Iron in PDB 7m1n: Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1

The structure of Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1, PDB code: 7m1n was solved by P.S.Steindel, B.Li, S.J.Elliott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.00 / 2.06
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	39.635, 69.103, 95.788, 90, 90, 90
R / Rfree (%)	19.3 / 21.3

The binding sites of Iron atom in the Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1 (pdb code 7m1n). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1, PDB code: 7m1n:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:16.2 occ:1.00 FE1 A:SF4101 0.0 16.2 1.0 SG A:CYS12 2.3 18.4 1.0 S4 A:SF4101 2.3 15.7 1.0 S3 A:SF4101 2.3 15.6 1.0 S2 A:SF4101 2.3 15.9 1.0 FE4 A:SF4101 2.7 15.9 1.0 FE2 A:SF4101 2.7 14.9 1.0 FE3 A:SF4101 2.7 15.7 1.0 H A:SER14 3.2 22.7 1.0 HA A:CYS12 3.3 22.2 1.0 CB A:CYS12 3.4 30.5 1.0 H A:THR13 3.4 24.4 1.0 HB2 A:CYS12 3.4 36.5 1.0 HB3 A:ALA34 3.6 26.0 1.0 H A:CYS15 3.7 20.7 1.0 HB2 A:ALA34 3.7 26.0 1.0 CA A:CYS12 3.8 18.5 1.0 S1 A:SF4101 3.9 15.4 1.0 H A:ALA34 3.9 26.6 1.0 N A:SER14 3.9 18.9 1.0 N A:THR13 3.9 20.4 1.0 HA A:SER14 4.0 21.8 1.0 HB2 A:SER66 4.1 14.7 1.0 CB A:ALA34 4.1 21.7 1.0 HB3 A:CYS12 4.2 36.5 1.0 C A:CYS12 4.3 18.4 1.0 HG A:SER64 4.3 42.1 1.0 CA A:SER14 4.4 18.2 1.0 N A:CYS15 4.5 17.2 1.0 OG A:SER64 4.6 35.1 1.0 H A:GLU16 4.6 20.6 1.0 N A:ALA34 4.6 22.1 1.0 HG13 A:VAL7 4.7 37.5 1.0 SG A:CYS18 4.7 17.2 1.0 HG11 A:VAL7 4.7 37.5 1.0 CB A:SER66 4.8 12.2 1.0 HB1 A:ALA34 4.8 26.0 1.0 SG A:CYS62 4.8 14.4 1.0 C A:THR13 4.8 18.9 1.0 HB3 A:SER66 4.9 14.7 1.0 SG A:CYS15 4.9 15.8 1.0 OG A:SER66 4.9 29.6 1.0 HA A:ILE33 5.0 26.7 1.0 CA A:THR13 5.0 24.8 1.0

Iron binding site 2 out of 8 in the Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:14.9 occ:1.00 FE2 A:SF4101 0.0 14.9 1.0 SG A:CYS62 2.3 14.4 1.0 S1 A:SF4101 2.3 15.4 1.0 S3 A:SF4101 2.3 15.6 1.0 S4 A:SF4101 2.3 15.7 1.0 FE3 A:SF4101 2.7 15.7 1.0 FE1 A:SF4101 2.7 16.2 1.0 FE4 A:SF4101 2.7 15.9 1.0 HD2 A:PRO63 3.2 17.1 1.0 HG A:SER64 3.2 42.1 1.0 HB2 A:CYS62 3.3 24.5 1.0 HB2 A:SER66 3.3 14.7 1.0 CB A:CYS62 3.4 20.4 1.0 HG13 A:ILE67 3.4 20.6 1.0 HA A:CYS62 3.6 24.4 1.0 HD11 A:ILE67 3.8 18.5 1.0 OG A:SER64 3.8 35.1 1.0 S2 A:SF4101 3.9 15.9 1.0 CA A:CYS62 4.0 20.4 1.0 H A:SER64 4.1 18.6 1.0 H A:SER66 4.1 19.8 1.0 CD A:PRO63 4.1 14.3 1.0 HB3 A:CYS62 4.2 24.5 1.0 CG1 A:ILE67 4.2 17.1 1.0 CB A:SER66 4.3 12.2 1.0 HD12 A:ILE67 4.3 18.5 1.0 CD1 A:ILE67 4.3 15.4 1.0 HA A:CYS12 4.5 22.2 1.0 HG A:SER66 4.5 35.6 1.0 HG2 A:PRO63 4.6 16.8 1.0 HG12 A:ILE67 4.6 20.6 1.0 C A:CYS62 4.6 13.7 1.0 N A:PRO63 4.6 14.1 1.0 HB3 A:CYS18 4.6 19.0 1.0 SG A:CYS15 4.6 15.8 1.0 H A:ILE67 4.6 24.1 1.0 HD3 A:PRO63 4.7 17.1 1.0 OG A:SER66 4.7 29.6 1.0 H A:THR13 4.7 24.4 1.0 HB3 A:SER66 4.8 14.7 1.0 SG A:CYS18 4.8 17.2 1.0 N A:SER66 4.9 16.5 1.0 SG A:CYS12 4.9 18.4 1.0 N A:SER64 4.9 15.5 1.0 CG A:PRO63 4.9 14.0 1.0

