Iron in PDB 3zcf: Structure of Recombinant Human Cytochrome C

The structure of Structure of Recombinant Human Cytochrome C, PDB code: 3zcf was solved by B.S.Rajagopal, J.A.R.Worrall, M.A.Hough, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.90 / 1.65
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	36.545, 53.915, 58.723, 76.54, 88.57, 72.10
R / Rfree (%)	17.232 / 21.182

The binding sites of Iron atom in the Structure of Recombinant Human Cytochrome C (pdb code 3zcf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Structure of Recombinant Human Cytochrome C, PDB code: 3zcf:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Structure of Recombinant Human Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Recombinant Human Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe105 b:14.3 occ:1.00 FE A:HEC105 0.0 14.3 1.0 ND A:HEC105 1.9 13.2 1.0 NA A:HEC105 2.0 13.2 1.0 NE2 A:HIS18 2.0 15.6 1.0 NC A:HEC105 2.1 13.4 1.0 NB A:HEC105 2.1 12.8 1.0 SD A:MET80 2.3 14.9 1.0 C1D A:HEC105 2.9 12.9 1.0 CE1 A:HIS18 3.0 14.3 1.0 C4D A:HEC105 3.0 13.9 1.0 C4A A:HEC105 3.0 13.6 1.0 C4C A:HEC105 3.0 13.6 1.0 C1B A:HEC105 3.0 12.6 1.0 C1A A:HEC105 3.0 13.3 1.0 C4B A:HEC105 3.0 13.7 1.0 CD2 A:HIS18 3.1 14.8 1.0 C1C A:HEC105 3.1 14.5 1.0 CHD A:HEC105 3.4 13.1 1.0 CHB A:HEC105 3.4 13.1 1.0 CG A:MET80 3.4 14.7 1.0 CHA A:HEC105 3.4 12.7 1.0 CE A:MET80 3.4 13.9 1.0 CHC A:HEC105 3.5 13.9 1.0 ND1 A:HIS18 4.1 14.8 1.0 CG A:HIS18 4.2 15.1 1.0 C2D A:HEC105 4.2 13.4 1.0 CB A:MET80 4.2 15.4 1.0 C3A A:HEC105 4.2 13.7 1.0 C3D A:HEC105 4.2 13.3 1.0 C2A A:HEC105 4.2 14.8 1.0 C3C A:HEC105 4.3 12.8 1.0 C2C A:HEC105 4.3 13.3 1.0 C2B A:HEC105 4.3 14.0 1.0 C3B A:HEC105 4.3 13.5 1.0 OH A:TYR67 4.8 16.3 1.0

Iron binding site 2 out of 4 in the Structure of Recombinant Human Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Recombinant Human Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe105 b:14.4 occ:1.00 FE B:HEC105 0.0 14.4 1.0 ND B:HEC105 1.9 13.1 1.0 NA B:HEC105 2.0 13.8 1.0 NB B:HEC105 2.0 13.2 1.0 NC B:HEC105 2.1 13.8 1.0 NE2 B:HIS18 2.1 12.6 1.0 SD B:MET80 2.3 14.5 1.0 C1D B:HEC105 2.9 13.7 1.0 C4D B:HEC105 3.0 13.4 1.0 C1B B:HEC105 3.0 14.9 1.0 CE1 B:HIS18 3.0 13.1 1.0 C4A B:HEC105 3.0 13.2 1.0 C1A B:HEC105 3.0 13.7 1.0 C4B B:HEC105 3.0 13.6 1.0 C4C B:HEC105 3.0 14.2 1.0 CD2 B:HIS18 3.1 12.2 1.0 C1C B:HEC105 3.1 14.0 1.0 CE B:MET80 3.3 13.7 1.0 CHD B:HEC105 3.4 13.9 1.0 CG B:MET80 3.4 13.1 1.0 CHB B:HEC105 3.4 14.6 1.0 CHA B:HEC105 3.4 14.1 1.0 CHC B:HEC105 3.5 13.4 1.0 ND1 B:HIS18 4.1 12.9 1.0 C2D B:HEC105 4.2 13.1 1.0 C3D B:HEC105 4.2 13.6 1.0 CG B:HIS18 4.2 12.6 1.0 C2A B:HEC105 4.2 13.5 1.0 C3A B:HEC105 4.2 13.4 1.0 CB B:MET80 4.2 13.7 1.0 C2B B:HEC105 4.3 14.7 1.0 C3C B:HEC105 4.3 14.8 1.0 C3B B:HEC105 4.3 14.0 1.0 C2C B:HEC105 4.3 14.6 1.0 OH B:TYR67 4.9 17.5 1.0

