Iron in PDB 7m1o: Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant

The structure of Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant, PDB code: 7m1o 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)	36.62 / 1.98
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 (%)	18.6 / 21.9

The binding sites of Iron atom in the Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant (pdb code 7m1o). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant, PDB code: 7m1o:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:19.9 occ:1.00 FE1 A:SF4101 0.0 19.9 1.0 SG A:CYS12 2.3 21.6 1.0 S4 A:SF4101 2.3 19.5 1.0 S3 A:SF4101 2.3 18.6 1.0 S2 A:SF4101 2.3 20.2 1.0 FE4 A:SF4101 2.7 19.3 1.0 FE3 A:SF4101 2.7 20.7 1.0 FE2 A:SF4101 2.7 20.0 1.0 H A:SER14 3.2 28.8 1.0 H A:THR13 3.4 32.2 1.0 CB A:CYS12 3.4 24.6 1.0 HA A:CYS12 3.4 30.8 1.0 HB2 A:CYS12 3.4 29.5 1.0 HB3 A:ALA34 3.7 28.6 1.0 H A:CYS15 3.7 23.1 1.0 CA A:CYS12 3.8 25.7 1.0 S1 A:SF4101 3.9 18.5 1.0 H A:ALA34 3.9 28.6 1.0 N A:THR13 3.9 26.9 1.0 N A:SER14 3.9 24.0 1.0 HB2 A:ALA34 4.0 28.6 1.0 HA A:SER14 4.0 26.4 1.0 HB2 A:SER66 4.1 35.0 1.0 HB3 A:CYS12 4.2 29.5 1.0 C A:CYS12 4.3 25.3 1.0 CB A:ALA34 4.3 23.9 1.0 N A:CYS15 4.4 19.2 1.0 CA A:SER14 4.5 22.0 1.0 H A:GLU16 4.5 22.0 1.0 N A:ALA34 4.7 23.9 1.0 HG13 A:VAL7 4.7 42.8 1.0 SG A:CYS18 4.8 19.8 1.0 HG11 A:VAL7 4.8 42.8 1.0 SG A:CYS62 4.8 19.1 1.0 HA A:ILE33 4.8 29.4 1.0 CB A:SER66 4.8 29.1 1.0 C A:THR13 4.9 25.5 1.0 OG A:SER66 4.9 31.8 1.0 SG A:CYS15 4.9 19.6 1.0 HG1 A:THR13 4.9 32.7 1.0 HD2 A:PRO63 5.0 23.6 1.0 CA A:THR13 5.0 27.8 1.0 HB3 A:SER66 5.0 35.0 1.0 C A:SER14 5.0 20.2 1.0

Iron binding site 2 out of 8 in the Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:20.0 occ:1.00 FE2 A:SF4101 0.0 20.0 1.0 SG A:CYS62 2.3 19.1 1.0 S3 A:SF4101 2.3 18.6 1.0 S4 A:SF4101 2.3 19.5 1.0 S1 A:SF4101 2.3 18.5 1.0 FE3 A:SF4101 2.7 20.7 1.0 FE1 A:SF4101 2.7 19.9 1.0 FE4 A:SF4101 2.7 19.3 1.0 HD2 A:PRO63 3.1 23.6 1.0 HB2 A:CYS62 3.3 22.4 1.0 HB2 A:SER66 3.3 35.0 1.0 CB A:CYS62 3.4 18.7 1.0 HG13 A:ILE67 3.4 28.7 1.0 HA A:CYS62 3.6 23.0 1.0 HD11 A:ILE67 3.7 27.8 1.0 S2 A:SF4101 3.9 20.2 1.0 CA A:CYS62 4.0 19.1 1.0 CD A:PRO63 4.1 19.7 1.0 H A:ALA64 4.1 25.3 1.0 H A:SER66 4.1 26.0 1.0 HB3 A:CYS62 4.2 22.4 1.0 CG1 A:ILE67 4.2 23.9 1.0 HB3 A:ALA64 4.2 26.3 1.0 CB A:SER66 4.3 29.1 1.0 CD1 A:ILE67 4.3 23.1 1.0 HD12 A:ILE67 4.3 27.8 1.0 HA A:CYS12 4.4 30.8 1.0 HG12 A:ILE67 4.5 28.7 1.0 OG A:SER66 4.5 31.8 1.0 HG2 A:PRO63 4.5 23.1 1.0 H A:ILE67 4.6 28.6 1.0 HD3 A:PRO63 4.6 23.6 1.0 C A:CYS62 4.6 20.5 1.0 N A:PRO63 4.6 20.7 1.0 SG A:CYS15 4.6 19.6 1.0 HB3 A:CYS18 4.6 23.2 1.0 H A:THR13 4.7 32.2 1.0 HB3 A:SER66 4.8 35.0 1.0 SG A:CYS12 4.8 21.6 1.0 SG A:CYS18 4.8 19.8 1.0 CG A:PRO63 4.9 19.3 1.0 N A:SER66 4.9 21.7 1.0 N A:ALA64 4.9 21.1 1.0 HB2 A:CYS12 4.9 29.5 1.0 H A:CYS18 5.0 20.9 1.0