Iron binding site 3 out of 8 in the Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:15.7 occ:1.00 FE3 A:SF4101 0.0 15.7 1.0 S2 A:SF4101 2.3 15.9 1.0 S4 A:SF4101 2.3 15.7 1.0 SG A:CYS15 2.3 15.8 1.0 S1 A:SF4101 2.3 15.4 1.0 FE2 A:SF4101 2.7 14.9 1.0 FE4 A:SF4101 2.7 15.9 1.0 FE1 A:SF4101 2.7 16.2 1.0 H A:CYS15 2.8 20.7 1.0 H A:LEU17 3.3 23.3 1.0 HD2 A:PRO63 3.3 17.1 1.0 CB A:CYS15 3.4 16.8 1.0 HB3 A:CYS15 3.4 20.1 1.0 H A:GLU16 3.5 20.6 1.0 N A:CYS15 3.5 17.2 1.0 HB3 A:LEU17 3.7 26.7 1.0 CA A:CYS15 3.8 17.0 1.0 S3 A:SF4101 3.9 15.6 1.0 N A:GLU16 3.9 17.1 1.0 H A:CYS18 3.9 19.2 1.0 N A:LEU17 4.1 19.4 1.0 C A:CYS15 4.1 17.0 1.0 CD A:PRO63 4.1 14.3 1.0 HB2 A:CYS15 4.2 20.1 1.0 HG2 A:PRO63 4.3 16.8 1.0 HD3 A:PRO63 4.3 17.1 1.0 CB A:LEU17 4.4 22.3 1.0 H A:SER14 4.5 22.7 1.0 HG3 A:PRO63 4.5 16.8 1.0 HB2 A:LEU17 4.5 26.7 1.0 CG A:PRO63 4.5 14.0 1.0 H A:THR13 4.5 24.4 1.0 HA A:CYS62 4.5 24.4 1.0 C A:SER14 4.6 24.3 1.0 HG A:SER64 4.7 42.1 1.0 SG A:CYS62 4.7 14.4 1.0 HA A:SER14 4.7 21.8 1.0 N A:SER14 4.7 18.9 1.0 N A:CYS18 4.7 16.0 1.0 SG A:CYS18 4.8 17.2 1.0 SG A:CYS12 4.8 18.4 1.0 HA A:CYS15 4.8 20.4 1.0 CA A:LEU17 4.8 24.4 1.0 OG1 A:THR13 4.8 21.7 1.0 CA A:GLU16 4.9 25.1 1.0 C A:GLU16 4.9 22.1 1.0 CA A:SER14 4.9 18.2 1.0 O A:CYS15 5.0 20.6 1.0

