Iron in PDB 4kx6: Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase

All present enzymatic activity of Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase:
1.3.99.1;

The structure of Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase, PDB code: 4kx6 was solved by P.K.Singh, M.Sarwar, E.Maklashina, V.Kotlyar, S.Rajagukguk, T.M.Tomasiak, G.Cecchini, T.M.Iverson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.80 / 2.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	97.093, 138.620, 273.263, 90.00, 90.00, 90.00
R / Rfree (%)	24 / 28

Pages:

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

Binding sites:

The binding sites of Iron atom in the Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase (pdb code 4kx6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 18 binding sites of Iron where determined in the Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase, PDB code: 4kx6:
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 Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:20.4 occ:1.00 FE1 B:FES301 0.0 20.4 1.0 SG B:CYS65 2.2 39.7 1.0 S1 B:FES301 2.2 20.8 1.0 S2 B:FES301 2.2 20.0 1.0 SG B:CYS77 2.4 40.8 1.0 CB B:CYS65 2.9 38.5 1.0 FE2 B:FES301 3.0 20.9 1.0 CB B:CYS77 3.3 41.2 1.0 CA B:CYS65 3.9 38.3 1.0 N B:CYS65 4.0 37.2 1.0 SG B:CYS57 4.2 29.8 1.0 N B:CYS77 4.2 41.3 1.0 N B:ALA60 4.3 32.9 1.0 CA B:ALA60 4.4 33.1 1.0 CA B:CYS77 4.4 42.0 1.0 CB B:LEU75 4.6 37.3 1.0 N B:ARG58 4.7 30.1 1.0 SG B:CYS62 4.8 34.6 1.0 CD1 B:LEU75 4.9 36.7 1.0 CD2 B:LEU75 5.0 36.5 1.0

Iron binding site 2 out of 18 in the Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:20.9 occ:1.00 FE2 B:FES301 0.0 20.9 1.0 S1 B:FES301 2.2 20.8 1.0 S2 B:FES301 2.2 20.0 1.0 SG B:CYS57 2.3 29.8 1.0 SG B:CYS62 2.3 34.6 1.0 FE1 B:FES301 3.0 20.4 1.0 CB B:CYS57 3.0 29.4 1.0 N B:CYS57 3.2 29.6 1.0 CB B:CYS62 3.3 33.9 1.0 N B:CYS62 3.6 33.6 1.0 CA B:CYS57 3.6 29.5 1.0 N B:GLY63 3.8 34.5 1.0 N B:ARG58 3.8 30.1 1.0 CA B:CYS62 3.9 33.8 1.0 OG B:SER64 4.0 36.5 1.0 C B:CYS57 4.2 29.7 1.0 C B:CYS62 4.2 34.0 1.0 N B:SER56 4.3 29.9 1.0 C B:SER56 4.4 29.6 1.0 N B:ILE61 4.4 33.1 1.0 N B:SER64 4.4 36.0 1.0 N B:ALA60 4.5 32.9 1.0 SG B:CYS77 4.7 40.8 1.0 CA B:ALA60 4.8 33.1 1.0 N B:MET59 4.8 31.3 1.0 C B:ILE61 4.8 33.2 1.0 CA B:SER56 4.8 29.7 1.0 CA B:GLY63 4.8 35.0 1.0 N B:CYS65 4.9 37.2 1.0 CA B:ARG58 4.9 30.6 1.0 SG B:CYS65 5.0 39.7 1.0

Iron binding site 3 out of 18 in the Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:29.3 occ:1.00 FE1 B:F3S302 0.0 29.3 1.0 S3 B:F3S302 2.2 27.6 1.0 S2 B:F3S302 2.2 30.2 1.0 S1 B:F3S302 2.2 29.0 1.0 SG B:CYS204 2.2 44.9 1.0 FE3 B:F3S302 2.9 28.3 1.0 FE4 B:F3S302 3.0 28.9 1.0 CB B:CYS204 3.4 44.7 1.0 N B:PHE206 3.6 47.3 1.0 CA B:PHE206 3.8 48.2 1.0 CA B:CYS204 3.9 44.7 1.0 N B:VAL207 4.0 46.9 1.0 S4 B:F3S302 4.1 29.4 1.0 N B:THR205 4.1 45.7 1.0 CD1 B:ILE224 4.1 44.0 1.0 C B:CYS204 4.3 45.2 1.0 C B:PHE206 4.4 47.7 1.0 C B:THR205 4.7 47.2 1.0 N B:GLY208 4.7 45.0 1.0 SG B:CYS158 4.8 41.2 1.0 SG B:CYS210 4.8 41.2 1.0

