Iron in PDB 7tep: Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant

The structure of Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant, PDB code: 7tep was solved by A.Kakkis, E.Golub, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.30 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.08, 80.57, 49.44, 90, 102.33, 90
R / Rfree (%)	25.3 / 33.9

The structure of Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant also contains other interesting chemical elements:

Copper

(Cu)

4 atoms

The binding sites of Iron atom in the Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant (pdb code 7tep). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant, PDB code: 7tep:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:21.9 occ:1.00 FE A:HEC201 0.0 21.9 1.0 NC A:HEC201 2.0 24.2 1.0 ND A:HEC201 2.0 25.7 1.0 NB A:HEC201 2.2 23.2 1.0 NA A:HEC201 2.3 25.2 1.0 SD A:MET7 2.4 23.8 1.0 HE1 A:MET7 2.4 28.7 1.0 NE2 A:HIS102 2.6 22.8 1.0 CE A:MET7 2.8 23.9 1.0 C4C A:HEC201 2.9 25.5 1.0 C1D A:HEC201 2.9 25.4 1.0 C1C A:HEC201 3.0 23.1 1.0 HE3 A:MET7 3.1 28.7 1.0 C4D A:HEC201 3.1 25.1 1.0 C4B A:HEC201 3.1 23.0 1.0 HG3 A:MET7 3.2 28.1 1.0 CHD A:HEC201 3.2 25.7 1.0 HD2 A:HIS102 3.2 28.2 1.0 C1B A:HEC201 3.2 23.6 1.0 CD2 A:HIS102 3.3 23.5 1.0 C4A A:HEC201 3.3 25.0 1.0 C1A A:HEC201 3.3 25.4 1.0 CG A:MET7 3.4 23.4 1.0 CHC A:HEC201 3.4 22.6 1.0 CHA A:HEC201 3.5 24.7 1.0 CHB A:HEC201 3.6 24.5 1.0 HE2 A:MET7 3.7 28.7 1.0 CE1 A:HIS102 3.7 23.3 1.0 HB3 A:MET7 3.8 27.5 1.0 HE1 A:HIS102 4.0 27.9 1.0 C3C A:HEC201 4.1 24.4 1.0 HG2 A:MET7 4.1 28.1 1.0 HHD A:HEC201 4.1 30.8 1.0 CB A:MET7 4.1 22.9 1.0 C2C A:HEC201 4.2 22.9 1.0 C2D A:HEC201 4.2 26.1 1.0 HH21 A:ARG106 4.3 28.6 1.0 C3D A:HEC201 4.3 26.8 1.0 HHC A:HEC201 4.4 27.2 1.0 C3B A:HEC201 4.4 22.8 1.0 HD23 A:LEU10 4.4 27.9 1.0 C2B A:HEC201 4.5 22.5 1.0 HHA A:HEC201 4.5 29.6 1.0 C3A A:HEC201 4.5 24.3 1.0 CG A:HIS102 4.5 23.8 1.0 C2A A:HEC201 4.6 24.5 1.0 HHB A:HEC201 4.6 29.4 1.0 HA A:MET7 4.6 27.4 1.0 ND1 A:HIS102 4.7 22.7 1.0 HD22 A:LEU10 4.7 27.9 1.0 HB3 A:CYS98 4.7 24.4 1.0 NH2 A:ARG106 4.9 23.9 1.0 HB2 A:MET7 4.9 27.5 1.0 HE A:ARG106 5.0 29.2 1.0 CA A:MET7 5.0 22.8 1.0