Iron binding site 3 out of 8 in the Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:20.7 occ:1.00 FE3 A:SF4101 0.0 20.7 1.0 SG A:CYS15 2.3 19.6 1.0 S1 A:SF4101 2.3 18.5 1.0 S2 A:SF4101 2.3 20.2 1.0 S4 A:SF4101 2.3 19.5 1.0 FE2 A:SF4101 2.7 20.0 1.0 FE1 A:SF4101 2.7 19.9 1.0 FE4 A:SF4101 2.7 19.3 1.0 H A:CYS15 2.9 23.1 1.0 H A:LEU17 3.2 23.8 1.0 HD2 A:PRO63 3.3 23.6 1.0 H A:GLU16 3.3 22.0 1.0 CB A:CYS15 3.4 18.9 1.0 HB3 A:CYS15 3.4 22.6 1.0 N A:CYS15 3.6 19.2 1.0 HB3 A:LEU17 3.7 26.8 1.0 N A:GLU16 3.8 18.3 1.0 CA A:CYS15 3.8 18.5 1.0 S3 A:SF4101 3.9 18.6 1.0 H A:CYS18 3.9 20.9 1.0 N A:LEU17 4.0 19.9 1.0 CD A:PRO63 4.1 19.7 1.0 C A:CYS15 4.1 18.6 1.0 HB2 A:CYS15 4.2 22.6 1.0 HD3 A:PRO63 4.2 23.6 1.0 HG2 A:PRO63 4.3 23.1 1.0 HG3 A:PRO63 4.4 23.1 1.0 CB A:LEU17 4.4 22.3 1.0 HG1 A:THR13 4.5 32.7 1.0 CG A:PRO63 4.5 19.3 1.0 HB2 A:LEU17 4.5 26.8 1.0 H A:THR13 4.5 32.2 1.0 HA A:CYS62 4.5 23.0 1.0 H A:SER14 4.5 28.8 1.0 C A:SER14 4.7 20.2 1.0 SG A:CYS62 4.7 19.1 1.0 N A:CYS18 4.7 17.4 1.0 CA A:GLU16 4.7 19.7 1.0 SG A:CYS18 4.7 19.8 1.0 CA A:LEU17 4.8 19.7 1.0 HA A:CYS15 4.8 22.2 1.0 N A:SER14 4.8 24.0 1.0 SG A:CYS12 4.8 21.6 1.0 HA A:SER14 4.8 26.4 1.0 C A:GLU16 4.8 18.5 1.0 HA A:GLU16 4.9 23.7 1.0 OG1 A:THR13 4.9 27.3 1.0 O A:CYS15 5.0 19.7 1.0

