Iron in PDB 6n1o: Oxidized Rat Cytochrome C Mutant (S47E)

The structure of Oxidized Rat Cytochrome C Mutant (S47E), PDB code: 6n1o was solved by M.Huttemann, B.F.P.Edwards, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.04 / 1.55
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	34.705, 52.357, 61.819, 109.89, 92.66, 91.15
R / Rfree (%)	16.6 / 19.2

The binding sites of Iron atom in the Oxidized Rat Cytochrome C Mutant (S47E) (pdb code 6n1o). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Oxidized Rat Cytochrome C Mutant (S47E), PDB code: 6n1o:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Oxidized Rat Cytochrome C Mutant (S47E)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Oxidized Rat Cytochrome C Mutant (S47E) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:11.0 occ:1.00 FE A:HEC201 0.0 11.0 1.0 NE2 A:HIS18 2.0 9.9 1.0 NA A:HEC201 2.0 5.8 1.0 NC A:HEC201 2.0 5.8 1.0 ND A:HEC201 2.1 13.2 1.0 NB A:HEC201 2.1 12.8 1.0 SD A:MET80 2.2 11.7 1.0 CE1 A:HIS18 2.9 8.6 1.0 C4A A:HEC201 3.0 10.0 1.0 C4C A:HEC201 3.0 9.8 1.0 C1C A:HEC201 3.0 9.2 1.0 C1A A:HEC201 3.0 8.0 1.0 C4D A:HEC201 3.1 9.0 1.0 C1D A:HEC201 3.1 9.1 1.0 C1B A:HEC201 3.1 9.0 1.0 CD2 A:HIS18 3.1 12.7 1.0 C4B A:HEC201 3.1 9.5 1.0 CE A:MET80 3.3 18.3 1.0 CG A:MET80 3.3 12.2 1.0 CHD A:HEC201 3.4 10.2 1.0 CHB A:HEC201 3.4 9.9 1.0 CHA A:HEC201 3.4 10.3 1.0 CHC A:HEC201 3.4 8.6 1.0 ND1 A:HIS18 4.1 10.2 1.0 CG A:HIS18 4.1 9.8 1.0 CB A:MET80 4.2 11.6 1.0 C3C A:HEC201 4.3 14.6 1.0 C3A A:HEC201 4.3 11.2 1.0 C2A A:HEC201 4.3 11.0 1.0 C2C A:HEC201 4.3 10.6 1.0 C3D A:HEC201 4.3 10.2 1.0 C3B A:HEC201 4.3 9.1 1.0 C2D A:HEC201 4.3 13.7 1.0 C2B A:HEC201 4.4 9.1 1.0 OH A:TYR67 4.9 17.1 1.0

Iron binding site 2 out of 8 in the Oxidized Rat Cytochrome C Mutant (S47E)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Oxidized Rat Cytochrome C Mutant (S47E) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe204 b:33.8 occ:0.63 FE2 A:FC6204 0.0 33.8 0.6 C22 A:FC6204 1.8 30.8 0.6 C11 A:FC6204 1.8 37.6 0.6 C26 A:FC6204 1.8 40.1 0.6 C23 A:FC6204 1.8 37.9 0.6 C21 A:FC6204 1.8 58.4 0.6 C24 A:FC6204 1.8 49.1 0.6 N11 A:FC6204 3.0 21.9 0.6 N22 A:FC6204 3.0 29.6 0.6 N25 A:FC6204 3.0 39.2 0.6 N23 A:FC6204 3.0 49.5 0.6 N21 A:FC6204 3.0 38.1 0.6 N24 A:FC6204 3.0 33.4 0.6 NZ A:LYS25 4.9 45.5 1.0

Iron binding site 3 out of 8 in the Oxidized Rat Cytochrome C Mutant (S47E)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Oxidized Rat Cytochrome C Mutant (S47E) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:11.3 occ:1.00 FE B:HEC201 0.0 11.3 1.0 NE2 B:HIS18 1.9 10.7 1.0 NC B:HEC201 2.0 11.0 1.0 NA B:HEC201 2.0 13.3 1.0 ND B:HEC201 2.0 13.0 1.0 NB B:HEC201 2.0 13.3 1.0 SD B:MET80 2.3 11.9 1.0 CE1 B:HIS18 2.9 10.3 1.0 C1C B:HEC201 3.0 9.5 1.0 C4C B:HEC201 3.0 11.7 1.0 C1D B:HEC201 3.0 10.1 1.0 C1A B:HEC201 3.0 11.3 1.0 C1B B:HEC201 3.0 9.4 1.0 CD2 B:HIS18 3.1 13.1 1.0 C4D B:HEC201 3.1 11.6 1.0 C4B B:HEC201 3.1 8.7 1.0 C4A B:HEC201 3.1 13.9 1.0 CE B:MET80 3.3 14.6 1.0 CHD B:HEC201 3.4 8.5 1.0 CHC B:HEC201 3.4 11.2 1.0 CHA B:HEC201 3.4 9.8 1.0 CG B:MET80 3.4 10.8 1.0 CHB B:HEC201 3.4 13.5 1.0 ND1 B:HIS18 4.1 10.9 1.0 CB B:MET80 4.1 10.9 1.0 CG B:HIS18 4.1 10.4 1.0 C3C B:HEC201 4.3 15.0 1.0 C2C B:HEC201 4.3 11.7 1.0 C2D B:HEC201 4.3 12.7 1.0 C3B B:HEC201 4.3 11.4 1.0 C3D B:HEC201 4.3 9.6 1.0 C3A B:HEC201 4.3 13.5 1.0 C2A B:HEC201 4.3 13.3 1.0 C2B B:HEC201 4.4 9.6 1.0 OH B:TYR67 4.8 17.0 1.0

