Iron in PDB 6y0j: Cytochrome C in Complex with Phosphonato-Calix[6]Arene and Sulfonato- Calix[8]Arene

The structure of Cytochrome C in Complex with Phosphonato-Calix[6]Arene and Sulfonato- Calix[8]Arene, PDB code: 6y0j was solved by S.Engilberge, M.L.Rennie, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.31 / 2.70
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	67.573, 67.573, 373.866, 90, 90, 120
R / Rfree (%)	24.5 / 26.9

The binding sites of Iron atom in the Cytochrome C in Complex with Phosphonato-Calix[6]Arene and Sulfonato- Calix[8]Arene (pdb code 6y0j). 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 Phosphonato-Calix[6]Arene and Sulfonato- Calix[8]Arene, PDB code: 6y0j:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Cytochrome C in Complex with Phosphonato-Calix[6]Arene and Sulfonato- Calix[8]Arene


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 Phosphonato-Calix[6]Arene and Sulfonato- Calix[8]Arene within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:42.1 occ:1.00 FE A:HEC201 0.0 42.1 1.0 NA A:HEC201 1.9 41.8 1.0 ND A:HEC201 1.9 42.7 1.0 NC A:HEC201 1.9 42.9 1.0 NB A:HEC201 2.0 41.7 1.0 SD A:MET80 2.3 50.0 1.0 NE2 A:HIS18 2.4 39.3 1.0 C1D A:HEC201 2.9 43.7 1.0 C4D A:HEC201 3.0 42.9 1.0 C4A A:HEC201 3.0 41.6 1.0 C1C A:HEC201 3.0 43.1 1.0 C4B A:HEC201 3.0 42.3 1.0 C1A A:HEC201 3.0 42.0 1.0 C4C A:HEC201 3.0 43.8 1.0 C1B A:HEC201 3.0 41.7 1.0 CE1 A:HIS18 3.3 39.1 1.0 CD2 A:HIS18 3.4 39.8 1.0 CHA A:HEC201 3.4 42.7 1.0 CHD A:HEC201 3.4 44.5 1.0 CHB A:HEC201 3.4 41.8 1.0 CE A:MET80 3.4 48.6 1.0 CHC A:HEC201 3.4 43.2 1.0 CG A:MET80 3.4 48.3 1.0 C3A A:HEC201 4.2 41.9 1.0 C2A A:HEC201 4.2 42.1 1.0 C2C A:HEC201 4.2 44.4 1.0 CB A:MET80 4.2 46.1 1.0 C2D A:HEC201 4.2 44.5 1.0 C3D A:HEC201 4.2 44.0 1.0 C3C A:HEC201 4.2 44.8 1.0 C2B A:HEC201 4.3 42.0 1.0 C3B A:HEC201 4.3 42.6 1.0 ND1 A:HIS18 4.4 39.9 1.0 CG A:HIS18 4.4 39.2 1.0 OH A:TYR67 4.6 52.4 1.0

Iron binding site 2 out of 4 in the Cytochrome C in Complex with Phosphonato-Calix[6]Arene and Sulfonato- Calix[8]Arene


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 Phosphonato-Calix[6]Arene and Sulfonato- Calix[8]Arene within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:46.8 occ:1.00 FE B:HEC201 0.0 46.8 1.0 NB B:HEC201 1.9 45.3 1.0 NA B:HEC201 1.9 46.2 1.0 NC B:HEC201 1.9 47.5 1.0 ND B:HEC201 2.0 48.2 1.0 NE2 B:HIS18 2.0 48.9 1.0 SD B:MET80 2.8 48.7 1.0 C4B B:HEC201 2.9 45.6 1.0 C1B B:HEC201 3.0 44.8 1.0 C1D B:HEC201 3.0 49.5 1.0 CD2 B:HIS18 3.0 49.2 1.0 C1C B:HEC201 3.0 47.1 1.0 CE1 B:HIS18 3.0 49.1 1.0 C4C B:HEC201 3.0 48.8 1.0 C4A B:HEC201 3.0 45.4 1.0 C4D B:HEC201 3.0 48.7 1.0 C1A B:HEC201 3.0 46.9 1.0 CHC B:HEC201 3.4 46.7 1.0 CHB B:HEC201 3.4 44.9 1.0 CHD B:HEC201 3.4 50.1 1.0 CHA B:HEC201 3.4 48.2 1.0 CE B:MET80 3.6 46.4 1.0 CG B:MET80 3.8 47.8 1.0 CG B:HIS18 4.1 48.9 1.0 ND1 B:HIS18 4.1 49.8 1.0 C2C B:HEC201 4.2 48.5 1.0 C2B B:HEC201 4.2 44.5 1.0 C3A B:HEC201 4.2 46.0 1.0 C2A B:HEC201 4.2 46.8 1.0 C3B B:HEC201 4.2 45.1 1.0 C3C B:HEC201 4.2 49.5 1.0 C2D B:HEC201 4.2 51.0 1.0 C3D B:HEC201 4.3 50.5 1.0 CB B:MET80 4.7 46.9 1.0