Iron binding site 4 out of 8 in the Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:15.9 occ:1.00 FE4 A:SF4101 0.0 15.9 1.0 S1 A:SF4101 2.3 15.4 1.0 S2 A:SF4101 2.3 15.9 1.0 SG A:CYS18 2.3 17.2 1.0 S3 A:SF4101 2.3 15.6 1.0 FE1 A:SF4101 2.7 16.2 1.0 FE3 A:SF4101 2.7 15.7 1.0 FE2 A:SF4101 2.7 14.9 1.0 H A:CYS18 3.0 19.2 1.0 HB3 A:CYS18 3.0 19.0 1.0 HB2 A:ALA34 3.2 26.0 1.0 CB A:CYS18 3.3 15.9 1.0 HD11 A:ILE67 3.3 18.5 1.0 HB3 A:ALA34 3.4 26.0 1.0 CB A:ALA34 3.6 21.7 1.0 HB1 A:ALA34 3.8 26.0 1.0 N A:CYS18 3.8 16.0 1.0 S4 A:SF4101 3.9 15.7 1.0 HB2 A:CYS18 4.0 19.0 1.0 CA A:CYS18 4.2 23.2 1.0 CD1 A:ILE67 4.2 15.4 1.0 HG13 A:ILE67 4.3 20.6 1.0 H A:LEU17 4.4 23.3 1.0 HB3 A:LEU17 4.4 26.7 1.0 H A:TYR19 4.5 22.3 1.0 HG12 A:ILE67 4.6 20.6 1.0 HD12 A:ILE67 4.6 18.5 1.0 H A:GLU16 4.6 20.6 1.0 CG1 A:ILE67 4.6 17.1 1.0 SG A:CYS12 4.6 18.4 1.0 HD1 A:TYR19 4.7 24.2 1.0 SG A:CYS15 4.7 15.8 1.0 N A:LEU17 4.7 19.4 1.0 HB2 A:CYS62 4.7 24.5 1.0 HE1 A:TYR19 4.8 22.3 1.0 SG A:CYS62 4.8 14.4 1.0 HA A:CYS18 4.8 27.9 1.0 HD13 A:ILE67 4.9 18.5 1.0 H A:CYS15 4.9 20.7 1.0 H A:ALA34 4.9 26.6 1.0 C A:LEU17 5.0 33.5 1.0

Iron binding site 5 out of 8 in the Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:17.9 occ:1.00 FE1 B:SF4101 0.0 17.9 1.0 SG B:CYS15 2.3 16.5 1.0 S4 B:SF4101 2.3 18.7 1.0 S2 B:SF4101 2.3 19.0 1.0 S3 B:SF4101 2.3 18.3 1.0 FE4 B:SF4101 2.7 18.9 1.0 FE3 B:SF4101 2.7 19.7 1.0 FE2 B:SF4101 2.7 18.1 1.0 H B:CYS15 2.8 22.6 1.0 HD2 B:PRO63 3.2 23.2 1.0 H B:LEU17 3.4 17.1 1.0 CB B:CYS15 3.4 17.1 1.0 H B:GLU16 3.4 19.9 1.0 N B:CYS15 3.5 18.9 1.0 HB3 B:CYS15 3.5 20.5 1.0 HB3 B:LEU17 3.8 15.9 1.0 CA B:CYS15 3.9 17.4 1.0 N B:GLU16 3.9 16.5 1.0 S1 B:SF4101 3.9 19.0 1.0 CD B:PRO63 4.0 19.4 1.0 H B:CYS18 4.0 17.1 1.0 HG2 B:PRO63 4.1 25.7 1.0 C B:CYS15 4.1 22.2 1.0 N B:LEU17 4.1 14.3 1.0 HD3 B:PRO63 4.2 23.2 1.0 HB2 B:CYS15 4.3 20.5 1.0 HG3 B:PRO63 4.3 25.7 1.0 CG B:PRO63 4.3 21.4 1.0 H B:SER14 4.5 26.7 1.0 HA B:CYS62 4.5 22.2 1.0 CB B:LEU17 4.5 13.3 1.0 HB2 B:LEU17 4.6 15.9 1.0 C B:SER14 4.6 23.2 1.0 H B:THR13 4.7 36.9 1.0 HA B:SER14 4.7 25.9 1.0 SG B:CYS62 4.7 19.5 1.0 HG B:SER64 4.7 26.6 1.0 SG B:CYS18 4.7 17.2 1.0 N B:SER14 4.7 22.2 1.0 SG B:CYS12 4.8 23.2 1.0 HA B:CYS15 4.8 20.9 1.0 N B:CYS18 4.8 14.2 1.0 CA B:GLU16 4.8 19.6 1.0 OG1 B:THR13 4.9 25.7 1.0 CA B:LEU17 4.9 13.1 1.0 C B:GLU16 4.9 32.2 1.0 CA B:SER14 4.9 21.6 1.0 HA B:GLU16 5.0 23.5 1.0

