Iron in PDB 5vpn: E. Coli Quinol Fumarate Reductase Frda E245Q Mutation

All present enzymatic activity of E. Coli Quinol Fumarate Reductase Frda E245Q Mutation:
1.3.5.1; 1.3.5.4;

The structure of E. Coli Quinol Fumarate Reductase Frda E245Q Mutation, PDB code: 5vpn was solved by C.A.Starbird, E.Maklashina, P.Sharma, S.Qualls-Histed, G.Cecchini, T.M.Iverson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.96 / 4.22
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	133.565, 138.134, 220.079, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 27

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 E245Q Mutation (pdb code 5vpn). 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 E245Q Mutation, PDB code: 5vpn:
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 E245Q 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 E245Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:1.0 occ:1.00 FE1 B:FES301 0.0 1.0 1.0 S1 B:FES301 2.2 0.8 1.0 S2 B:FES301 2.2 0.2 1.0 SG B:CYS77 2.9 0.7 1.0 CB B:CYS65 3.0 0.1 1.0 FE2 B:FES301 3.1 0.7 1.0 SG B:CYS65 3.1 0.3 1.0 CB B:CYS77 3.5 0.8 1.0 N B:ALA60 4.0 0.6 1.0 CA B:ALA60 4.0 0.1 1.0 CA B:CYS65 4.3 0.3 1.0 N B:CYS77 4.4 0.6 1.0 N B:CYS65 4.4 0.1 1.0 CB B:LEU75 4.5 0.9 1.0 SG B:CYS57 4.5 0.1 1.0 CA B:CYS77 4.5 0.5 1.0 CD1 B:LEU75 4.6 98.3 1.0 CB B:ALA60 4.7 0.5 1.0 CG B:LEU75 4.9 0.8 1.0 CD2 B:LEU75 4.9 0.3 1.0 N B:MET59 5.0 0.5 1.0

Iron binding site 2 out of 18 in the E. Coli Quinol Fumarate Reductase Frda E245Q 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 E245Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe301 b:0.7 occ:1.00 FE2 B:FES301 0.0 0.7 1.0 S1 B:FES301 2.2 0.8 1.0 S2 B:FES301 2.2 0.2 1.0 SG B:CYS57 2.8 0.1 1.0 SG B:CYS62 2.9 0.5 1.0 FE1 B:FES301 3.1 1.0 1.0 CB B:CYS62 3.2 0.8 1.0 N B:CYS57 3.2 0.3 1.0 CB B:CYS57 3.5 0.4 1.0 N B:GLY63 3.8 0.0 1.0 CA B:CYS57 3.9 0.8 1.0 N B:CYS62 3.9 0.3 1.0 N B:SER56 3.9 0.2 1.0 CA B:CYS62 4.0 0.2 1.0 N B:ARG58 4.0 0.8 1.0 C B:SER56 4.2 0.5 1.0 OG B:SER64 4.2 0.9 1.0 CA B:SER56 4.4 0.4 1.0 C B:CYS57 4.4 0.8 1.0 C B:CYS62 4.4 0.6 1.0 N B:SER64 4.4 0.2 1.0 CB B:SER56 4.5 0.1 1.0 N B:ILE61 4.7 0.6 1.0 N B:ALA60 4.7 0.6 1.0 CA B:GLY63 4.8 0.8 1.0 C B:TRP55 4.8 0.5 1.0 N B:CYS65 5.0 0.1 1.0 CB B:CYS65 5.0 0.1 1.0

Iron binding site 3 out of 18 in the E. Coli Quinol Fumarate Reductase Frda E245Q 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 E245Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:0.0 occ:1.00 FE1 B:F3S302 0.0 0.0 1.0 S1 B:F3S302 2.2 0.0 1.0 S2 B:F3S302 2.3 0.7 1.0 S3 B:F3S302 2.3 0.7 1.0 FE3 B:F3S302 2.7 0.3 1.0 FE4 B:F3S302 2.7 0.5 1.0 SG B:CYS204 2.9 0.6 1.0 CB B:CYS204 3.0 0.8 1.0 CD1 B:ILE224 3.5 0.0 1.0 CA B:CYS204 3.8 1.0 1.0 S4 B:F3S302 4.0 0.9 1.0 N B:PHE206 4.3 0.7 1.0 CA B:PHE206 4.5 0.4 1.0 N B:VAL207 4.5 0.5 1.0 C B:CYS204 4.6 0.3 1.0 N B:THR205 4.6 0.6 1.0 CG2 B:ILE224 4.8 0.7 1.0 CG1 B:ILE224 4.9 0.2 1.0 SG B:CYS158 5.0 0.3 1.0 CZ B:PHE167 5.0 0.1 1.0

