Iron in PDB 6ee7: Small Tetraheme Cytochrome C From Shewanella Oneidensis

The structure of Small Tetraheme Cytochrome C From Shewanella Oneidensis, PDB code: 6ee7 was solved by J.Huang, J.Zarzycki, D.C.Ducat, D.M.Kramer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.92 / 1.39
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	24.595, 63.856, 28.979, 90.00, 97.21, 90.00
R / Rfree (%)	16.4 / 18.3

The structure of Small Tetraheme Cytochrome C From Shewanella Oneidensis also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Iron atom in the Small Tetraheme Cytochrome C From Shewanella Oneidensis (pdb code 6ee7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Small Tetraheme Cytochrome C From Shewanella Oneidensis, PDB code: 6ee7:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Small Tetraheme Cytochrome C From Shewanella Oneidensis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Small Tetraheme Cytochrome C From Shewanella Oneidensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:11.4 occ:1.00 FE A:HEM801 0.0 11.4 1.0 ND A:HEM801 2.0 10.5 1.0 NA A:HEM801 2.0 11.3 1.0 NC A:HEM801 2.1 10.7 1.0 NE2 A:HIS19 2.1 10.2 1.0 NE2 A:HIS65 2.1 13.1 1.0 NB A:HEM801 2.1 11.0 1.0 C4D A:HEM801 2.9 12.3 1.0 C1D A:HEM801 3.0 10.2 1.0 C1B A:HEM801 3.0 14.6 1.0 C4B A:HEM801 3.0 11.1 1.0 CE1 A:HIS65 3.0 13.8 1.0 C4A A:HEM801 3.0 12.1 1.0 CE1 A:HIS19 3.0 11.5 1.0 CD2 A:HIS19 3.1 10.8 1.0 C4C A:HEM801 3.1 11.0 1.0 C1A A:HEM801 3.1 10.7 1.0 CD2 A:HIS65 3.1 12.8 1.0 C1C A:HEM801 3.1 11.0 1.0 CHB A:HEM801 3.4 14.7 1.0 CHD A:HEM801 3.4 11.6 1.0 CHA A:HEM801 3.4 10.9 1.0 CHC A:HEM801 3.4 10.4 1.0 ND1 A:HIS65 4.1 14.5 1.0 ND1 A:HIS19 4.1 11.0 1.0 CG A:HIS19 4.2 11.1 1.0 CG A:HIS65 4.2 14.5 1.0 C3A A:HEM801 4.2 12.4 1.0 C2B A:HEM801 4.2 12.6 1.0 C3D A:HEM801 4.2 10.7 1.0 C2D A:HEM801 4.2 12.7 1.0 C3B A:HEM801 4.2 9.8 1.0 C2A A:HEM801 4.2 12.5 1.0 C2C A:HEM801 4.3 14.2 1.0 C3C A:HEM801 4.3 12.6 1.0

Iron binding site 2 out of 4 in the Small Tetraheme Cytochrome C From Shewanella Oneidensis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Small Tetraheme Cytochrome C From Shewanella Oneidensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe802 b:10.7 occ:1.00 FE A:HEM802 0.0 10.7 1.0 ND A:HEM802 2.0 9.8 1.0 NA A:HEM802 2.0 10.1 1.0 NE2 A:HIS39 2.1 9.9 1.0 NC A:HEM802 2.1 10.8 1.0 NB A:HEM802 2.1 9.6 1.0 NE2 A:HIS9 2.1 9.7 1.0 C4D A:HEM802 2.9 13.4 1.0 C1D A:HEM802 3.0 12.5 1.0 CE1 A:HIS39 3.0 9.9 1.0 C1A A:HEM802 3.0 12.3 1.0 C4B A:HEM802 3.0 10.9 1.0 C4C A:HEM802 3.1 9.8 1.0 CD2 A:HIS9 3.1 8.8 1.0 C1B A:HEM802 3.1 11.3 1.0 C4A A:HEM802 3.1 10.3 1.0 CD2 A:HIS39 3.1 8.9 1.0 C1C A:HEM802 3.1 8.4 1.0 CE1 A:HIS9 3.1 12.7 1.0 CHA A:HEM802 3.3 11.6 1.0 CHD A:HEM802 3.4 10.8 1.0 CHC A:HEM802 3.4 10.1 1.0 CHB A:HEM802 3.4 9.0 1.0 ND1 A:HIS39 4.1 9.3 1.0 C2D A:HEM802 4.2 12.9 1.0 C3D A:HEM802 4.2 13.3 1.0 CG A:HIS39 4.2 9.0 1.0 ND1 A:HIS9 4.2 11.1 1.0 CG A:HIS9 4.2 9.0 1.0 C2A A:HEM802 4.2 11.7 1.0 C3A A:HEM802 4.3 12.9 1.0 C3C A:HEM802 4.3 11.6 1.0 C2B A:HEM802 4.3 11.4 1.0 C3B A:HEM802 4.3 10.7 1.0 C2C A:HEM802 4.3 11.5 1.0

