Iron in PDB 1m1r: Reduced P222 Crystal Structure of the Tetraheme Cytochrome C of Shewanella Oneidensis MR1

The structure of Reduced P222 Crystal Structure of the Tetraheme Cytochrome C of Shewanella Oneidensis MR1, PDB code: 1m1r was solved by D.Leys, T.E.Meyer, A.I.Tsapin, K.H.Nealson, M.A.Cusanovich, J.J.Van Beeumen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.02
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.882, 48.107, 58.234, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 16.5

The binding sites of Iron atom in the Reduced P222 Crystal Structure of the Tetraheme Cytochrome C of Shewanella Oneidensis MR1 (pdb code 1m1r). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Reduced P222 Crystal Structure of the Tetraheme Cytochrome C of Shewanella Oneidensis MR1, PDB code: 1m1r:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Reduced P222 Crystal Structure of the Tetraheme Cytochrome C of Shewanella Oneidensis MR1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Reduced P222 Crystal Structure of the Tetraheme Cytochrome C of Shewanella Oneidensis MR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:7.5 occ:1.00 FE A:HEM801 0.0 7.5 1.0 NE2 A:HIS19 2.0 7.8 1.0 NE2 A:HIS65 2.0 7.8 1.0 NC A:HEM801 2.0 7.3 1.0 ND A:HEM801 2.0 8.1 1.0 NB A:HEM801 2.0 7.5 1.0 NA A:HEM801 2.0 7.7 1.0 CE1 A:HIS65 2.9 8.5 1.0 CE1 A:HIS19 3.0 8.2 1.0 C4A A:HEM801 3.0 7.3 1.0 C4C A:HEM801 3.0 7.2 1.0 C1D A:HEM801 3.0 8.0 0.4 CD2 A:HIS19 3.0 8.1 1.0 C1C A:HEM801 3.0 7.6 1.0 C1A A:HEM801 3.0 8.8 1.0 C4D A:HEM801 3.0 9.5 0.4 C1B A:HEM801 3.0 7.5 1.0 C4D A:HEM801 3.0 9.3 0.6 C4B A:HEM801 3.0 7.7 1.0 CD2 A:HIS65 3.0 9.4 1.0 C1D A:HEM801 3.1 7.9 0.6 CHD A:HEM801 3.4 7.4 1.0 CHA A:HEM801 3.4 9.9 1.0 CHB A:HEM801 3.4 7.8 1.0 CHC A:HEM801 3.4 7.8 1.0 ND1 A:HIS65 4.1 9.2 1.0 ND1 A:HIS19 4.1 8.0 1.0 CG A:HIS65 4.2 9.6 1.0 CG A:HIS19 4.2 8.2 1.0 C3A A:HEM801 4.2 8.2 1.0 C2D A:HEM801 4.2 8.8 0.4 C2A A:HEM801 4.2 8.6 1.0 C3D A:HEM801 4.2 10.6 0.4 C3C A:HEM801 4.3 7.1 1.0 C2D A:HEM801 4.3 7.6 0.6 C2C A:HEM801 4.3 7.5 1.0 C2B A:HEM801 4.3 8.4 1.0 C3D A:HEM801 4.3 7.5 0.6 C3B A:HEM801 4.3 7.7 1.0

Iron binding site 2 out of 4 in the Reduced P222 Crystal Structure of the Tetraheme Cytochrome C of Shewanella Oneidensis MR1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Reduced P222 Crystal Structure of the Tetraheme Cytochrome C of Shewanella Oneidensis MR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe804 b:7.8 occ:1.00 FE A:HEM804 0.0 7.8 1.0 NC A:HEM804 2.0 7.3 1.0 NB A:HEM804 2.0 7.5 1.0 ND A:HEM804 2.0 8.6 1.0 NE2 A:HIS79 2.0 7.8 1.0 NA A:HEM804 2.0 8.9 1.0 NE2 A:HIS52 2.0 7.5 1.0 CE1 A:HIS79 3.0 9.1 1.0 CE1 A:HIS52 3.0 7.2 1.0 C4D A:HEM804 3.0 9.6 1.0 C1A A:HEM804 3.0 9.7 1.0 C1D A:HEM804 3.0 8.8 1.0 C1C A:HEM804 3.0 7.4 1.0 C4C A:HEM804 3.0 7.5 1.0 C1B A:HEM804 3.0 8.7 1.0 C4B A:HEM804 3.0 7.4 1.0 C4A A:HEM804 3.0 9.8 1.0 CD2 A:HIS79 3.1 7.9 1.0 CD2 A:HIS52 3.1 7.4 1.0 CHA A:HEM804 3.4 10.3 1.0 CHC A:HEM804 3.4 7.5 1.0 CHD A:HEM804 3.4 8.9 1.0 CHB A:HEM804 3.4 9.3 1.0 ND1 A:HIS52 4.1 7.7 1.0 ND1 A:HIS79 4.1 9.3 1.0 CG A:HIS52 4.2 7.5 1.0 CG A:HIS79 4.2 8.6 1.0 C3D A:HEM804 4.2 11.1 1.0 C2A A:HEM804 4.3 11.4 1.0 C2D A:HEM804 4.3 10.4 1.0 C2C A:HEM804 4.3 7.5 1.0 C3B A:HEM804 4.3 7.9 1.0 C3C A:HEM804 4.3 7.7 1.0 C3A A:HEM804 4.3 10.8 1.0 C2B A:HEM804 4.3 8.4 1.0 NH1 A:ARG83 4.6 12.7 1.0 CBC A:HEM803 4.8 8.1 1.0