Iron binding site 4 out of 18 in the Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:28.3 occ:1.00 FE3 B:F3S302 0.0 28.3 1.0 S3 B:F3S302 2.2 27.6 1.0 S1 B:F3S302 2.2 29.0 1.0 S4 B:F3S302 2.2 29.4 1.0 SG B:CYS210 2.2 41.2 1.0 FE1 B:F3S302 2.9 29.3 1.0 FE4 B:F3S302 2.9 28.9 1.0 CB B:CYS210 3.4 41.2 1.0 N B:GLY208 3.7 45.0 1.0 N B:CYS210 3.8 42.0 1.0 CA B:GLY208 4.0 44.4 1.0 S2 B:F3S302 4.1 30.2 1.0 CA B:CYS210 4.2 41.3 1.0 N B:TYR209 4.3 44.5 1.0 C B:GLY208 4.3 44.4 1.0 CB B:ALA221 4.6 42.0 1.0 CD1 B:ILE224 4.7 44.0 1.0 N B:VAL207 4.8 46.9 1.0 CA B:ALA221 4.9 42.0 1.0 SG B:CYS158 4.9 41.2 1.0 C B:VAL207 4.9 45.8 1.0 SG B:CYS204 4.9 44.9 1.0 C B:TYR209 5.0 43.1 1.0

Iron binding site 5 out of 18 in the Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:28.9 occ:1.00 FE4 B:F3S302 0.0 28.9 1.0 S3 B:F3S302 2.2 27.6 1.0 S4 B:F3S302 2.2 29.4 1.0 S2 B:F3S302 2.2 30.2 1.0 SG B:CYS158 2.2 41.2 1.0 FE3 B:F3S302 2.9 28.3 1.0 FE1 B:F3S302 3.0 29.3 1.0 CB B:CYS158 3.1 41.3 1.0 CA B:CYS158 3.6 41.4 1.0 S1 B:F3S302 4.1 29.0 1.0 CD B:PRO159 4.3 43.0 1.0 C B:CYS158 4.5 42.0 1.0 CB B:VAL207 4.5 45.9 1.0 CG B:GLN160 4.5 43.6 1.0 CG2 B:VAL207 4.6 45.9 1.0 CB B:GLN160 4.6 43.1 1.0 N B:PRO159 4.6 42.9 1.0 N B:GLN160 4.8 43.5 1.0 N B:CYS158 4.8 41.1 1.0 SG B:CYS210 4.8 41.2 1.0 CE2 B:PHE167 4.8 46.9 1.0 N B:VAL207 4.9 46.9 1.0

Iron binding site 6 out of 18 in the Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe303 b:24.9 occ:1.00 FE1 B:SF4303 0.0 24.9 1.0 S4 B:SF4303 2.1 23.3 1.0 S3 B:SF4303 2.1 24.4 1.0 S2 B:SF4303 2.1 24.4 1.0 SG B:CYS151 2.3 35.8 1.0 FE2 B:SF4303 3.1 25.3 1.0 FE3 B:SF4303 3.1 24.6 1.0 FE4 B:SF4303 3.1 24.9 1.0 N B:CYS151 3.4 35.4 1.0 CB B:CYS151 3.5 35.4 1.0 S1 B:SF4303 3.7 24.0 1.0 N B:GLY152 3.7 36.2 1.0 CA B:CYS151 3.8 35.5 1.0 C B:CYS151 4.2 36.1 1.0 N B:LEU153 4.2 37.4 1.0 CG1 B:ILE149 4.3 37.2 1.0 CD B:PRO215 4.4 38.2 1.0 N B:ASN150 4.4 35.3 1.0 C B:ASN150 4.4 35.3 1.0 CA B:ASN150 4.7 35.0 1.0 CA B:GLY152 4.7 36.8 1.0 CG B:PRO215 4.8 38.0 1.0 CB B:LEU153 4.8 37.8 1.0 N B:ILE149 4.9 36.6 1.0 SG B:CYS154 4.9 35.1 1.0 SG B:CYS148 4.9 37.8 1.0 N B:CYS154 4.9 37.8 1.0 C B:ILE149 5.0 36.0 1.0 C B:GLY152 5.0 37.4 1.0

Iron binding site 7 out of 18 in the Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe303 b:25.3 occ:1.00 FE2 B:SF4303 0.0 25.3 1.0 S1 B:SF4303 2.1 24.0 1.0 S3 B:SF4303 2.1 24.4 1.0 S4 B:SF4303 2.1 23.3 1.0 SG B:CYS154 2.2 35.1 1.0 CB B:CYS154 3.0 36.4 1.0 FE4 B:SF4303 3.0 24.9 1.0 FE1 B:SF4303 3.1 24.9 1.0 FE3 B:SF4303 3.1 24.6 1.0 S2 B:SF4303 3.6 24.4 1.0 N B:CYS154 3.8 37.8 1.0 CA B:CYS154 4.0 37.4 1.0 CB B:ALA171 4.0 41.6 1.0 CA B:ALA171 4.7 41.4 1.0 N B:LEU153 4.7 37.4 1.0 N B:ALA171 4.8 41.2 1.0 N B:GLY152 4.8 36.2 1.0 SG B:CYS151 4.9 35.8 1.0 SG B:CYS148 4.9 37.8 1.0 C B:LEU153 5.0 38.5 1.0 CG B:PRO220 5.0 40.5 1.0 CA B:GLY152 5.0 36.8 1.0