Iron binding site 6 out of 8 in the Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:18.1 occ:1.00 FE2 B:SF4101 0.0 18.1 1.0 S1 B:SF4101 2.3 19.0 1.0 S4 B:SF4101 2.3 18.7 1.0 S3 B:SF4101 2.3 18.3 1.0 SG B:CYS18 2.3 17.2 1.0 FE3 B:SF4101 2.7 19.7 1.0 FE1 B:SF4101 2.7 17.9 1.0 FE4 B:SF4101 2.7 18.9 1.0 HB3 B:CYS18 3.1 18.9 1.0 H B:CYS18 3.1 17.1 1.0 HD11 B:ILE67 3.3 21.1 1.0 CB B:CYS18 3.3 15.7 1.0 HB2 B:ALA34 3.3 27.0 1.0 HB3 B:ALA34 3.4 27.0 1.0 CB B:ALA34 3.7 22.5 1.0 S2 B:SF4101 3.9 19.0 1.0 N B:CYS18 3.9 14.2 1.0 HB1 B:ALA34 3.9 27.0 1.0 HB2 B:CYS18 4.0 18.9 1.0 HG13 B:ILE67 4.1 23.2 1.0 CD1 B:ILE67 4.2 17.6 1.0 CA B:CYS18 4.2 17.9 1.0 HG12 B:ILE67 4.5 23.2 1.0 HB3 B:LEU17 4.5 15.9 1.0 H B:LEU17 4.5 17.1 1.0 CG1 B:ILE67 4.5 19.3 1.0 HD12 B:ILE67 4.6 21.1 1.0 H B:GLU16 4.6 19.9 1.0 SG B:CYS12 4.7 23.2 1.0 H B:TYR19 4.7 17.7 1.0 SG B:CYS15 4.7 16.5 1.0 HB2 B:CYS62 4.8 22.4 1.0 HG11 B:VAL7 4.8 29.5 1.0 N B:LEU17 4.8 14.3 1.0 SG B:CYS62 4.8 19.5 1.0 HD13 B:ILE67 4.9 21.1 1.0 HD2 B:TYR19 4.9 20.9 1.0 HG13 B:VAL7 4.9 29.5 1.0 HA B:CYS18 4.9 21.4 1.0 H B:CYS15 4.9 22.6 1.0 H B:ALA34 4.9 32.5 1.0 HD2 B:PRO63 5.0 23.2 1.0

Iron binding site 7 out of 8 in the Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:19.7 occ:1.00 FE3 B:SF4101 0.0 19.7 1.0 S1 B:SF4101 2.3 19.0 1.0 S4 B:SF4101 2.3 18.7 1.0 S2 B:SF4101 2.3 19.0 1.0 SG B:CYS12 2.3 23.2 1.0 FE2 B:SF4101 2.7 18.1 1.0 FE1 B:SF4101 2.7 17.9 1.0 FE4 B:SF4101 2.7 18.9 1.0 H B:SER14 3.3 26.7 1.0 HA B:CYS12 3.4 34.5 1.0 CB B:CYS12 3.5 25.2 1.0 H B:THR13 3.5 36.9 1.0 HB2 B:CYS12 3.6 30.2 1.0 HB3 B:ALA34 3.6 27.0 1.0 H B:CYS15 3.7 22.6 1.0 CA B:CYS12 3.9 28.8 1.0 S3 B:SF4101 3.9 18.3 1.0 H B:ALA34 3.9 32.5 1.0 HB2 B:ALA34 3.9 27.0 1.0 N B:SER14 4.0 22.2 1.0 HB2 B:SER66 4.0 26.4 1.0 HA B:SER14 4.0 25.9 1.0 N B:THR13 4.0 30.8 1.0 HG B:SER64 4.2 26.6 1.0 CB B:ALA34 4.2 22.5 1.0 HB3 B:CYS12 4.3 30.2 1.0 C B:CYS12 4.3 33.7 1.0 HG11 B:VAL7 4.4 29.5 1.0 CA B:SER14 4.5 21.6 1.0 N B:CYS15 4.5 18.9 1.0 HG13 B:VAL7 4.5 29.5 1.0 OG B:SER64 4.5 22.2 1.0 H B:GLU16 4.6 19.9 1.0 N B:ALA34 4.7 27.1 1.0 SG B:CYS18 4.7 17.2 1.0 CB B:SER66 4.8 22.0 1.0 SG B:CYS62 4.8 19.5 1.0 HB3 B:SER66 4.9 26.4 1.0 CG1 B:VAL7 4.9 24.6 1.0 SG B:CYS15 4.9 16.5 1.0 HB1 B:ALA34 4.9 27.0 1.0 C B:THR13 4.9 22.7 1.0 HA B:ILE33 4.9 36.0 1.0 HD2 B:PRO63 4.9 23.2 1.0