Iron binding site 4 out of 8 in the Oxidized Rat Cytochrome C Mutant (S47E)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Oxidized Rat Cytochrome C Mutant (S47E) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:19.9 occ:0.81 FE2 B:FC6202 0.0 19.9 0.8 C11 B:FC6202 1.8 17.5 0.8 C24 B:FC6202 1.8 19.0 0.8 C21 B:FC6202 1.8 32.5 0.8 C26 B:FC6202 1.8 12.6 0.8 C23 B:FC6202 1.8 22.2 0.8 C22 B:FC6202 1.8 23.0 0.8 N11 B:FC6202 3.0 24.6 0.8 N25 B:FC6202 3.0 18.4 0.8 N24 B:FC6202 3.0 22.6 0.8 N23 B:FC6202 3.0 24.4 0.8 N21 B:FC6202 3.0 22.3 0.8 N22 B:FC6202 3.0 27.7 0.8 N B:GLY89 4.6 25.2 1.0 CA B:GLY89 4.7 26.6 1.0 CB B:LYS87 4.9 24.5 1.0 CD B:LYS87 4.9 30.4 1.0

Iron binding site 5 out of 8 in the Oxidized Rat Cytochrome C Mutant (S47E)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Oxidized Rat Cytochrome C Mutant (S47E) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe203 b:30.3 occ:0.62 FE2 B:FC6203 0.0 30.3 0.6 C21 B:FC6203 1.8 21.1 0.6 C23 B:FC6203 1.8 26.7 0.6 C26 B:FC6203 1.8 40.9 0.6 C22 B:FC6203 1.8 35.3 0.6 C11 B:FC6203 1.8 31.4 0.6 C24 B:FC6203 1.8 27.5 0.6 N25 B:FC6203 3.0 39.3 0.6 N21 B:FC6203 3.0 41.7 0.6 N23 B:FC6203 3.0 44.9 0.6 N22 B:FC6203 3.0 43.6 0.6 N11 B:FC6203 3.0 37.8 0.6 N24 B:FC6203 3.0 48.6 0.6 CD B:LYS86 4.4 65.8 1.0 NZ C:LYS86 4.5 72.3 1.0 CE C:LYS87 4.6 36.4 1.0 NZ C:LYS87 4.7 58.5 1.0 NZ B:LYS87 4.7 49.6 1.0 CE C:LYS86 4.7 42.9 1.0 NZ B:LYS86 4.8 91.2 1.0 CE B:LYS87 4.9 37.2 1.0

Iron binding site 6 out of 8 in the Oxidized Rat Cytochrome C Mutant (S47E)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Oxidized Rat Cytochrome C Mutant (S47E) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:12.2 occ:1.00 FE C:HEC201 0.0 12.2 1.0 NE2 C:HIS18 2.0 9.3 1.0 NC C:HEC201 2.0 10.5 1.0 ND C:HEC201 2.0 11.7 1.0 NB C:HEC201 2.1 15.1 1.0 NA C:HEC201 2.1 12.2 1.0 SD C:MET80 2.3 11.7 1.0 CE1 C:HIS18 2.9 12.6 1.0 C1A C:HEC201 3.0 9.7 1.0 C1C C:HEC201 3.0 9.6 1.0 C1B C:HEC201 3.0 10.3 1.0 C4A C:HEC201 3.1 11.2 1.0 C4C C:HEC201 3.1 10.4 1.0 C1D C:HEC201 3.1 10.6 1.0 C4B C:HEC201 3.1 12.9 1.0 C4D C:HEC201 3.1 11.4 1.0 CD2 C:HIS18 3.1 13.0 1.0 CE C:MET80 3.3 13.1 1.0 CHC C:HEC201 3.4 11.4 1.0 CHD C:HEC201 3.4 10.5 1.0 CHA C:HEC201 3.4 12.2 1.0 CHB C:HEC201 3.4 12.3 1.0 CG C:MET80 3.4 12.6 1.0 ND1 C:HIS18 4.0 14.2 1.0 CG C:HIS18 4.1 13.1 1.0 CB C:MET80 4.2 11.0 1.0 C2A C:HEC201 4.3 11.9 1.0 C3C C:HEC201 4.3 15.6 1.0 C3A C:HEC201 4.3 14.4 1.0 C2C C:HEC201 4.3 12.7 1.0 C3B C:HEC201 4.3 13.7 1.0 C2B C:HEC201 4.4 12.2 1.0 C2D C:HEC201 4.4 10.9 1.0 C3D C:HEC201 4.4 10.5 1.0 OH C:TYR67 4.8 17.5 1.0