Iron binding site 8 out of 18 in the Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe303 b:24.6 occ:1.00 FE3 B:SF4303 0.0 24.6 1.0 S1 B:SF4303 2.1 24.0 1.0 S4 B:SF4303 2.1 23.3 1.0 S2 B:SF4303 2.1 24.4 1.0 SG B:CYS148 2.3 37.8 1.0 CB B:CYS148 3.0 37.6 1.0 FE4 B:SF4303 3.1 24.9 1.0 FE1 B:SF4303 3.1 24.9 1.0 FE2 B:SF4303 3.1 25.3 1.0 CA B:CYS148 3.4 37.2 1.0 S3 B:SF4303 3.7 24.4 1.0 N B:ILE149 3.8 36.6 1.0 N B:ASN150 3.9 35.3 1.0 C B:CYS148 3.9 36.8 1.0 CB B:ALA171 4.1 41.6 1.0 CA B:ASN150 4.5 35.0 1.0 N B:CYS148 4.7 37.5 1.0 CG2 B:VAL218 4.8 40.1 1.0 N B:CYS151 4.8 35.4 1.0 C B:ILE149 4.8 36.0 1.0 CA B:ILE149 4.9 36.4 1.0 O B:CYS148 4.9 37.0 1.0 CA B:ALA171 4.9 41.4 1.0 OD1 B:ASN150 4.9 34.2 1.0

Iron binding site 9 out of 18 in the Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe303 b:24.9 occ:1.00 FE4 B:SF4303 0.0 24.9 1.0 S1 B:SF4303 2.1 24.0 1.0 S3 B:SF4303 2.1 24.4 1.0 S2 B:SF4303 2.1 24.4 1.0 SG B:CYS214 2.3 36.8 1.0 FE2 B:SF4303 3.0 25.3 1.0 FE3 B:SF4303 3.1 24.6 1.0 FE1 B:SF4303 3.1 24.9 1.0 CB B:CYS214 3.2 37.6 1.0 S4 B:SF4303 3.7 23.3 1.0 CA B:CYS214 3.8 38.0 1.0 CG2 B:VAL218 4.1 40.1 1.0 CB B:VAL218 4.3 40.1 1.0 CD B:PRO215 4.3 38.2 1.0 C B:CYS214 4.5 38.1 1.0 N B:PRO215 4.7 38.2 1.0 CD B:PRO220 4.9 40.5 1.0 SG B:CYS151 5.0 35.8 1.0

Iron binding site 10 out of 18 in the Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase within 5.0Å range: probe atom residue distance (Å) B Occ N:Fe301 b:44.2 occ:1.00 FE1 N:FES301 0.0 44.2 1.0 S2 N:FES301 2.2 40.9 1.0 S1 N:FES301 2.2 40.2 1.0 SG N:CYS77 2.3 78.9 1.0 SG N:CYS65 2.6 81.8 1.0 FE2 N:FES301 3.0 41.8 1.0 CB N:CYS77 3.1 80.7 1.0 CB N:CYS65 3.6 82.3 1.0 N N:CYS65 4.2 80.1 1.0 SG N:CYS57 4.2 88.7 1.0 N N:CYS77 4.2 82.3 1.0 CA N:CYS77 4.2 82.2 1.0 N N:ALA60 4.3 78.4 1.0 CA N:ALA60 4.4 77.3 1.0 CA N:CYS65 4.5 81.4 1.0 CD2 N:LEU75 4.5 80.5 1.0 CB N:LEU75 4.6 80.4 1.0 CD2 N:LEU37 4.7 96.6 1.0 N N:ARG58 4.9 81.4 1.0 N N:SER64 4.9 81.9 1.0 CG N:LEU75 4.9 80.3 1.0 CD1 N:LEU75 4.9 80.6 1.0 SG N:CYS62 5.0 81.1 1.0

P.K.Singh, M.Sarwar, E.Maklashina, V.Kotlyar, S.Rajagukguk, T.M.Tomasiak, G.Cecchini, T.M.Iverson. Plasticity of the Quinone-Binding Site of the Complex II Homolog Quinol:Fumarate Reductase. J.Biol.Chem. V. 288 24293 2013.
ISSN: ISSN 0021-9258
PubMed: 23836905
DOI: 10.1074/JBC.M113.487082