Iron in PDB 6gd8: Cytochrome C in Complex with Sulfonato-Calix[8]Arene, P31 Form

The structure of Cytochrome C in Complex with Sulfonato-Calix[8]Arene, P31 Form, PDB code: 6gd8 was solved by M.L.Rennie, G.C.Fox, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.75 / 2.50
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	66.680, 66.680, 142.881, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 20

The binding sites of Iron atom in the Cytochrome C in Complex with Sulfonato-Calix[8]Arene, P31 Form (pdb code 6gd8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Cytochrome C in Complex with Sulfonato-Calix[8]Arene, P31 Form, PDB code: 6gd8:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Cytochrome C in Complex with Sulfonato-Calix[8]Arene, P31 Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Cytochrome C in Complex with Sulfonato-Calix[8]Arene, P31 Form 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 ND A:HEC201 1.9 21.3 1.0 NA A:HEC201 2.0 21.8 1.0 NC A:HEC201 2.1 22.6 1.0 NB A:HEC201 2.1 22.8 1.0 NE2 A:HIS18 2.2 29.2 1.0 SD A:MET80 2.5 34.4 1.0 C1D A:HEC201 2.9 20.8 1.0 C4D A:HEC201 2.9 20.9 1.0 C1A A:HEC201 3.0 21.8 1.0 C4A A:HEC201 3.0 22.3 1.0 C1B A:HEC201 3.1 23.1 1.0 C4B A:HEC201 3.1 23.7 1.0 C4C A:HEC201 3.1 22.4 1.0 CE1 A:HIS18 3.1 29.4 1.0 C1C A:HEC201 3.1 23.1 1.0 CD2 A:HIS18 3.1 29.9 1.0 CHD A:HEC201 3.4 21.4 1.0 CHA A:HEC201 3.4 21.5 1.0 CHB A:HEC201 3.4 22.7 1.0 CE A:MET80 3.4 36.1 1.0 CHC A:HEC201 3.5 23.2 1.0 CG A:MET80 3.5 34.8 1.0 C2D A:HEC201 4.2 21.0 1.0 C2A A:HEC201 4.2 21.4 1.0 C3D A:HEC201 4.2 19.9 1.0 C3A A:HEC201 4.2 22.0 1.0 ND1 A:HIS18 4.2 30.1 1.0 CG A:HIS18 4.3 30.6 1.0 C2B A:HEC201 4.3 23.9 1.0 C2C A:HEC201 4.3 22.9 1.0 CB A:MET80 4.3 35.6 1.0 C3C A:HEC201 4.3 22.7 1.0 C3B A:HEC201 4.3 24.5 1.0

Iron binding site 2 out of 4 in the Cytochrome C in Complex with Sulfonato-Calix[8]Arene, P31 Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Cytochrome C in Complex with Sulfonato-Calix[8]Arene, P31 Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:35.9 occ:1.00 FE B:HEC201 0.0 35.9 1.0 ND B:HEC201 1.9 37.5 1.0 NA B:HEC201 2.0 37.1 1.0 NC B:HEC201 2.1 38.1 1.0 NB B:HEC201 2.1 37.2 1.0 NE2 B:HIS18 2.1 39.3 1.0 SD B:MET80 2.6 29.2 1.0 C1D B:HEC201 2.9 37.1 1.0 C4D B:HEC201 2.9 37.1 1.0 C1A B:HEC201 3.0 36.7 1.0 C4A B:HEC201 3.0 37.3 1.0 CD2 B:HIS18 3.1 39.8 1.0 C1B B:HEC201 3.1 37.1 1.0 C4B B:HEC201 3.1 38.2 1.0 C4C B:HEC201 3.1 38.4 1.0 CE1 B:HIS18 3.1 39.9 1.0 C1C B:HEC201 3.1 38.0 1.0 CE B:MET80 3.4 30.5 1.0 CHA B:HEC201 3.4 37.1 1.0 CHD B:HEC201 3.4 38.2 1.0 CHB B:HEC201 3.4 36.7 1.0 CHC B:HEC201 3.5 37.8 1.0 CG B:MET80 3.6 31.9 1.0 C2D B:HEC201 4.2 37.2 1.0 C3D B:HEC201 4.2 37.0 1.0 ND1 B:HIS18 4.2 39.2 1.0 CG B:HIS18 4.2 40.6 1.0 C2A B:HEC201 4.2 35.9 1.0 C3A B:HEC201 4.2 37.0 1.0 C2B B:HEC201 4.3 37.0 1.0 C2C B:HEC201 4.3 38.9 1.0 C3C B:HEC201 4.3 39.3 1.0 C3B B:HEC201 4.3 37.8 1.0 CB B:MET80 4.4 33.2 1.0