Iron binding site 3 out of 4 in the Structure of Recombinant Human Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Recombinant Human Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe105 b:15.7 occ:1.00 FE C:HEC105 0.0 15.7 1.0 ND C:HEC105 1.9 16.0 1.0 NA C:HEC105 2.0 13.9 1.0 NC C:HEC105 2.1 14.3 1.0 NB C:HEC105 2.1 15.1 1.0 NE2 C:HIS18 2.1 16.2 1.0 SD C:MET80 2.2 13.5 1.0 C4D C:HEC105 2.9 16.7 1.0 C1D C:HEC105 2.9 16.8 1.0 CE1 C:HIS18 3.0 16.9 1.0 C4A C:HEC105 3.0 15.2 1.0 C4C C:HEC105 3.0 15.1 1.0 C1A C:HEC105 3.0 16.1 1.0 C1B C:HEC105 3.1 14.7 1.0 C4B C:HEC105 3.1 14.9 1.0 C1C C:HEC105 3.1 14.6 1.0 CD2 C:HIS18 3.2 15.8 1.0 CG C:MET80 3.4 15.0 1.0 CHD C:HEC105 3.4 15.1 1.0 CE C:MET80 3.4 13.4 1.0 CHA C:HEC105 3.4 16.6 1.0 CHB C:HEC105 3.4 14.2 1.0 CHC C:HEC105 3.4 13.3 1.0 ND1 C:HIS18 4.2 16.3 1.0 C2D C:HEC105 4.2 16.7 1.0 C3D C:HEC105 4.2 17.6 1.0 CB C:MET80 4.2 15.2 1.0 C3A C:HEC105 4.2 14.8 1.0 C2A C:HEC105 4.2 16.0 1.0 C3C C:HEC105 4.3 14.1 1.0 C2B C:HEC105 4.3 15.3 1.0 C2C C:HEC105 4.3 14.5 1.0 C3B C:HEC105 4.3 13.7 1.0 CG C:HIS18 4.3 16.6 1.0 OH C:TYR67 4.9 19.3 1.0

Iron binding site 4 out of 4 in the Structure of Recombinant Human Cytochrome C


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of Recombinant Human Cytochrome C within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe105 b:12.9 occ:1.00 FE D:HEC105 0.0 12.9 1.0 ND D:HEC105 1.9 12.5 1.0 NA D:HEC105 2.0 13.5 1.0 NE2 D:HIS18 2.0 15.2 1.0 NC D:HEC105 2.0 13.3 1.0 NB D:HEC105 2.1 11.5 1.0 SD D:MET80 2.3 13.1 1.0 C1D D:HEC105 2.9 13.4 1.0 CE1 D:HIS18 2.9 15.6 1.0 C4D D:HEC105 3.0 14.1 1.0 C1B D:HEC105 3.0 13.9 1.0 C4A D:HEC105 3.0 12.8 1.0 C4C D:HEC105 3.0 13.3 1.0 C4B D:HEC105 3.1 13.2 1.0 C1C D:HEC105 3.1 14.2 1.0 C1A D:HEC105 3.1 12.7 1.0 CD2 D:HIS18 3.1 15.3 1.0 CG D:MET80 3.3 12.2 1.0 CHD D:HEC105 3.4 12.9 1.0 CHB D:HEC105 3.4 13.3 1.0 CE D:MET80 3.4 12.7 1.0 CHA D:HEC105 3.5 13.5 1.0 CHC D:HEC105 3.5 13.2 1.0 ND1 D:HIS18 4.1 16.2 1.0 C2D D:HEC105 4.2 13.9 1.0 C3D D:HEC105 4.2 13.7 1.0 CG D:HIS18 4.2 15.3 1.0 CB D:MET80 4.2 12.9 1.0 C2B D:HEC105 4.2 13.4 1.0 C3A D:HEC105 4.3 12.5 1.0 C3C D:HEC105 4.3 14.6 1.0 C2C D:HEC105 4.3 14.0 1.0 C2A D:HEC105 4.3 13.7 1.0 C3B D:HEC105 4.3 13.7 1.0 OH D:TYR67 4.8 16.2 1.0

B.S.Rajagopal, A.N.Edzuma, M.A.Hough, K.L.I.M.Blundell, V.E.Kagan, A.A.Kapralov, L.A.Fraser, J.N.Butt, G.G.Silkstone, M.T.Wilson, D.A.Svistunenko, J.A.R.Worrall. The Hydrogen Peroxide Induced Radical Behaviour in Human Cytochrome C Phospholipid Complexes: Implications For the Enhanced Pro-Apoptotic Activity of the G41S Mutant Biochem.J. V. 456 441 2013.
ISSN: ISSN 0264-6021
PubMed: 24099549
DOI: 10.1042/BJ20130758