Iron binding site 4 out of 8 in the Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe101 b:19.3 occ:1.00 FE4 A:SF4101 0.0 19.3 1.0 S1 A:SF4101 2.3 18.5 1.0 SG A:CYS18 2.3 19.8 1.0 S2 A:SF4101 2.3 20.2 1.0 S3 A:SF4101 2.3 18.6 1.0 FE1 A:SF4101 2.7 19.9 1.0 FE3 A:SF4101 2.7 20.7 1.0 FE2 A:SF4101 2.7 20.0 1.0 H A:CYS18 3.0 20.9 1.0 HB3 A:CYS18 3.1 23.2 1.0 HD11 A:ILE67 3.3 27.8 1.0 CB A:CYS18 3.3 19.3 1.0 HB2 A:ALA34 3.4 28.6 1.0 HB3 A:ALA34 3.5 28.6 1.0 CB A:ALA34 3.8 23.9 1.0 N A:CYS18 3.8 17.4 1.0 S4 A:SF4101 3.9 19.5 1.0 HB1 A:ALA34 4.0 28.6 1.0 HB2 A:CYS18 4.0 23.2 1.0 CA A:CYS18 4.2 18.7 1.0 CD1 A:ILE67 4.2 23.1 1.0 HG13 A:ILE67 4.3 28.7 1.0 H A:LEU17 4.3 23.8 1.0 HB3 A:LEU17 4.4 26.8 1.0 H A:TYR19 4.5 25.6 1.0 HG12 A:ILE67 4.5 28.7 1.0 H A:GLU16 4.5 22.0 1.0 HD12 A:ILE67 4.6 27.8 1.0 CG1 A:ILE67 4.6 23.9 1.0 HD1 A:TYR19 4.6 22.8 1.0 SG A:CYS12 4.7 21.6 1.0 N A:LEU17 4.7 19.9 1.0 SG A:CYS15 4.7 19.6 1.0 HD13 A:ILE67 4.8 27.8 1.0 HB2 A:CYS62 4.8 22.4 1.0 HE1 A:TYR19 4.8 23.8 1.0 SG A:CYS62 4.8 19.1 1.0 HA A:CYS18 4.8 22.5 1.0 H A:ALA34 5.0 28.6 1.0 C A:LEU17 5.0 17.8 1.0

Iron binding site 5 out of 8 in the Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:21.6 occ:1.00 FE1 B:SF4101 0.0 21.6 1.0 SG B:CYS15 2.3 20.3 1.0 S4 B:SF4101 2.3 22.1 1.0 S3 B:SF4101 2.3 20.6 1.0 S2 B:SF4101 2.3 23.2 1.0 FE4 B:SF4101 2.7 23.9 1.0 FE2 B:SF4101 2.7 20.7 1.0 FE3 B:SF4101 2.7 24.2 1.0 H B:CYS15 2.8 29.2 1.0 HD2 B:PRO63 3.2 29.9 1.0 H B:LEU17 3.4 25.6 1.0 H B:GLU16 3.4 26.6 1.0 CB B:CYS15 3.4 20.9 1.0 HB3 B:CYS15 3.5 25.1 1.0 N B:CYS15 3.5 24.3 1.0 HB3 B:LEU17 3.8 22.7 1.0 N B:GLU16 3.8 22.1 1.0 S1 B:SF4101 3.9 22.2 1.0 CA B:CYS15 3.9 22.1 1.0 H B:CYS18 4.0 23.5 1.0 CD B:PRO63 4.0 24.9 1.0 N B:LEU17 4.1 21.4 1.0 C B:CYS15 4.1 21.8 1.0 HD3 B:PRO63 4.2 29.9 1.0 HB2 B:CYS15 4.3 25.1 1.0 HG2 B:PRO63 4.3 30.4 1.0 H B:SER14 4.4 35.5 1.0 HA B:CYS62 4.4 29.6 1.0 HB2 B:LEU17 4.5 22.7 1.0 HG3 B:PRO63 4.5 30.4 1.0 CB B:LEU17 4.5 18.9 1.0 CG B:PRO63 4.5 25.4 1.0 H B:THR13 4.6 37.8 1.0 C B:SER14 4.6 26.9 1.0 SG B:CYS62 4.7 25.3 1.0 HA B:SER14 4.7 34.5 1.0 N B:SER14 4.7 29.6 1.0 SG B:CYS18 4.8 19.0 1.0 N B:CYS18 4.8 19.6 1.0 SG B:CYS12 4.8 25.8 1.0 CA B:GLU16 4.8 23.6 1.0 HA B:CYS15 4.8 26.5 1.0 OG1 B:THR13 4.8 31.7 1.0 CA B:LEU17 4.9 20.9 1.0 C B:GLU16 4.9 23.9 1.0 HA B:GLU16 4.9 28.4 1.0 CA B:SER14 4.9 28.8 1.0 HB3 B:CYS18 5.0 21.3 1.0