Iron binding site 3 out of 4 in the Cytochrome C in Complex with Phosphonato-Calix[6]Arene and Sulfonato- Calix[8]Arene


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 Phosphonato-Calix[6]Arene and Sulfonato- Calix[8]Arene within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:52.8 occ:1.00 FE C:HEC201 0.0 52.8 1.0 NB C:HEC201 1.9 52.3 1.0 NA C:HEC201 1.9 52.0 1.0 NC C:HEC201 1.9 54.3 1.0 ND C:HEC201 2.0 53.6 1.0 NE2 C:HIS18 2.1 55.3 1.0 SD C:MET80 2.7 61.9 1.0 CE1 C:HIS18 2.9 54.6 1.0 C4B C:HEC201 2.9 53.0 1.0 C1B C:HEC201 3.0 52.0 1.0 C1C C:HEC201 3.0 54.7 1.0 C1D C:HEC201 3.0 55.0 1.0 C4C C:HEC201 3.0 55.8 1.0 C4A C:HEC201 3.0 51.6 1.0 C1A C:HEC201 3.0 51.9 1.0 C4D C:HEC201 3.0 53.3 1.0 CD2 C:HIS18 3.2 55.7 1.0 CHC C:HEC201 3.3 54.4 1.0 CHB C:HEC201 3.4 52.0 1.0 CHD C:HEC201 3.4 56.5 1.0 CHA C:HEC201 3.4 52.6 1.0 CE C:MET80 3.8 60.6 1.0 CG C:MET80 3.8 61.1 1.0 ND1 C:HIS18 4.1 55.0 1.0 C2C C:HEC201 4.2 56.5 1.0 C3C C:HEC201 4.2 57.3 1.0 C3A C:HEC201 4.2 51.6 1.0 C2B C:HEC201 4.2 52.3 1.0 CG C:HIS18 4.2 54.3 1.0 C2A C:HEC201 4.2 51.6 1.0 C3B C:HEC201 4.2 53.0 1.0 C2D C:HEC201 4.3 55.8 1.0 C3D C:HEC201 4.3 54.6 1.0 CB C:MET80 4.6 59.2 1.0 OH C:TYR67 4.9 62.7 1.0

Iron binding site 4 out of 4 in the Cytochrome C in Complex with Phosphonato-Calix[6]Arene and Sulfonato- Calix[8]Arene


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 Phosphonato-Calix[6]Arene and Sulfonato- Calix[8]Arene within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:52.9 occ:1.00 FE D:HEC201 0.0 52.9 1.0 NA D:HEC201 1.9 51.6 1.0 NB D:HEC201 1.9 51.2 1.0 ND D:HEC201 2.0 55.2 1.0 NC D:HEC201 2.0 55.2 1.0 NE2 D:HIS18 2.0 54.8 1.0 CE1 D:HIS18 2.8 54.5 1.0 C4B D:HEC201 2.9 52.4 1.0 C1B D:HEC201 3.0 50.3 1.0 C4A D:HEC201 3.0 50.3 1.0 C4D D:HEC201 3.0 55.9 1.0 C1D D:HEC201 3.0 57.9 1.0 C1A D:HEC201 3.0 52.6 1.0 C1C D:HEC201 3.0 55.6 1.0 C4C D:HEC201 3.0 57.8 1.0 CD2 D:HIS18 3.0 55.3 1.0 SD D:MET80 3.1 53.1 1.0 CHB D:HEC201 3.4 50.1 1.0 CHC D:HEC201 3.4 55.0 1.0 CHA D:HEC201 3.4 55.0 1.0 CHD D:HEC201 3.4 59.5 1.0 CE D:MET80 3.6 49.1 1.0 ND1 D:HIS18 4.0 55.5 1.0 CG D:MET80 4.1 52.4 1.0 CG D:HIS18 4.1 54.0 1.0 C3A D:HEC201 4.2 51.0 1.0 C2A D:HEC201 4.2 52.4 1.0 C2C D:HEC201 4.2 58.9 1.0 C2B D:HEC201 4.2 50.5 1.0 C3B D:HEC201 4.2 52.1 1.0 C3C D:HEC201 4.2 60.1 1.0 C2D D:HEC201 4.3 60.3 1.0 C3D D:HEC201 4.3 59.2 1.0 CB D:MET80 4.9 51.1 1.0

S.Engilberge, M.L.Rennie, P.B.Crowley. Cytochrome C in Complex with Phosphonato-Calix[6]Arene and Sulfonato-Calix[8]Arene To Be Published.