Iron binding site 3 out of 4 in the Cytochrome C in Complex with Sulfonato-Calix[8]Arene, P31 Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Cytochrome C in Complex with Sulfonato-Calix[8]Arene, P31 Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:43.4 occ:1.00 FE C:HEC201 0.0 43.4 1.0 ND C:HEC201 1.9 43.1 1.0 NA C:HEC201 2.0 42.2 1.0 NC C:HEC201 2.1 43.4 1.0 NB C:HEC201 2.1 41.9 1.0 NE2 C:HIS18 2.1 45.7 1.0 SD C:MET80 2.6 59.0 1.0 C4D C:HEC201 2.9 43.0 1.0 C1D C:HEC201 2.9 43.1 1.0 C1A C:HEC201 3.0 42.7 1.0 C4A C:HEC201 3.0 41.9 1.0 C1B C:HEC201 3.1 41.7 1.0 CE1 C:HIS18 3.1 45.8 1.0 C4B C:HEC201 3.1 42.9 1.0 C4C C:HEC201 3.1 44.1 1.0 CD2 C:HIS18 3.1 46.3 1.0 C1C C:HEC201 3.1 43.1 1.0 CHA C:HEC201 3.4 42.9 1.0 CHD C:HEC201 3.4 43.5 1.0 CHB C:HEC201 3.4 41.4 1.0 CE C:MET80 3.5 60.7 1.0 CHC C:HEC201 3.5 42.5 1.0 CG C:MET80 3.6 58.2 1.0 ND1 C:HIS18 4.2 47.2 1.0 C2D C:HEC201 4.2 43.8 1.0 C3D C:HEC201 4.2 43.0 1.0 C2A C:HEC201 4.2 42.5 1.0 C3A C:HEC201 4.2 42.1 1.0 CG C:HIS18 4.2 47.1 1.0 C2C C:HEC201 4.3 42.7 1.0 C2B C:HEC201 4.3 42.5 1.0 C3C C:HEC201 4.3 43.6 1.0 C3B C:HEC201 4.4 42.4 1.0 CB C:MET80 4.4 58.5 1.0

Iron binding site 4 out of 4 in the Cytochrome C in Complex with Sulfonato-Calix[8]Arene, P31 Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Cytochrome C in Complex with Sulfonato-Calix[8]Arene, P31 Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:37.6 occ:1.00 FE D:HEC201 0.0 37.6 1.0 ND D:HEC201 1.9 36.3 1.0 NA D:HEC201 2.0 36.9 1.0 NC D:HEC201 2.1 37.1 1.0 NB D:HEC201 2.1 37.0 1.0 NE2 D:HIS18 2.1 52.7 1.0 SD D:MET80 2.6 26.5 1.0 C4D D:HEC201 2.9 36.7 1.0 C1D D:HEC201 2.9 36.7 1.0 C1A D:HEC201 3.0 37.3 1.0 C4A D:HEC201 3.0 36.8 1.0 C4B D:HEC201 3.1 37.8 1.0 CD2 D:HIS18 3.1 53.7 1.0 C1B D:HEC201 3.1 36.8 1.0 C4C D:HEC201 3.1 37.5 1.0 CE1 D:HIS18 3.1 52.8 1.0 C1C D:HEC201 3.1 38.0 1.0 CHA D:HEC201 3.4 37.3 1.0 CHD D:HEC201 3.4 37.1 1.0 CE D:MET80 3.4 27.1 1.0 CHB D:HEC201 3.4 36.8 1.0 CHC D:HEC201 3.5 37.7 1.0 CG D:MET80 3.6 28.2 1.0 C3D D:HEC201 4.2 36.0 1.0 C2D D:HEC201 4.2 37.0 1.0 ND1 D:HIS18 4.2 54.4 1.0 CG D:HIS18 4.2 54.4 1.0 C2A D:HEC201 4.2 38.0 1.0 C3A D:HEC201 4.2 37.0 1.0 C2B D:HEC201 4.3 37.5 1.0 C2C D:HEC201 4.3 37.5 1.0 C3C D:HEC201 4.3 38.3 1.0 C3B D:HEC201 4.3 38.1 1.0 CB D:MET80 4.4 29.2 1.0

M.L.Rennie, G.C.Fox, J.Perez, P.B.Crowley. Auto-Regulated Protein Assembly on A Supramolecular Scaffold. Angew. Chem. Int. Ed. Engl. V. 57 13764 2018.
ISSN: ESSN 1521-3773
PubMed: 30109907
DOI: 10.1002/ANIE.201807490