.0 SG B:CYS210 4.7 25.9 1.0 CG B:GLN160 4.8 37.9 1.0 N B:PRO159 4.8 34.1 1.0 N B:VAL207 4.8 31.9 1.0 N B:CYS158 4.9 27.7 1.0 N B:GLN160 4.9 37.5 1.0

Iron binding site 6 out of 18 in the E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe246 b:34.4 occ:1.00 FE1 B:SF4246 0.0 34.4 1.0 S4 B:SF4246 2.1 32.0 1.0 S3 B:SF4246 2.2 32.3 1.0 SG B:CYS151 2.2 22.3 1.0 S2 B:SF4246 2.3 32.6 1.0 FE2 B:SF4246 2.6 30.8 1.0 FE3 B:SF4246 2.7 31.7 1.0 FE4 B:SF4246 2.8 32.4 1.0 CB B:CYS151 3.5 23.9 1.0 N B:CYS151 3.6 31.6 1.0 N B:GLY152 3.7 35.1 1.0 S1 B:SF4246 3.8 32.2 1.0 CA B:CYS151 4.0 28.8 1.0 N B:LEU153 4.1 37.4 1.0 C B:CYS151 4.2 33.1 1.0 CD B:PRO215 4.2 29.9 1.0 CG1 B:ILE149 4.5 24.7 1.0 CG B:PRO215 4.6 31.6 1.0 SG B:CYS154 4.6 32.6 1.0 C B:ASN150 4.6 29.8 1.0 N B:ASN150 4.6 29.4 1.0 CA B:GLY152 4.6 36.2 1.0 SG B:CYS148 4.7 26.4 1.0 SG B:CYS214 4.8 32.1 1.0 C B:GLY152 4.8 39.1 1.0 N B:CYS154 4.8 36.6 1.0 CB B:LEU153 4.9 34.7 1.0 CA B:ASN150 4.9 30.4 1.0 N B:ILE149 5.0 31.6 1.0 CA B:LEU153 5.0 33.9 1.0

Iron binding site 7 out of 18 in the E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe246 b:30.8 occ:1.00 FE2 B:SF4246 0.0 30.8 1.0 S3 B:SF4246 2.1 32.3 1.0 S4 B:SF4246 2.2 32.0 1.0 S1 B:SF4246 2.3 32.2 1.0 SG B:CYS148 2.3 26.4 1.0 FE3 B:SF4246 2.6 31.7 1.0 FE1 B:SF4246 2.6 34.4 1.0 FE4 B:SF4246 2.7 32.4 1.0 CB B:CYS148 3.5 29.6 1.0 S2 B:SF4246 3.6 32.6 1.0 CA B:CYS148 3.8 31.2 1.0 N B:ILE149 4.0 31.6 1.0 N B:ASN150 4.0 29.4 1.0 C B:CYS148 4.3 32.9 1.0 CB B:ALA171 4.4 20.9 1.0 CA B:ASN150 4.5 30.4 1.0 SG B:CYS154 4.5 32.6 1.0 SG B:CYS214 4.6 32.1 1.0 N B:CYS151 4.6 31.6 1.0 SG B:CYS151 4.8 22.3 1.0 C B:ILE149 4.9 29.0 1.0

Iron binding site 8 out of 18 in the E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe246 b:31.7 occ:1.00 FE3 B:SF4246 0.0 31.7 1.0 S2 B:SF4246 2.0 32.6 1.0 S1 B:SF4246 2.1 32.2 1.0 SG B:CYS154 2.2 32.6 1.0 S4 B:SF4246 2.3 32.0 1.0 FE4 B:SF4246 2.5 32.4 1.0 FE2 B:SF4246 2.6 30.8 1.0 FE1 B:SF4246 2.7 34.4 1.0 CB B:CYS154 3.2 35.1 1.0 S3 B:SF4246 3.6 32.3 1.0 N B:CYS154 3.8 36.6 1.0 CA B:CYS154 4.2 37.3 1.0 CB B:ALA171 4.3 20.9 1.0 SG B:CYS148 4.6 26.4 1.0 SG B:CYS151 4.6 22.3 1.0 N B:LEU153 4.6 37.4 1.0 SG B:CYS214 4.6 32.1 1.0 N B:GLY152 4.8 35.1 1.0 CA B:ALA171 4.8 25.3 1.0 N B:ALA171 4.9 25.7 1.0 C B:LEU153 5.0 37.2 1.0

Iron binding site 9 out of 18 in the E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe246 b:32.4 occ:1.00 FE4 B:SF4246 0.0 32.4 1.0 S1 B:SF4246 2.0 32.2 1.0 SG B:CYS214 2.2 32.1 1.0 S2 B:SF4246 2.2 32.6 1.0 S3 B:SF4246 2.4 32.3 1.0 FE3 B:SF4246 2.5 31.7 1.0 FE2 B:SF4246 2.7 30.8 1.0 FE1 B:SF4246 2.8 34.4 1.0 CB B:CYS214 3.3 25.1 1.0 CA B:CYS214 3.7 29.7 1.0 S4 B:SF4246 3.7 32.0 1.0 CD B:PRO215 4.3 29.9 1.0 CB B:VAL218 4.5 30.7 1.0 C B:CYS214 4.5 33.2 1.0 SG B:CYS154 4.6 32.6 1.0 CG2 B:VAL218 4.6 30.6 1.0 N B:PRO215 4.7 33.6 1.0 SG B:CYS151 4.8 22.3 1.0 N B:CYS214 4.8 29.9 1.0 SG B:CYS148 4.8 26.4 1.0 CD B:PRO220 4.9 33.2 1.0 CB B:CYS154 4.9 35.1 1.0

Iron binding site 10 out of 18 in the E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of E. Coli Quinol-Fumarate Reductase with Bound Inhibitor Hqno within 5.0Å range: probe atom residue distance (Å) B Occ N:Fe244 b:40.7 occ:1.00 FE1 N:FES244 0.0 40.7 1.0 S2 N:FES244 2.2 35.6 1.0 S1 N:FES244 2.2 34.5 1.0 SG N:CYS65 2.3 44.6 1.0 SG N:CYS77 2.4 48.0 1.0 FE2 N:FES244 2.6 42.9 1.0 CB N:CYS77 3.3 49.3 1.0 CB N:CYS65 3.4 49.7 1.0 N N:CYS65 4.0 49.6 1.0 SG N:CYS57 4.3 54.8 1.0 CA N:CYS65 4.3 48.5 1.0 N N:CYS77 4.3 51.1 1.0 N N:ALA60 4.4 48.0 1.0 CA N:CYS77 4.4 51.9 1.0 CB N:LEU75 4.5 42.8 1.0 CA N:ALA60 4.5 47.3 1.0 SG N:CYS62 4.6 48.0 1.0 N N:ARG58 4.7 50.0 1.0 N N:SER64 4.8 57.6 1.0

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