Iron binding site 3 out of 4 in the Small Tetraheme Cytochrome C From Shewanella Oneidensis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Small Tetraheme Cytochrome C From Shewanella Oneidensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe803 b:10.8 occ:1.00 FE A:HEM803 0.0 10.8 1.0 ND A:HEM803 2.0 9.7 1.0 NE2 A:HIS62 2.0 10.7 1.0 NA A:HEM803 2.1 12.6 1.0 NB A:HEM803 2.1 10.1 1.0 NC A:HEM803 2.1 11.1 1.0 NE2 A:HIS49 2.2 11.8 1.0 C4D A:HEM803 3.0 12.4 1.0 C1D A:HEM803 3.0 11.1 1.0 CE1 A:HIS62 3.0 9.9 1.0 CD2 A:HIS62 3.0 10.5 1.0 C1A A:HEM803 3.0 14.2 1.0 C4C A:HEM803 3.0 10.1 1.0 C4B A:HEM803 3.1 12.2 1.0 C4A A:HEM803 3.1 11.2 1.0 C1C A:HEM803 3.1 11.5 1.0 C1B A:HEM803 3.1 8.6 1.0 CD2 A:HIS49 3.1 10.4 1.0 CE1 A:HIS49 3.2 12.0 1.0 CHA A:HEM803 3.4 11.7 1.0 CHD A:HEM803 3.4 11.1 1.0 CHC A:HEM803 3.4 10.9 1.0 CHB A:HEM803 3.4 10.5 1.0 ND1 A:HIS62 4.1 9.5 1.0 CG A:HIS62 4.2 10.0 1.0 C2A A:HEM803 4.2 13.3 1.0 C3D A:HEM803 4.2 14.8 1.0 C3C A:HEM803 4.2 12.6 1.0 C3A A:HEM803 4.2 12.8 1.0 C2D A:HEM803 4.2 11.1 1.0 C2C A:HEM803 4.2 11.3 1.0 ND1 A:HIS49 4.3 11.4 1.0 C2B A:HEM803 4.3 10.8 1.0 CG A:HIS49 4.3 10.0 1.0 C3B A:HEM803 4.3 12.3 1.0 O A:HOH1003 4.7 31.2 1.0

Iron binding site 4 out of 4 in the Small Tetraheme Cytochrome C From Shewanella Oneidensis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Small Tetraheme Cytochrome C From Shewanella Oneidensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe804 b:11.2 occ:1.00 FE A:HEM804 0.0 11.2 1.0 ND A:HEM804 2.0 10.3 1.0 NE2 A:HIS79 2.0 14.0 1.0 NA A:HEM804 2.1 11.1 1.0 NB A:HEM804 2.1 8.1 1.0 NC A:HEM804 2.1 10.4 1.0 NE2 A:HIS52 2.1 11.2 1.0 C4D A:HEM804 2.9 11.3 1.0 C1D A:HEM804 3.0 9.4 1.0 CE1 A:HIS79 3.0 12.7 1.0 C1A A:HEM804 3.0 10.5 1.0 C4C A:HEM804 3.0 10.2 1.0 C4B A:HEM804 3.0 10.1 1.0 C1B A:HEM804 3.1 11.4 1.0 C4A A:HEM804 3.1 13.3 1.0 C1C A:HEM804 3.1 10.0 1.0 CD2 A:HIS79 3.1 12.2 1.0 CE1 A:HIS52 3.1 12.3 1.0 CD2 A:HIS52 3.1 11.0 1.0 CHA A:HEM804 3.3 12.7 1.0 CHD A:HEM804 3.4 10.4 1.0 CHC A:HEM804 3.4 10.6 1.0 CHB A:HEM804 3.4 12.8 1.0 ND1 A:HIS79 4.1 13.7 1.0 ND1 A:HIS52 4.2 12.4 1.0 C3D A:HEM804 4.2 13.8 1.0 C2D A:HEM804 4.2 13.2 1.0 CG A:HIS79 4.2 13.2 1.0 CG A:HIS52 4.2 9.8 1.0 C3C A:HEM804 4.2 13.7 1.0 C2C A:HEM804 4.2 10.7 1.0 C3A A:HEM804 4.2 11.1 1.0 C2B A:HEM804 4.2 12.0 1.0 C2A A:HEM804 4.3 11.3 1.0 C3B A:HEM804 4.3 11.3 1.0 NH1 A:ARG83 4.6 12.6 1.0 CBC A:HEM803 4.8 12.0 1.0

J.Huang, J.Zarzycki, M.R.Gunner, J.Kern, J.Yano, D.C.Ducat, D.M.Kramer. Solid-State, Mesoscopic, Electron Transfer By Site Hopping in A Crystalline Network of Cytochroms To Be Published.