Iron binding site 2 out of 4 in the Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:25.0 occ:1.00 FE B:HEC201 0.0 25.0 1.0 NA B:HEC201 1.9 24.3 1.0 NB B:HEC201 1.9 25.0 1.0 ND B:HEC201 2.1 24.9 1.0 NC B:HEC201 2.1 25.2 1.0 SD B:MET7 2.7 26.9 1.0 HG3 B:MET7 2.7 30.6 1.0 NE2 B:HIS102 2.7 26.8 1.0 C1A B:HEC201 2.8 25.3 1.0 C4D B:HEC201 2.9 26.0 1.0 C4B B:HEC201 2.9 25.6 1.0 C4A B:HEC201 2.9 24.7 1.0 C1B B:HEC201 2.9 26.3 1.0 C1C B:HEC201 3.1 26.0 1.0 CG B:MET7 3.2 25.5 1.0 CE1 B:HIS102 3.2 27.0 1.0 CHA B:HEC201 3.2 25.7 1.0 C1D B:HEC201 3.2 23.4 1.0 HE1 B:HIS102 3.2 32.4 1.0 C4C B:HEC201 3.2 25.8 1.0 CHC B:HEC201 3.3 26.8 1.0 CHB B:HEC201 3.4 25.4 1.0 HE3 B:MET7 3.5 30.7 1.0 CD2 B:HIS102 3.6 26.7 1.0 CHD B:HEC201 3.6 24.7 1.0 HB3 B:MET7 3.6 31.0 1.0 CE B:MET7 3.7 25.6 1.0 HG2 B:MET7 3.9 30.6 1.0 HD2 B:HIS102 4.0 32.0 1.0 CB B:MET7 4.0 25.9 1.0 C2A B:HEC201 4.1 26.0 1.0 HE1 B:MET7 4.1 30.7 1.0 C3A B:HEC201 4.1 24.5 1.0 C3B B:HEC201 4.1 26.4 1.0 HHA B:HEC201 4.1 30.9 1.0 C2B B:HEC201 4.1 27.6 1.0 ND1 B:HIS102 4.2 28.6 1.0 C3D B:HEC201 4.2 25.6 1.0 C2C B:HEC201 4.3 24.4 1.0 HHC B:HEC201 4.3 32.1 1.0 HHB B:HEC201 4.3 30.5 1.0 C2D B:HEC201 4.3 24.4 1.0 C3C B:HEC201 4.4 24.1 1.0 CG B:HIS102 4.4 27.9 1.0 HA B:MET7 4.5 30.9 1.0 HE2 B:MET7 4.5 30.7 1.0 HHD B:HEC201 4.6 29.6 1.0 HB2 B:MET7 4.7 31.0 1.0 O B:HOH313 4.7 25.6 1.0 HD1 B:HIS102 4.8 34.4 1.0 CA B:MET7 4.8 25.7 1.0

Iron binding site 3 out of 4 in the Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:36.1 occ:1.00 FE C:HEC201 0.0 36.1 1.0 NB C:HEC201 1.9 32.5 1.0 HE3 C:MET7 2.0 37.6 1.0 NC C:HEC201 2.0 31.3 1.0 NA C:HEC201 2.0 34.0 1.0 ND C:HEC201 2.2 32.5 1.0 NE2 C:HIS102 2.4 31.5 1.0 C4B C:HEC201 2.8 32.4 1.0 HD2 C:HIS102 2.9 36.2 1.0 C1C C:HEC201 2.9 30.1 1.0 CE C:MET7 2.9 31.4 1.0 CD2 C:HIS102 3.0 30.1 1.0 C1A C:HEC201 3.0 34.5 1.0 C1B C:HEC201 3.1 32.3 1.0 C4C C:HEC201 3.1 31.0 1.0 C4A C:HEC201 3.1 33.0 1.0 C4D C:HEC201 3.1 32.6 1.0 C1D C:HEC201 3.2 31.4 1.0 HB3 C:MET7 3.2 43.4 1.0 CHC C:HEC201 3.2 30.9 1.0 HE2 C:MET7 3.3 37.6 1.0 HG3 C:MET7 3.3 40.9 1.0 HE1 C:MET7 3.4 37.6 1.0 CHA C:HEC201 3.4 33.4 1.0 CHB C:HEC201 3.5 32.0 1.0 CHD C:HEC201 3.5 31.2 1.0 CE1 C:HIS102 3.6 31.7 1.0 CG C:MET7 3.9 34.1 1.0 HE1 C:HIS102 3.9 38.0 1.0 CB C:MET7 3.9 36.1 1.0 HD3 C:ARG106 4.0 39.1 1.0 SD C:MET7 4.0 36.9 1.0 C3B C:HEC201 4.1 33.7 1.0 C2C C:HEC201 4.1 28.9 1.0 HHC C:HEC201 4.2 37.1 1.0 C2B C:HEC201 4.2 33.5 1.0 C3C C:HEC201 4.2 29.2 1.0 CG C:HIS102 4.2 30.5 1.0 HH11 C:ARG106 4.2 40.0 1.0 C2A C:HEC201 4.3 34.1 1.0 C3A C:HEC201 4.3 34.4 1.0 C2D C:HEC201 4.3 31.0 1.0 C3D C:HEC201 4.4 31.1 1.0 HHA C:HEC201 4.4 40.1 1.0 HHB C:HEC201 4.5 38.4 1.0 HHD C:HEC201 4.5 37.5 1.0 ND1 C:HIS102 4.5 31.3 1.0 HB2 C:MET7 4.6 43.4 1.0 HA C:MET7 4.6 40.5 1.0 HD13 C:LEU10 4.7 42.3 1.0 NH1 C:ARG106 4.8 33.4 1.0 HG2 C:MET7 4.8 40.9 1.0 HD12 C:LEU10 4.9 42.3 1.0 CA C:MET7 4.9 33.8 1.0 CD C:ARG106 4.9 32.6 1.0

