Iron in PDB 3cir: E. Coli Quinol Fumarate Reductase Frda T234A Mutation

All present enzymatic activity of E. Coli Quinol Fumarate Reductase Frda T234A Mutation:
1.3.99.1;

The structure of E. Coli Quinol Fumarate Reductase Frda T234A Mutation, PDB code: 3cir was solved by T.M.Tomasiak, E.Maklashina, G.Cecchini, T.M.Iverson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	266.00 / 3.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	96.861, 135.468, 266.024, 90.00, 90.00, 90.00
R / Rfree (%)	26.1 / 29.6

Pages:

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

Binding sites:

The binding sites of Iron atom in the E. Coli Quinol Fumarate Reductase Frda T234A Mutation (pdb code 3cir). 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 Frda T234A Mutation, PDB code: 3cir:
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 Frda T234A Mutation


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 Frda T234A Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe244 b:0.9 occ:1.00 FE1 B:FES244 0.0 0.9 1.0 SG B:CYS77 2.2 41.6 1.0 SG B:CYS65 2.2 84.5 1.0 S2 B:FES244 2.2 0.9 1.0 S1 B:FES244 2.3 0.9 1.0 FE2 B:FES244 2.6 0.9 1.0 CB B:CYS65 2.7 89.9 1.0 CB B:CYS77 3.6 42.9 1.0 CA B:CYS65 3.8 53.9 1.0 N B:CYS65 3.9 56.7 1.0 SG B:CYS57 4.1 0.5 1.0 N B:ALA60 4.2 67.9 1.0 SG B:CYS62 4.2 40.8 1.0 CA B:ALA60 4.2 67.9 1.0 CB B:LEU75 4.4 28.9 1.0 N B:CYS77 4.4 74.4 1.0 CA B:CYS77 4.6 74.0 1.0 N B:SER64 4.8 62.1 1.0 CD2 B:LEU75 4.9 28.2 1.0 N B:GLY63 5.0 0.3 1.0 CD1 B:LEU75 5.0 28.3 1.0

Iron binding site 2 out of 18 in the E. Coli Quinol Fumarate Reductase Frda T234A Mutation


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 Frda T234A Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe244 b:0.9 occ:1.00 FE2 B:FES244 0.0 0.9 1.0 S1 B:FES244 2.2 0.9 1.0 SG B:CYS62 2.2 40.8 1.0 SG B:CYS57 2.2 0.5 1.0 S2 B:FES244 2.3 0.9 1.0 FE1 B:FES244 2.6 0.9 1.0 CB B:CYS57 3.1 0.5 1.0 N B:ARG58 3.2 66.9 1.0 N B:CYS57 3.3 81.9 1.0 CB B:CYS62 3.5 40.8 1.0 CA B:CYS57 3.6 81.9 1.0 C B:CYS57 3.9 81.9 1.0 SG B:CYS77 3.9 41.6 1.0 N B:MET59 4.1 59.1 1.0 N B:ALA60 4.1 67.9 1.0 N B:CYS62 4.1 79.4 1.0 CA B:ARG58 4.2 66.9 1.0 N B:SER56 4.2 70.2 1.0 C B:SER56 4.2 70.2 1.0 OG B:SER64 4.2 0.3 1.0 SG B:CYS65 4.2 84.5 1.0 CA B:CYS62 4.3 79.4 1.0 N B:GLY63 4.4 0.3 1.0 N B:ILE61 4.6 52.1 1.0 CA B:ALA60 4.6 67.9 1.0 C B:ARG58 4.6 66.9 1.0 C B:CYS62 4.7 79.4 1.0 CA B:SER56 4.7 70.2 1.0 N B:SER64 4.7 62.1 1.0 CB B:CYS77 4.9 42.9 1.0 CB B:CYS65 4.9 89.9 1.0 N B:CYS65 5.0 56.7 1.0 C B:MET59 5.0 59.1 1.0

Iron binding site 3 out of 18 in the E. Coli Quinol Fumarate Reductase Frda T234A Mutation


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 Frda T234A Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe245 b:0.4 occ:1.00 FE1 B:F3S245 0.0 0.4 1.0 S1 B:F3S245 2.2 0.0 1.0 S3 B:F3S245 2.2 0.5 1.0 S2 B:F3S245 2.2 0.4 1.0 SG B:CYS204 2.3 94.9 1.0 FE4 B:F3S245 2.6 0.4 1.0 FE3 B:F3S245 2.7 1.0 1.0 CB B:CYS204 3.5 81.3 1.0 SG B:CYS158 3.6 54.4 1.0 CD1 B:ILE224 3.8 15.3 1.0 S4 B:F3S245 3.8 0.9 1.0 CA B:CYS204 4.2 76.3 1.0 N B:PHE206 4.4 61.7 1.0 CA B:PHE206 4.6 62.7 1.0 SG B:CYS210 4.6 84.8 1.0 N B:THR205 4.7 82.3 1.0 CB B:CYS158 4.8 55.6 1.0 N B:VAL207 4.8 74.8 1.0 C B:CYS204 4.9 81.0 1.0 CG2 B:ILE224 4.9 17.4 1.0