Iron binding site 6 out of 8 in the Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:20.7 occ:1.00 FE2 B:SF4101 0.0 20.7 1.0 S4 B:SF4101 2.3 22.1 1.0 S3 B:SF4101 2.3 20.6 1.0 S1 B:SF4101 2.3 22.2 1.0 SG B:CYS18 2.3 19.0 1.0 FE3 B:SF4101 2.7 24.2 1.0 FE1 B:SF4101 2.7 21.6 1.0 FE4 B:SF4101 2.7 23.9 1.0 HB3 B:CYS18 3.0 21.3 1.0 H B:CYS18 3.1 23.5 1.0 HD11 B:ILE67 3.1 27.5 1.0 CB B:CYS18 3.3 17.8 1.0 HB2 B:ALA34 3.4 33.0 1.0 HB3 B:ALA34 3.5 33.0 1.0 CB B:ALA34 3.8 27.5 1.0 N B:CYS18 3.9 19.6 1.0 S2 B:SF4101 3.9 23.2 1.0 HB2 B:CYS18 4.0 21.3 1.0 HB1 B:ALA34 4.0 33.0 1.0 CD1 B:ILE67 4.1 22.9 1.0 HG13 B:ILE67 4.1 28.2 1.0 CA B:CYS18 4.2 18.2 1.0 HG12 B:ILE67 4.4 28.2 1.0 CG1 B:ILE67 4.4 23.5 1.0 HD12 B:ILE67 4.4 27.5 1.0 H B:LEU17 4.5 25.6 1.0 HB3 B:LEU17 4.5 22.7 1.0 H B:GLU16 4.6 26.6 1.0 H B:TYR19 4.7 22.2 1.0 HD13 B:ILE67 4.7 27.5 1.0 SG B:CYS12 4.7 25.8 1.0 SG B:CYS15 4.7 20.3 1.0 HB2 B:CYS62 4.8 29.4 1.0 N B:LEU17 4.8 21.4 1.0 SG B:CYS62 4.8 25.3 1.0 HA B:CYS18 4.8 21.9 1.0 HD2 B:TYR19 4.9 26.2 1.0 HG11 B:VAL7 4.9 34.8 1.0 H B:ALA34 4.9 38.3 1.0 HG13 B:VAL7 4.9 34.8 1.0 H B:CYS15 5.0 29.2 1.0