Iron binding site 4 out of 18 in the E. Coli Quinol Fumarate Reductase Frda E245Q 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 E245Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:0.3 occ:1.00 FE3 B:F3S302 0.0 0.3 1.0 S1 B:F3S302 2.2 0.0 1.0 S4 B:F3S302 2.3 0.9 1.0 S3 B:F3S302 2.3 0.7 1.0 FE1 B:F3S302 2.7 0.0 1.0 FE4 B:F3S302 2.7 0.5 1.0 SG B:CYS210 2.9 0.8 1.0 CB B:CYS210 3.6 0.4 1.0 S2 B:F3S302 3.9 0.7 1.0 N B:GLY208 4.0 0.3 1.0 N B:CYS210 4.2 0.8 1.0 CD1 B:ILE224 4.2 0.0 1.0 CA B:GLY208 4.4 0.8 1.0 CB B:ALA221 4.4 1.0 1.0 CA B:CYS210 4.5 0.5 1.0 N B:TYR209 4.6 0.9 1.0 C B:GLY208 4.8 0.7 1.0 N B:VAL207 4.8 0.5 1.0 CA B:ALA221 4.8 0.5 1.0 CB B:CYS158 4.9 0.0 1.0 CB B:PRO170 4.9 0.5 1.0

Iron binding site 5 out of 18 in the E. Coli Quinol Fumarate Reductase Frda E245Q 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 E245Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe302 b:0.5 occ:1.00 FE4 B:F3S302 0.0 0.5 1.0 S2 B:F3S302 2.3 0.7 1.0 S4 B:F3S302 2.3 0.9 1.0 S3 B:F3S302 2.3 0.7 1.0 FE3 B:F3S302 2.7 0.3 1.0 FE1 B:F3S302 2.7 0.0 1.0 SG B:CYS158 3.0 0.3 1.0 CB B:CYS158 3.1 0.0 1.0 CA B:CYS158 3.6 0.9 1.0 S1 B:F3S302 3.9 0.0 1.0 CD B:PRO159 4.0 0.8 1.0 CB B:VAL207 4.3 0.6 1.0 C B:CYS158 4.5 0.1 1.0 N B:PRO159 4.5 0.2 1.0 CG2 B:VAL207 4.6 1.0 1.0 N B:VAL207 4.6 0.5 1.0 N B:CYS158 4.7 0.7 1.0 N B:GLY208 4.9 0.3 1.0 CB B:GLN160 4.9 0.5 1.0 N B:GLN160 5.0 0.8 1.0 CA B:VAL207 5.0 0.9 1.0

Iron binding site 6 out of 18 in the E. Coli Quinol Fumarate Reductase Frda E245Q 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 E245Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe303 b:0.8 occ:1.00 FE1 B:SF4303 0.0 0.8 1.0 S4 B:SF4303 2.2 0.4 1.0 S3 B:SF4303 2.2 0.4 1.0 S2 B:SF4303 2.2 0.9 1.0 SG B:CYS151 2.9 0.7 1.0 N B:GLY152 3.1 0.8 1.0 FE2 B:SF4303 3.1 0.7 1.0 FE4 B:SF4303 3.1 0.5 1.0 FE3 B:SF4303 3.1 0.8 1.0 N B:CYS151 3.5 0.5 1.0 N B:LEU153 3.6 0.8 1.0 CB B:CYS151 3.7 0.2 1.0 C B:CYS151 3.8 0.2 1.0 S1 B:SF4303 3.8 0.6 1.0 CA B:CYS151 3.8 0.2 1.0 CA B:GLY152 3.9 0.6 1.0 C B:GLY152 4.2 0.7 1.0 N B:CYS154 4.4 0.5 1.0 CB B:LEU153 4.5 0.2 1.0 C B:ASN150 4.5 0.6 1.0 CA B:LEU153 4.5 0.7 1.0 SG B:CYS154 4.6 0.3 1.0 N B:ASN150 4.7 1.0 1.0 CD B:PRO215 4.8 0.4 1.0 CG1 B:ILE149 4.9 0.8 1.0 CA B:ASN150 4.9 1.0 1.0 O B:CYS151 4.9 0.6 1.0

Iron binding site 7 out of 18 in the E. Coli Quinol Fumarate Reductase Frda E245Q 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 E245Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe303 b:0.7 occ:1.00 FE2 B:SF4303 0.0 0.7 1.0 S4 B:SF4303 2.2 0.4 1.0 S1 B:SF4303 2.2 0.6 1.0 S3 B:SF4303 2.2 0.4 1.0 SG B:CYS154 2.8 0.3 1.0 FE4 B:SF4303 3.0 0.5 1.0 FE3 B:SF4303 3.1 0.8 1.0 FE1 B:SF4303 3.1 0.8 1.0 CB B:CYS154 3.5 0.6 1.0 S2 B:SF4303 3.8 0.9 1.0 CB B:ALA171 4.0 0.2 1.0 N B:CYS154 4.4 0.5 1.0 CA B:ALA171 4.5 1.0 1.0 CG B:PRO220 4.5 0.7 1.0 CA B:CYS154 4.5 0.2 1.0 N B:ALA171 4.8 0.9 1.0 CB B:PRO220 5.0 0.6 1.0