Iron binding site 4 out of 18 in the E. Coli Quinol Fumarate Reductase Frda T234A Mutation


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 Frda T234A Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe245 b:1.0 occ:1.00 FE3 B:F3S245 0.0 1.0 1.0 S4 B:F3S245 2.2 0.9 1.0 S1 B:F3S245 2.2 0.0 1.0 S3 B:F3S245 2.2 0.5 1.0 SG B:CYS158 2.3 54.4 1.0 FE4 B:F3S245 2.6 0.4 1.0 FE1 B:F3S245 2.7 0.4 1.0 CB B:CYS158 2.9 55.6 1.0 CA B:CYS158 3.4 39.1 1.0 S2 B:F3S245 3.8 0.4 1.0 CD B:PRO159 4.3 80.3 1.0 C B:CYS158 4.4 40.5 1.0 SG B:CYS210 4.4 84.8 1.0 N B:CYS158 4.4 37.0 1.0 CB B:VAL207 4.6 26.7 1.0 N B:PRO159 4.6 43.6 1.0 SG B:CYS204 4.7 94.9 1.0 N B:VAL207 4.8 74.8 1.0 N B:CYS210 4.8 61.2 1.0 CB B:CYS210 4.9 84.8 1.0 CG B:GLN160 4.9 85.0 1.0 CG2 B:VAL207 5.0 26.7 1.0

Iron binding site 5 out of 18 in the E. Coli Quinol Fumarate Reductase Frda T234A Mutation


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 Frda T234A Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe245 b:0.4 occ:1.00 FE4 B:F3S245 0.0 0.4 1.0 S3 B:F3S245 2.2 0.5 1.0 S4 B:F3S245 2.2 0.9 1.0 S2 B:F3S245 2.2 0.4 1.0 SG B:CYS210 2.3 84.8 1.0 FE1 B:F3S245 2.6 0.4 1.0 FE3 B:F3S245 2.6 1.0 1.0 CB B:CYS210 3.6 84.8 1.0 S1 B:F3S245 3.7 0.0 1.0 N B:CYS210 3.9 61.2 1.0 CD1 B:ILE224 4.2 15.3 1.0 CA B:CYS210 4.3 61.2 1.0 N B:TYR209 4.4 65.5 1.0 N B:GLY208 4.4 0.7 1.0 SG B:CYS204 4.5 94.9 1.0 SG B:CYS158 4.5 54.4 1.0 CB B:ALA221 4.5 0.7 1.0 CA B:ALA221 4.5 39.3 1.0 CA B:GLY208 4.7 0.8 1.0 CB B:CYS158 4.8 55.6 1.0 N B:ALA221 4.9 40.7 1.0 N B:SER211 4.9 63.0 1.0 C B:TYR209 5.0 65.5 1.0

Iron binding site 6 out of 18 in the E. Coli Quinol Fumarate Reductase Frda T234A Mutation


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 Frda T234A Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe246 b:0.5 occ:1.00 FE1 B:SF4246 0.0 0.5 1.0 S4 B:SF4246 2.2 0.1 1.0 S3 B:SF4246 2.2 0.0 1.0 S2 B:SF4246 2.2 0.8 1.0 SG B:CYS151 2.3 59.8 1.0 FE2 B:SF4246 2.5 0.4 1.0 FE3 B:SF4246 2.6 0.8 1.0 FE4 B:SF4246 2.6 0.8 1.0 CB B:CYS151 3.7 59.8 1.0 S1 B:SF4246 3.8 0.0 1.0 N B:CYS151 3.9 60.0 1.0 CD B:PRO215 4.2 60.9 1.0 SG B:CYS214 4.2 75.4 1.0 CA B:CYS151 4.3 60.0 1.0 CG1 B:ILE149 4.4 70.5 1.0 SG B:CYS148 4.5 80.7 1.0 CG B:PRO215 4.6 60.9 1.0 N B:GLY152 4.6 57.0 1.0 SG B:CYS154 4.7 0.5 1.0 N B:ASN150 4.7 48.3 1.0 N B:ILE149 4.8 99.9 1.0 C B:CYS151 4.8 60.0 1.0 CD1 B:LEU153 4.8 38.2 1.0 C B:ASN150 5.0 48.3 1.0 N B:LEU153 5.0 38.3 1.0

Iron binding site 7 out of 18 in the E. Coli Quinol Fumarate Reductase Frda T234A Mutation