Iron binding site 7 out of 8 in the Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:24.2 occ:1.00 FE3 B:SF4101 0.0 24.2 1.0 S1 B:SF4101 2.3 22.2 1.0 S4 B:SF4101 2.3 22.1 1.0 SG B:CYS12 2.3 25.8 1.0 S2 B:SF4101 2.3 23.2 1.0 FE2 B:SF4101 2.7 20.7 1.0 FE4 B:SF4101 2.7 23.9 1.0 FE1 B:SF4101 2.7 21.6 1.0 H B:SER14 3.2 35.5 1.0 HA B:CYS12 3.4 38.1 1.0 CB B:CYS12 3.4 28.7 1.0 HB2 B:CYS12 3.5 34.4 1.0 H B:THR13 3.5 37.8 1.0 HB3 B:ALA34 3.7 33.0 1.0 H B:CYS15 3.8 29.2 1.0 H B:ALA34 3.9 38.3 1.0 CA B:CYS12 3.9 31.8 1.0 S3 B:SF4101 3.9 20.6 1.0 HB2 B:SER66 3.9 35.1 1.0 HB2 B:ALA34 3.9 33.0 1.0 N B:SER14 4.0 29.6 1.0 HA B:SER14 4.0 34.5 1.0 N B:THR13 4.0 31.5 1.0 HB3 B:CYS12 4.3 34.4 1.0 CB B:ALA34 4.3 27.5 1.0 C B:CYS12 4.3 31.8 1.0 HG11 B:VAL7 4.4 34.8 1.0 CA B:SER14 4.5 28.8 1.0 HG13 B:VAL7 4.5 34.8 1.0 N B:CYS15 4.5 24.3 1.0 H B:GLU16 4.5 26.6 1.0 CB B:SER66 4.6 29.3 1.0 N B:ALA34 4.7 31.9 1.0 SG B:CYS18 4.7 19.0 1.0 HB3 B:SER66 4.8 35.1 1.0 OG B:SER66 4.8 30.3 1.0 SG B:CYS62 4.8 25.3 1.0 HA B:ILE33 4.9 43.8 1.0 CG1 B:VAL7 4.9 29.0 1.0 SG B:CYS15 4.9 20.3 1.0 HD2 B:PRO63 4.9 29.9 1.0 C B:THR13 4.9 30.6 1.0 HB3 B:ALA64 4.9 37.8 1.0 HB1 B:ALA34 5.0 33.0 1.0

Iron binding site 8 out of 8 in the Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Hydrogenobacter Thermophilus Ferredoxin 1 S64A Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe101 b:23.9 occ:1.00 FE4 B:SF4101 0.0 23.9 1.0 SG B:CYS62 2.3 25.3 1.0 S2 B:SF4101 2.3 23.2 1.0 S1 B:SF4101 2.3 22.2 1.0 S3 B:SF4101 2.3 20.6 1.0 FE1 B:SF4101 2.7 21.6 1.0 FE3 B:SF4101 2.7 24.2 1.0 FE2 B:SF4101 2.7 20.7 1.0 HD2 B:PRO63 3.1 29.9 1.0 HB2 B:CYS62 3.2 29.4 1.0 HG13 B:ILE67 3.3 28.2 1.0 HB2 B:SER66 3.3 35.1 1.0 CB B:CYS62 3.3 24.5 1.0 HA B:CYS62 3.6 29.6 1.0 HD11 B:ILE67 3.7 27.5 1.0 S4 B:SF4101 3.9 22.1 1.0 CA B:CYS62 4.0 24.7 1.0 H B:SER66 4.0 36.5 1.0 H B:ALA64 4.0 36.0 1.0 CD B:PRO63 4.1 24.9 1.0 CG1 B:ILE67 4.1 23.5 1.0 HB3 B:CYS62 4.2 29.4 1.0 HD12 B:ILE67 4.2 27.5 1.0 CD1 B:ILE67 4.2 22.9 1.0 CB B:SER66 4.2 29.3 1.0 HB3 B:ALA64 4.3 37.8 1.0 H B:ILE67 4.4 33.0 1.0 HG12 B:ILE67 4.4 28.2 1.0 HA B:CYS12 4.5 38.1 1.0 C B:CYS62 4.5 24.6 1.0 N B:PRO63 4.5 25.2 1.0 HD3 B:PRO63 4.6 29.9 1.0 OG B:SER66 4.6 30.3 1.0 SG B:CYS15 4.6 20.3 1.0 HB3 B:CYS18 4.7 21.3 1.0 HG2 B:PRO63 4.7 30.4 1.0 N B:SER66 4.7 30.4 1.0 H B:THR13 4.8 37.8 1.0 HB3 B:SER66 4.8 35.1 1.0 SG B:CYS12 4.8 25.8 1.0 SG B:CYS18 4.9 19.0 1.0 N B:ILE67 4.9 27.5 1.0 N B:ALA64 4.9 30.0 1.0 CA B:SER66 5.0 29.0 1.0 HG13 B:VAL7 5.0 34.8 1.0 CG B:PRO63 5.0 25.4 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