Iron binding site 8 out of 8 in the Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Wild-Type Hydrogenobacter Thermophilus Ferredoxin 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:18.9 occ:1.00 FE4 B:SF4101 0.0 18.9 1.0 S3 B:SF4101 2.3 18.3 1.0 SG B:CYS62 2.3 19.5 1.0 S2 B:SF4101 2.3 19.0 1.0 S1 B:SF4101 2.3 19.0 1.0 FE1 B:SF4101 2.7 17.9 1.0 FE3 B:SF4101 2.7 19.7 1.0 FE2 B:SF4101 2.7 18.1 1.0 HD2 B:PRO63 3.1 23.2 1.0 HB2 B:CYS62 3.3 22.4 1.0 HG B:SER64 3.4 26.6 1.0 CB B:CYS62 3.4 18.7 1.0 HG13 B:ILE67 3.4 23.2 1.0 HB2 B:SER66 3.4 26.4 1.0 HA B:CYS62 3.6 22.2 1.0 HD11 B:ILE67 3.8 21.1 1.0 S4 B:SF4101 3.9 18.7 1.0 OG B:SER64 4.0 22.2 1.0 CA B:CYS62 4.0 18.5 1.0 H B:SER64 4.0 30.1 1.0 CD B:PRO63 4.0 19.4 1.0 H B:SER66 4.1 35.2 1.0 HB3 B:CYS62 4.2 22.4 1.0 CG1 B:ILE67 4.2 19.3 1.0 HD12 B:ILE67 4.2 21.1 1.0 CD1 B:ILE67 4.3 17.6 1.0 CB B:SER66 4.3 22.0 1.0 HG2 B:PRO63 4.4 25.7 1.0 H B:ILE67 4.4 28.1 1.0 C B:CYS62 4.5 19.4 1.0 N B:PRO63 4.5 19.7 1.0 HA B:CYS12 4.6 34.5 1.0 HG12 B:ILE67 4.6 23.2 1.0 HD3 B:PRO63 4.6 23.2 1.0 SG B:CYS15 4.6 16.5 1.0 HB3 B:CYS18 4.7 18.9 1.0 N B:SER66 4.8 29.3 1.0 HG B:SER66 4.8 37.8 1.0 CG B:PRO63 4.8 21.4 1.0 H B:THR13 4.8 36.9 1.0 SG B:CYS18 4.9 17.2 1.0 HB3 B:SER66 4.9 26.4 1.0 OG B:SER66 4.9 31.5 1.0 N B:SER64 4.9 25.1 1.0 SG B:CYS12 4.9 23.2 1.0 N B:ILE67 4.9 23.4 1.0 CA B:SER66 5.0 22.1 1.0 HG13 B:VAL7 5.0 29.5 1.0

B.Li, P.Steindel, N.Haddad, S.J.Elliott. Maximizing (Electro)Catalytic CO2 Reduction with A Ferredoxin-Based Reduction Potential Gradient Acs Catalysis V. 11 4009 2021.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.1C00092