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 Frda T234A Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe246 b:0.4 occ:1.00 FE2 B:SF4246 0.0 0.4 1.0 S4 B:SF4246 2.2 0.1 1.0 S1 B:SF4246 2.2 0.0 1.0 SG B:CYS154 2.3 0.5 1.0 S3 B:SF4246 2.3 0.0 1.0 FE3 B:SF4246 2.5 0.8 1.0 FE1 B:SF4246 2.5 0.5 1.0 FE4 B:SF4246 2.6 0.8 1.0 CB B:CYS154 3.1 0.4 1.0 N B:CYS154 3.4 64.5 1.0 S2 B:SF4246 3.7 0.8 1.0 CA B:CYS154 3.9 64.8 1.0 SG B:CYS151 4.1 59.8 1.0 SG B:CYS214 4.5 75.4 1.0 C B:LEU153 4.5 38.5 1.0 CB B:ALA171 4.6 0.1 1.0 N B:LEU153 4.7 38.3 1.0 SG B:CYS148 4.8 80.7 1.0 CA B:LEU153 4.9 35.1 1.0 N B:GLY152 5.0 57.0 1.0

Iron binding site 8 out of 18 in the E. Coli Quinol Fumarate Reductase Frda T234A Mutation


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 Frda T234A Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe246 b:0.8 occ:1.00 FE3 B:SF4246 0.0 0.8 1.0 S2 B:SF4246 2.2 0.8 1.0 S1 B:SF4246 2.2 0.0 1.0 S4 B:SF4246 2.3 0.1 1.0 SG B:CYS148 2.3 80.7 1.0 FE2 B:SF4246 2.5 0.4 1.0 FE4 B:SF4246 2.6 0.8 1.0 FE1 B:SF4246 2.6 0.5 1.0 S3 B:SF4246 3.7 0.0 1.0 SG B:CYS154 3.9 0.5 1.0 CB B:ALA171 4.0 0.1 1.0 CB B:CYS148 4.0 80.7 1.0 N B:ASN150 4.4 48.3 1.0 CA B:CYS148 4.4 13.8 1.0 N B:ILE149 4.6 99.9 1.0 SG B:CYS151 4.6 59.8 1.0 N B:CYS151 4.7 60.0 1.0 CA B:ASN150 4.7 48.3 1.0 SG B:CYS214 4.8 75.4 1.0 CA B:ALA171 4.9 17.0 1.0 C B:CYS148 4.9 13.8 1.0

Iron binding site 9 out of 18 in the E. Coli Quinol Fumarate Reductase Frda T234A Mutation


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 Frda T234A Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe246 b:0.8 occ:1.00 FE4 B:SF4246 0.0 0.8 1.0 S3 B:SF4246 2.2 0.0 1.0 S2 B:SF4246 2.2 0.8 1.0 S1 B:SF4246 2.2 0.0 1.0 SG B:CYS214 2.3 75.4 1.0 FE3 B:SF4246 2.6 0.8 1.0 FE2 B:SF4246 2.6 0.4 1.0 FE1 B:SF4246 2.6 0.5 1.0 CB B:CYS214 3.6 75.4 1.0 S4 B:SF4246 3.8 0.1 1.0 CG2 B:VAL218 3.9 77.0 1.0 SG B:CYS148 4.2 80.7 1.0 CB B:VAL218 4.2 77.0 1.0 CA B:CYS214 4.2 84.8 1.0 SG B:CYS154 4.6 0.5 1.0 SG B:CYS151 4.7 59.8 1.0 CD B:PRO215 4.7 60.9 1.0

Iron binding site 10 out of 18 in the E. Coli Quinol Fumarate Reductase Frda T234A Mutation


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 Frda T234A Mutation within 5.0Å range: probe atom residue distance (Å) B Occ N:Fe244 b:0.7 occ:1.00 FE1 N:FES244 0.0 0.7 1.0 S2 N:FES244 2.2 0.7 1.0 SG N:CYS77 2.2 0.2 1.0 SG N:CYS65 2.2 0.0 1.0 S1 N:FES244 2.3 0.1 1.0 FE2 N:FES244 2.8 1.0 1.0 CB N:CYS65 3.2 0.0 1.0 CB N:CYS77 3.5 0.5 1.0 SG N:CYS57 4.0 0.5 1.0 N N:ALA60 4.1 0.5 1.0 N N:CYS65 4.1 0.1 1.0 CA N:CYS65 4.2 0.1 1.0 CA N:ALA60 4.2 0.5 1.0 N N:CYS77 4.3 0.9 1.0 CA N:CYS77 4.5 0.7 1.0 SG N:CYS62 4.5 0.7 1.0 CB N:LEU75 4.7 0.8 1.0 N N:ARG58 4.7 0.3 1.0 CD1 N:LEU75 4.9 0.2 1.0 CD2 N:LEU75 4.9 0.4 1.0 N N:GLY63 4.9 0.4 1.0 N N:SER64 4.9 0.6 1.0 CA N:ARG58 5.0 0.3 1.0

T.M.Tomasiak, E.Maklashina, G.Cecchini, T.M.Iverson. A Threonine on the Active Site Loop Controls Transition State Formation in Escherichia Coli Respiratory Complex II. J.Biol.Chem. V. 283 15460 2008.
ISSN: ISSN 0021-9258
PubMed: 18385138
DOI: 10.1074/JBC.M801372200