Iron binding site 7 out of 8 in the Oxidized Rat Cytochrome C Mutant (S47E)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Oxidized Rat Cytochrome C Mutant (S47E) within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe202 b:17.9 occ:0.90 FE2 C:FC6202 0.0 17.9 0.9 C11 C:FC6202 1.8 16.9 0.9 C24 C:FC6202 1.8 17.0 0.9 C23 C:FC6202 1.8 22.5 0.9 C21 C:FC6202 1.8 24.4 0.9 C26 C:FC6202 1.8 18.0 0.9 C22 C:FC6202 1.8 20.2 0.9 N24 C:FC6202 3.0 17.3 0.9 N23 C:FC6202 3.0 16.8 0.9 N11 C:FC6202 3.0 19.1 0.9 N21 C:FC6202 3.0 23.9 0.9 N25 C:FC6202 3.0 18.4 0.9 N22 C:FC6202 3.0 22.4 0.9 N C:LYS88 4.6 19.7 1.0 CB C:LYS88 4.8 23.9 1.0

Iron binding site 8 out of 8 in the Oxidized Rat Cytochrome C Mutant (S47E)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Oxidized Rat Cytochrome C Mutant (S47E) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:13.4 occ:1.00 FE D:HEC201 0.0 13.4 1.0 NE2 D:HIS18 2.0 12.2 1.0 NA D:HEC201 2.0 6.7 1.0 NC D:HEC201 2.0 7.8 1.0 NB D:HEC201 2.0 17.1 1.0 ND D:HEC201 2.1 14.3 1.0 SD D:MET80 2.3 13.7 1.0 CE1 D:HIS18 2.9 13.7 1.0 C4A D:HEC201 3.0 12.3 1.0 C1A D:HEC201 3.0 10.5 1.0 C1C D:HEC201 3.0 10.4 1.0 C4C D:HEC201 3.0 12.4 1.0 C1B D:HEC201 3.0 12.6 1.0 C4B D:HEC201 3.1 10.3 1.0 C1D D:HEC201 3.1 12.4 1.0 C4D D:HEC201 3.1 11.2 1.0 CD2 D:HIS18 3.1 16.8 1.0 CE D:MET80 3.3 13.5 1.0 CG D:MET80 3.4 15.9 1.0 CHB D:HEC201 3.4 12.5 1.0 CHD D:HEC201 3.4 12.8 1.0 CHC D:HEC201 3.4 11.3 1.0 CHA D:HEC201 3.4 11.3 1.0 ND1 D:HIS18 4.1 13.7 1.0 CG D:HIS18 4.2 16.2 1.0 CB D:MET80 4.2 11.2 1.0 C3A D:HEC201 4.3 12.8 1.0 C2A D:HEC201 4.3 14.0 1.0 C3C D:HEC201 4.3 16.4 1.0 C2C D:HEC201 4.3 13.4 1.0 C3B D:HEC201 4.4 13.2 1.0 C2B D:HEC201 4.4 12.1 1.0 C2D D:HEC201 4.4 15.4 1.0 C3D D:HEC201 4.4 13.4 1.0 OH D:TYR67 4.9 19.0 1.0

H.A.Kalpage, A.Vaishnav, J.Liu, A.Varughese, J.Wan, A.A.Turner, Q.Ji, M.P.Zurek, A.A.Kapralov, V.E.Kagan, J.S.Brunzelle, M.A.Recanati, L.I.Grossman, T.H.Sanderson, I.Lee, A.R.Salomon, B.F.P.Edwards, M.Huttemann. Serine-47 Phosphorylation of Cytochromecin the Mammalian Brain Regulates Cytochromecoxidase and Caspase-3 Activity. Faseb J. 1120R 2019.
ISSN: ESSN 1530-6860
PubMed: 31570002
DOI: 10.1096/FJ.201901120R