Iron binding site 4 out of 4 in the Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of A Cu-Bound Cytochrome CB562 Variant in the Presence of Reductant within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:35.7 occ:1.00 FE D:HEC201 0.0 35.7 1.0 NC D:HEC201 1.8 31.2 1.0 NB D:HEC201 1.9 29.5 1.0 ND D:HEC201 2.2 31.6 1.0 NA D:HEC201 2.3 32.8 1.0 NE2 D:HIS102 2.4 31.9 1.0 C1C D:HEC201 2.8 31.0 1.0 C4B D:HEC201 2.8 29.4 1.0 C4C D:HEC201 2.9 31.5 1.0 C1B D:HEC201 3.0 30.2 1.0 C1D D:HEC201 3.0 33.0 1.0 CHC D:HEC201 3.1 30.7 1.0 SD D:MET7 3.2 35.4 1.0 C4D D:HEC201 3.2 33.0 1.0 C4A D:HEC201 3.3 32.5 1.0 CD2 D:HIS102 3.3 33.4 1.0 CHD D:HEC201 3.3 32.9 1.0 HD2 D:HIS102 3.4 40.1 1.0 C1A D:HEC201 3.4 33.9 1.0 HH11 D:ARG106 3.4 41.2 1.0 CE1 D:HIS102 3.5 30.6 1.0 HE3 D:MET7 3.5 39.2 1.0 CHB D:HEC201 3.5 31.9 1.0 HH12 D:ARG106 3.5 41.2 1.0 HB3 D:MET7 3.6 37.9 1.0 CHA D:HEC201 3.7 35.1 1.0 HE1 D:HIS102 3.7 36.7 1.0 HG3 D:MET7 3.7 37.4 1.0 CE D:MET7 3.8 32.7 1.0 NH1 D:ARG106 3.8 34.4 1.0 HE1 D:MET7 3.9 39.2 1.0 CG D:MET7 3.9 31.2 1.0 C3C D:HEC201 4.0 32.2 1.0 C2C D:HEC201 4.0 31.3 1.0 C3B D:HEC201 4.1 29.6 1.0 HHC D:HEC201 4.1 36.9 1.0 C2B D:HEC201 4.1 29.9 1.0 CB D:MET7 4.2 31.6 1.0 HHD D:HEC201 4.3 39.5 1.0 C2D D:HEC201 4.3 32.8 1.0 HA D:MET7 4.3 39.1 1.0 C3D D:HEC201 4.5 32.2 1.0 HHB D:HEC201 4.5 38.2 1.0 CG D:HIS102 4.5 34.2 1.0 ND1 D:HIS102 4.5 32.1 1.0 C3A D:HEC201 4.6 34.1 1.0 HHA D:HEC201 4.6 42.1 1.0 HB3 D:CYS98 4.6 35.6 1.0 C2A D:HEC201 4.6 33.9 1.0 HE2 D:MET7 4.7 39.2 1.0 HD3 D:ARG106 4.8 39.5 1.0 CA D:MET7 4.8 32.6 1.0 HG2 D:MET7 4.9 37.4 1.0

A.Kakkis, E.Golub. Crystal Structure of A Co-Bound Cytochrome CB562 Variant in the Presence of Reductant To Be Published.