Iron binding site 8 out of 18 in the E. Coli Quinol Fumarate Reductase Frda E245Q 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 E245Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe303 b:0.8 occ:1.00 FE3 B:SF4303 0.0 0.8 1.0 S4 B:SF4303 2.2 0.4 1.0 S2 B:SF4303 2.2 0.9 1.0 S1 B:SF4303 2.2 0.6 1.0 SG B:CYS148 2.9 0.2 1.0 CB B:CYS148 3.1 0.9 1.0 FE2 B:SF4303 3.1 0.7 1.0 FE4 B:SF4303 3.1 0.5 1.0 FE1 B:SF4303 3.1 0.8 1.0 CA B:CYS148 3.2 0.1 1.0 N B:ILE149 3.4 0.6 1.0 C B:CYS148 3.6 0.8 1.0 S3 B:SF4303 3.8 0.4 1.0 N B:ASN150 3.8 1.0 1.0 CG2 B:VAL218 4.3 0.7 1.0 CA B:ILE149 4.5 0.7 1.0 CA B:ASN150 4.6 1.0 1.0 N B:CYS148 4.6 0.8 1.0 C B:ILE149 4.6 0.3 1.0 O B:CYS148 4.6 0.9 1.0 N B:CYS151 4.7 0.5 1.0 CG1 B:ILE149 4.8 0.8 1.0 CB B:ALA171 4.9 0.2 1.0

Iron binding site 9 out of 18 in the E. Coli Quinol Fumarate Reductase Frda E245Q 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 E245Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe303 b:0.5 occ:1.00 FE4 B:SF4303 0.0 0.5 1.0 S3 B:SF4303 2.2 0.4 1.0 S2 B:SF4303 2.2 0.9 1.0 S1 B:SF4303 2.2 0.6 1.0 SG B:CYS214 2.9 0.7 1.0 FE2 B:SF4303 3.0 0.7 1.0 FE3 B:SF4303 3.1 0.8 1.0 FE1 B:SF4303 3.1 0.8 1.0 CB B:CYS214 3.6 0.8 1.0 CD B:PRO215 3.6 0.4 1.0 CA B:CYS214 3.7 0.8 1.0 S4 B:SF4303 3.8 0.4 1.0 N B:PRO215 4.2 0.2 1.0 CG2 B:VAL218 4.3 0.7 1.0 C B:CYS214 4.3 0.0 1.0 CG B:PRO215 4.6 0.8 1.0 N B:LYS216 4.6 0.4 1.0 CB B:VAL218 4.7 0.7 1.0 N B:CYS214 4.9 0.6 1.0

Iron binding site 10 out of 18 in the E. Coli Quinol Fumarate Reductase Frda E245Q 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 E245Q Mutation within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe301 b:0.6 occ:1.00 FE1 F:FES301 0.0 0.6 1.0 S2 F:FES301 2.2 0.6 1.0 S1 F:FES301 2.2 0.6 1.0 SG F:CYS77 2.9 0.2 1.0 CB F:CYS65 3.0 0.1 1.0 SG F:CYS65 3.1 0.2 1.0 FE2 F:FES301 3.1 0.4 1.0 CB F:CYS77 3.3 0.9 1.0 N F:ALA60 3.8 0.8 1.0 CA F:ALA60 3.9 0.2 1.0 CA F:CYS65 4.3 0.9 1.0 N F:CYS77 4.4 0.3 1.0 CB F:LEU75 4.4 0.1 1.0 CA F:CYS77 4.5 0.2 1.0 N F:CYS65 4.5 0.2 1.0 SG F:CYS57 4.6 0.9 1.0 CB F:ALA60 4.6 0.4 1.0 N F:MET59 4.7 0.5 1.0 CD1 F:LEU75 4.7 0.9 1.0

C.A.Starbird, E.Maklashina, P.Sharma, S.Qualls-Histed, G.Cecchini, T.M.Iverson. Structural and Biochemical Analyses Reveal Insights Into Covalent Flavinylation of the Escherichia Coli Complex II Homolog Quinol:Fumarate Reductase. J. Biol. Chem. V. 292 12921 2017.
ISSN: ESSN 1083-351X
PubMed: 28615448
DOI: 10.1074/JBC.M117.795120