Iron binding site 3 out of 4 in the Reduced P222 Crystal Structure of the Tetraheme Cytochrome C of Shewanella Oneidensis MR1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Reduced P222 Crystal Structure of the Tetraheme Cytochrome C of Shewanella Oneidensis MR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe802 b:7.0 occ:1.00 FE A:HEM802 0.0 7.0 1.0 ND A:HEM802 1.9 7.3 1.0 NB A:HEM802 2.0 6.9 1.0 NE2 A:HIS39 2.0 7.1 1.0 NC A:HEM802 2.0 6.6 1.0 NA A:HEM802 2.0 6.9 1.0 NE2 A:HIS9 2.0 7.5 1.0 CE1 A:HIS39 3.0 8.0 1.0 CE1 A:HIS9 3.0 7.9 1.0 C1C A:HEM802 3.0 6.8 1.0 C4B A:HEM802 3.0 6.6 1.0 C1D A:HEM802 3.0 7.8 1.0 C1A A:HEM802 3.0 7.1 1.0 C1B A:HEM802 3.0 7.3 1.0 C4C A:HEM802 3.0 7.3 1.0 C4D A:HEM802 3.0 7.0 1.0 C4A A:HEM802 3.0 7.0 1.0 CD2 A:HIS39 3.0 7.1 1.0 CD2 A:HIS9 3.0 7.6 1.0 CHD A:HEM802 3.4 8.4 1.0 CHC A:HEM802 3.4 6.7 1.0 CHB A:HEM802 3.4 7.0 1.0 CHA A:HEM802 3.4 7.4 1.0 ND1 A:HIS39 4.1 7.8 1.0 ND1 A:HIS9 4.1 8.7 1.0 CG A:HIS9 4.2 7.8 1.0 CG A:HIS39 4.2 7.3 1.0 C2D A:HEM802 4.2 8.4 1.0 C3D A:HEM802 4.2 7.5 1.0 C2B A:HEM802 4.2 6.7 1.0 C3C A:HEM802 4.3 7.6 1.0 C3B A:HEM802 4.3 6.5 1.0 C2C A:HEM802 4.3 7.3 1.0 C3A A:HEM802 4.3 7.5 1.0 C2A A:HEM802 4.3 7.3 1.0 O A:HOH1033 5.0 18.3 1.0

Iron binding site 4 out of 4 in the Reduced P222 Crystal Structure of the Tetraheme Cytochrome C of Shewanella Oneidensis MR1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Reduced P222 Crystal Structure of the Tetraheme Cytochrome C of Shewanella Oneidensis MR1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe803 b:7.5 occ:1.00 FE A:HEM803 0.0 7.5 1.0 NC A:HEM803 2.0 7.2 1.0 NB A:HEM803 2.0 7.1 1.0 ND A:HEM803 2.0 7.4 1.0 NA A:HEM803 2.0 7.8 1.0 NE2 A:HIS62 2.0 7.7 1.0 NE2 A:HIS49 2.0 7.8 1.0 CE1 A:HIS49 3.0 8.3 1.0 CE1 A:HIS62 3.0 7.9 1.0 C4D A:HEM803 3.0 8.6 1.0 CD2 A:HIS62 3.0 7.6 1.0 C1C A:HEM803 3.0 7.2 1.0 C4C A:HEM803 3.0 7.2 1.0 C1B A:HEM803 3.0 7.3 1.0 C4B A:HEM803 3.0 7.4 1.0 C1A A:HEM803 3.0 8.1 1.0 C1D A:HEM803 3.0 7.2 1.0 C4A A:HEM803 3.0 7.4 1.0 CD2 A:HIS49 3.0 8.1 1.0 CHD A:HEM803 3.4 7.8 1.0 CHC A:HEM803 3.4 7.1 1.0 CHB A:HEM803 3.4 7.4 1.0 CHA A:HEM803 3.4 8.3 1.0 ND1 A:HIS62 4.1 8.2 1.0 ND1 A:HIS49 4.1 8.4 1.0 CG A:HIS62 4.2 8.0 1.0 CG A:HIS49 4.2 8.1 1.0 O A:HOH1022 4.2 11.0 1.0 C2B A:HEM803 4.2 7.7 1.0 C2D A:HEM803 4.3 8.2 1.0 C2A A:HEM803 4.3 9.1 1.0 C3C A:HEM803 4.3 7.6 1.0 C3A A:HEM803 4.3 8.4 1.0 C3D A:HEM803 4.3 8.9 1.0 C2C A:HEM803 4.3 7.0 1.0 C3B A:HEM803 4.3 7.3 1.0

D.Leys, T.E.Meyer, A.I.Tsapin, K.H.Nealson, M.A.Cusanovich, J.J.Van Beeumen. Crystal Structures at Atomic Resolution Reveal the Novel Concept of 'Electron-Harvesting' As A Role For the Small Tetraheme Cytochrome C J.Biol.Chem. V. 277 35703 2002.
ISSN: ISSN 0021-9258
PubMed: 12080059
DOI: 10.1074/JBC.M203866200